smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccccc1CCNc1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823647471 946459966 /nfs/dbraw/zinc/45/99/66/946459966.db2.gz KHSSINMIGXZDEG-UHFFFAOYSA-N -1 3 346.297 2.708 20 5 EFBDHM O=[N+]([O-])c1ccccc1CCNc1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823647471 946459973 /nfs/dbraw/zinc/45/99/73/946459973.db2.gz KHSSINMIGXZDEG-UHFFFAOYSA-N -1 3 346.297 2.708 20 5 EFBDHM CCN(Cc1ccc(Br)cc1[N+](=O)[O-])[C@@H](C)C(=O)[O-] ZINC000707972086 954989569 /nfs/dbraw/zinc/98/95/69/954989569.db2.gz LQGGZFQHXOFGHU-QMMMGPOBSA-N -1 3 331.166 2.652 20 5 EFBDHM CCCN(CC(=O)[O-])Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000158810675 959100650 /nfs/dbraw/zinc/10/06/50/959100650.db2.gz XGYXGTGKKZUTBX-UHFFFAOYSA-N -1 3 331.166 2.654 20 5 EFBDHM C[C@H](CN(C)Cc1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-] ZINC000162334491 959209442 /nfs/dbraw/zinc/20/94/42/959209442.db2.gz WCTHNASEPIOARS-MRVPVSSYSA-N -1 3 331.166 2.510 20 5 EFBDHM CC[C@H](C)N[C@H](CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccco1 ZINC001594994710 982881665 /nfs/dbraw/zinc/88/16/65/982881665.db2.gz PSWQOWXUTHEVND-CMPLNLGQSA-N -1 3 348.359 2.822 20 5 EFBDHM CC(C)[C@@H]1CCCN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001591088076 991617148 /nfs/dbraw/zinc/61/71/48/991617148.db2.gz XHFOZIQGPTVHAA-CQSZACIVSA-N -1 3 336.388 2.926 20 5 EFBDHM CC(C)N1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)C1 ZINC001591622560 992889140 /nfs/dbraw/zinc/88/91/40/992889140.db2.gz FGYZZMHOOFXSHJ-SECBINFHSA-N -1 3 327.768 2.841 20 5 EFBDHM C[C@]1(C(=O)[O-])CCCN(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC001593779371 996489337 /nfs/dbraw/zinc/48/93/37/996489337.db2.gz YJISWRHRMJTLKN-KRWDZBQOSA-N -1 3 344.371 2.603 20 5 EFBDHM COC[C@@](C)(CC(=O)[O-])NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001599149518 998270930 /nfs/dbraw/zinc/27/09/30/998270930.db2.gz ILRCYEQSWKJIHH-QGZVFWFLSA-N -1 3 348.355 2.824 20 5 EFBDHM COC[C@@](C)(CC(=O)[O-])NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001599149990 998279695 /nfs/dbraw/zinc/27/96/95/998279695.db2.gz WGZXBCZEYNGPEN-QGZVFWFLSA-N -1 3 348.355 2.824 20 5 EFBDHM CC(C)c1c[nH]c(Sc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)n1 ZINC001574404068 1087995818 /nfs/dbraw/zinc/99/58/18/1087995818.db2.gz YHTATHMJMOZEJU-UHFFFAOYSA-N -1 3 331.361 2.773 20 5 EFBDHM CC(C)c1c[nH]c(Sc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)n1 ZINC001574404068 1087995835 /nfs/dbraw/zinc/99/58/35/1087995835.db2.gz YHTATHMJMOZEJU-UHFFFAOYSA-N -1 3 331.361 2.773 20 5 EFBDHM CC1(C)CCC[C@H](CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001575674884 1088623787 /nfs/dbraw/zinc/62/37/87/1088623787.db2.gz WNCFUKYSRVRHLO-JTQLQIEISA-N -1 3 331.380 2.798 20 5 EFBDHM CC1(C)CCC[C@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001575674884 1088623796 /nfs/dbraw/zinc/62/37/96/1088623796.db2.gz WNCFUKYSRVRHLO-JTQLQIEISA-N -1 3 331.380 2.798 20 5 EFBDHM COCc1csc(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c1 ZINC001579838419 1090700134 /nfs/dbraw/zinc/70/01/34/1090700134.db2.gz IIZJFONOJJCUBV-UHFFFAOYSA-N -1 3 346.372 2.595 20 5 EFBDHM COCc1csc(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c1 ZINC001579838419 1090700137 /nfs/dbraw/zinc/70/01/37/1090700137.db2.gz IIZJFONOJJCUBV-UHFFFAOYSA-N -1 3 346.372 2.595 20 5 EFBDHM COc1ccc([N+](=O)[O-])c(OCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC001580049789 1090755761 /nfs/dbraw/zinc/75/57/61/1090755761.db2.gz RYHUJNJEWPZUJX-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1ccc([N+](=O)[O-])c(OCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC001580049789 1090755766 /nfs/dbraw/zinc/75/57/66/1090755766.db2.gz RYHUJNJEWPZUJX-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C(=O)Oc1cccc([N+](=O)[O-])c1 ZINC001580610244 1090965885 /nfs/dbraw/zinc/96/58/85/1090965885.db2.gz GAWMEJYJWCZKAS-UHFFFAOYSA-N -1 3 339.311 2.611 20 5 EFBDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C(=O)Oc1cccc([N+](=O)[O-])c1 ZINC001580610244 1090965887 /nfs/dbraw/zinc/96/58/87/1090965887.db2.gz GAWMEJYJWCZKAS-UHFFFAOYSA-N -1 3 339.311 2.611 20 5 EFBDHM Cc1cc(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])cc(Cl)n1 ZINC001580928361 1091043921 /nfs/dbraw/zinc/04/39/21/1091043921.db2.gz FAZQMVYUQIMHLQ-UHFFFAOYSA-N -1 3 345.750 2.744 20 5 EFBDHM Cc1cc(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])cc(Cl)n1 ZINC001580928361 1091043927 /nfs/dbraw/zinc/04/39/27/1091043927.db2.gz FAZQMVYUQIMHLQ-UHFFFAOYSA-N -1 3 345.750 2.744 20 5 EFBDHM Cc1cc(N[C@H](C)c2cccc([N+](=O)[O-])c2)ncc1-c1nnn[n-]1 ZINC001580994477 1091058410 /nfs/dbraw/zinc/05/84/10/1091058410.db2.gz WADJEBNFOJNKSR-SNVBAGLBSA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1cc(N[C@H](C)c2cccc([N+](=O)[O-])c2)ncc1-c1nn[n-]n1 ZINC001580994477 1091058417 /nfs/dbraw/zinc/05/84/17/1091058417.db2.gz WADJEBNFOJNKSR-SNVBAGLBSA-N -1 3 325.332 2.651 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(NCCC[C@H]2C=CCC2)c1-c1nnn[n-]1 ZINC001581909862 1091333876 /nfs/dbraw/zinc/33/38/76/1091333876.db2.gz YCAPTHCMRNQNRI-JTQLQIEISA-N -1 3 329.364 2.515 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(NCCC[C@H]2C=CCC2)c1-c1nn[n-]n1 ZINC001581909862 1091333889 /nfs/dbraw/zinc/33/38/89/1091333889.db2.gz YCAPTHCMRNQNRI-JTQLQIEISA-N -1 3 329.364 2.515 20 5 EFBDHM O=[N+]([O-])c1ccc(CCNc2cc(F)cc(-c3nnn[n-]3)c2)cc1 ZINC001582804230 1091669073 /nfs/dbraw/zinc/66/90/73/1091669073.db2.gz OCOQUGUMXGIMCM-UHFFFAOYSA-N -1 3 328.307 2.569 20 5 EFBDHM O=[N+]([O-])c1ccc(CCNc2cc(F)cc(-c3nn[n-]n3)c2)cc1 ZINC001582804230 1091669079 /nfs/dbraw/zinc/66/90/79/1091669079.db2.gz OCOQUGUMXGIMCM-UHFFFAOYSA-N -1 3 328.307 2.569 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NC[C@H]1CCC=CCCC1 ZINC001582803650 1091669180 /nfs/dbraw/zinc/66/91/80/1091669180.db2.gz PGCOUIVPVXUQLV-NSHDSACASA-N -1 3 329.364 2.718 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NC[C@H]1CCC=CCCC1 ZINC001582803650 1091669185 /nfs/dbraw/zinc/66/91/85/1091669185.db2.gz PGCOUIVPVXUQLV-NSHDSACASA-N -1 3 329.364 2.718 20 5 EFBDHM CC(C)(C)C(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC1 ZINC001104392795 1092309595 /nfs/dbraw/zinc/30/95/95/1092309595.db2.gz YJLWPMFPNRYBFE-UHFFFAOYSA-N -1 3 336.392 2.582 20 5 EFBDHM CC(=O)c1sccc1OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001588924372 1093012867 /nfs/dbraw/zinc/01/28/67/1093012867.db2.gz LKIDNWSDFDENLQ-UHFFFAOYSA-N -1 3 345.340 2.618 20 5 EFBDHM CC(=O)c1sccc1OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001588924372 1093012873 /nfs/dbraw/zinc/01/28/73/1093012873.db2.gz LKIDNWSDFDENLQ-UHFFFAOYSA-N -1 3 345.340 2.618 20 5 EFBDHM CC(=O)c1sccc1OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001588924473 1093013522 /nfs/dbraw/zinc/01/35/22/1093013522.db2.gz QQVHHXWYABWLTR-UHFFFAOYSA-N -1 3 345.340 2.618 20 5 EFBDHM CC(=O)c1sccc1OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001588924473 1093013530 /nfs/dbraw/zinc/01/35/30/1093013530.db2.gz QQVHHXWYABWLTR-UHFFFAOYSA-N -1 3 345.340 2.618 20 5 EFBDHM CC(C)(C)C(C)(C)CNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001589086023 1093028017 /nfs/dbraw/zinc/02/80/17/1093028017.db2.gz PBDRFSNSJWVIFI-UHFFFAOYSA-N -1 3 333.396 2.841 20 5 EFBDHM CC(C)(C)C(C)(C)CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001589086023 1093028023 /nfs/dbraw/zinc/02/80/23/1093028023.db2.gz PBDRFSNSJWVIFI-UHFFFAOYSA-N -1 3 333.396 2.841 20 5 EFBDHM CC(C)(C)c1c[nH]c(Sc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)n1 ZINC001589213833 1093047727 /nfs/dbraw/zinc/04/77/27/1093047727.db2.gz PSCMGEYRDHKBLD-UHFFFAOYSA-N -1 3 345.388 2.947 20 5 EFBDHM CC(C)(C)c1c[nH]c(Sc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)n1 ZINC001589213833 1093047734 /nfs/dbraw/zinc/04/77/34/1093047734.db2.gz PSCMGEYRDHKBLD-UHFFFAOYSA-N -1 3 345.388 2.947 20 5 EFBDHM CC(C)(CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1=CCOCC1 ZINC001589292976 1093066985 /nfs/dbraw/zinc/06/69/85/1093066985.db2.gz LSQPPCWYVANYFB-UHFFFAOYSA-N -1 3 344.375 2.560 20 5 EFBDHM CC(C)(CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1=CCOCC1 ZINC001589292976 1093066994 /nfs/dbraw/zinc/06/69/94/1093066994.db2.gz LSQPPCWYVANYFB-UHFFFAOYSA-N -1 3 344.375 2.560 20 5 EFBDHM CC(C)(CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C1=CCOCC1 ZINC001589293274 1093068636 /nfs/dbraw/zinc/06/86/36/1093068636.db2.gz SXOZBNWWWOOZNV-UHFFFAOYSA-N -1 3 344.375 2.560 20 5 EFBDHM CC(C)(CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C1=CCOCC1 ZINC001589293274 1093068646 /nfs/dbraw/zinc/06/86/46/1093068646.db2.gz SXOZBNWWWOOZNV-UHFFFAOYSA-N -1 3 344.375 2.560 20 5 EFBDHM CC(C)(Cc1ccc(-c2nnn[n-]2)cc1)Nc1ccc([N+](=O)[O-])cn1 ZINC001589307013 1093071304 /nfs/dbraw/zinc/07/13/04/1093071304.db2.gz BPNYKPQHESPINB-UHFFFAOYSA-N -1 3 339.359 2.603 20 5 EFBDHM CC(C)(Cc1ccc(-c2nn[n-]n2)cc1)Nc1ccc([N+](=O)[O-])cn1 ZINC001589307013 1093071311 /nfs/dbraw/zinc/07/13/11/1093071311.db2.gz BPNYKPQHESPINB-UHFFFAOYSA-N -1 3 339.359 2.603 20 5 EFBDHM CC(C)[C@@]1(C)C[C@@H]1C(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589491318 1093092663 /nfs/dbraw/zinc/09/26/63/1093092663.db2.gz RISUIADTPQDQKM-MLGOLLRUSA-N -1 3 345.359 2.500 20 5 EFBDHM CC(C)[C@@]1(C)C[C@@H]1C(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589491318 1093092670 /nfs/dbraw/zinc/09/26/70/1093092670.db2.gz RISUIADTPQDQKM-MLGOLLRUSA-N -1 3 345.359 2.500 20 5 EFBDHM CC(C)[C@H]1N(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC12CCC2 ZINC001589520306 1093101651 /nfs/dbraw/zinc/10/16/51/1093101651.db2.gz SQGZDTZJNAEPCW-CQSZACIVSA-N -1 3 328.376 2.790 20 5 EFBDHM CC(C)[C@H]1N(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC12CCC2 ZINC001589520306 1093101654 /nfs/dbraw/zinc/10/16/54/1093101654.db2.gz SQGZDTZJNAEPCW-CQSZACIVSA-N -1 3 328.376 2.790 20 5 EFBDHM CC(C)C[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CCO1 ZINC001589571229 1093107978 /nfs/dbraw/zinc/10/79/78/1093107978.db2.gz GZYNXTCZSGHYQM-QWHCGFSZSA-N -1 3 346.391 2.781 20 5 EFBDHM C[C@@H](CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccccn1 ZINC001589875749 1093162316 /nfs/dbraw/zinc/16/23/16/1093162316.db2.gz JGLQOOYODUYLJE-VIFPVBQESA-N -1 3 343.322 2.525 20 5 EFBDHM C[C@@H](CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccccn1 ZINC001589875749 1093162318 /nfs/dbraw/zinc/16/23/18/1093162318.db2.gz JGLQOOYODUYLJE-VIFPVBQESA-N -1 3 343.322 2.525 20 5 EFBDHM C[C@]1(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)C=CCC1 ZINC001590069118 1093249989 /nfs/dbraw/zinc/24/99/89/1093249989.db2.gz HOGPJMYRHBKPOF-AWEZNQCLSA-N -1 3 348.750 2.723 20 5 EFBDHM C[C@]1(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)C=CCC1 ZINC001590069118 1093249996 /nfs/dbraw/zinc/24/99/96/1093249996.db2.gz HOGPJMYRHBKPOF-AWEZNQCLSA-N -1 3 348.750 2.723 20 5 EFBDHM CC1(C)C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCS1 ZINC001590084079 1093258053 /nfs/dbraw/zinc/25/80/53/1093258053.db2.gz UHZSXBMLLAEFGW-VIFPVBQESA-N -1 3 334.405 2.861 20 5 EFBDHM CC1(C)C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCS1 ZINC001590084079 1093258059 /nfs/dbraw/zinc/25/80/59/1093258059.db2.gz UHZSXBMLLAEFGW-VIFPVBQESA-N -1 3 334.405 2.861 20 5 EFBDHM CC1(C)CCC(Nc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)CC1 ZINC001590090679 1093262532 /nfs/dbraw/zinc/26/25/32/1093262532.db2.gz PVUYVIJCVKGUJQ-UHFFFAOYSA-N -1 3 331.380 2.738 20 5 EFBDHM CC1(C)CCC(Nc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)CC1 ZINC001590090679 1093262535 /nfs/dbraw/zinc/26/25/35/1093262535.db2.gz PVUYVIJCVKGUJQ-UHFFFAOYSA-N -1 3 331.380 2.738 20 5 EFBDHM CC1(C)CCC[C@@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001590095424 1093267551 /nfs/dbraw/zinc/26/75/51/1093267551.db2.gz YQWIPZBVCGLDII-SECBINFHSA-N -1 3 331.380 2.738 20 5 EFBDHM CC1(C)CCC[C@@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001590095424 1093267557 /nfs/dbraw/zinc/26/75/57/1093267557.db2.gz YQWIPZBVCGLDII-SECBINFHSA-N -1 3 331.380 2.738 20 5 EFBDHM C[C@@H]1CC(CCNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC001590190065 1093298835 /nfs/dbraw/zinc/29/88/35/1093298835.db2.gz NWCFSUODDNGNIU-GHMZBOCLSA-N -1 3 346.391 2.781 20 5 EFBDHM C[C@@H]1CC(CCNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC001590190065 1093298840 /nfs/dbraw/zinc/29/88/40/1093298840.db2.gz NWCFSUODDNGNIU-GHMZBOCLSA-N -1 3 346.391 2.781 20 5 EFBDHM C[C@H]1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC12CCC2 ZINC001590274461 1093356878 /nfs/dbraw/zinc/35/68/78/1093356878.db2.gz LJSGGNASPRQUGC-NSHDSACASA-N -1 3 328.376 2.791 20 5 EFBDHM C[C@@H]1c2ccsc2CCN1c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001590336416 1093381606 /nfs/dbraw/zinc/38/16/06/1093381606.db2.gz CZWPDCNSLYRUPU-SECBINFHSA-N -1 3 342.384 2.960 20 5 EFBDHM C[C@@H]1c2ccsc2CCN1c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001590336416 1093381614 /nfs/dbraw/zinc/38/16/14/1093381614.db2.gz CZWPDCNSLYRUPU-SECBINFHSA-N -1 3 342.384 2.960 20 5 EFBDHM CC[C@H](CC(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(C)C ZINC001590421950 1093415314 /nfs/dbraw/zinc/41/53/14/1093415314.db2.gz BHOXKNUMHPCHAJ-LLVKDONJSA-N -1 3 347.375 2.890 20 5 EFBDHM CC[C@H](CC(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(C)C ZINC001590421950 1093415319 /nfs/dbraw/zinc/41/53/19/1093415319.db2.gz BHOXKNUMHPCHAJ-LLVKDONJSA-N -1 3 347.375 2.890 20 5 EFBDHM CC[C@@H](CC(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(C)C ZINC001590421952 1093416185 /nfs/dbraw/zinc/41/61/85/1093416185.db2.gz BHOXKNUMHPCHAJ-NSHDSACASA-N -1 3 347.375 2.890 20 5 EFBDHM CC[C@@H](CC(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(C)C ZINC001590421952 1093416189 /nfs/dbraw/zinc/41/61/89/1093416189.db2.gz BHOXKNUMHPCHAJ-NSHDSACASA-N -1 3 347.375 2.890 20 5 EFBDHM CCC(CC)(CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-])SC ZINC001590428520 1093418280 /nfs/dbraw/zinc/41/82/80/1093418280.db2.gz HURIJWKJYUFAGG-UHFFFAOYSA-N -1 3 337.409 2.504 20 5 EFBDHM CCC(CC)(CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-])SC ZINC001590428520 1093418287 /nfs/dbraw/zinc/41/82/87/1093418287.db2.gz HURIJWKJYUFAGG-UHFFFAOYSA-N -1 3 337.409 2.504 20 5 EFBDHM CC[C@@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1ccncc1 ZINC001590473999 1093445970 /nfs/dbraw/zinc/44/59/70/1093445970.db2.gz VGGHPHLTEGCTCE-CYBMUJFWSA-N -1 3 325.332 2.733 20 5 EFBDHM CCC(O)(CC)C(C)(C)CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590474414 1093446419 /nfs/dbraw/zinc/44/64/19/1093446419.db2.gz HWKUZIFDSVIDSR-UHFFFAOYSA-N -1 3 348.407 2.764 20 5 EFBDHM CCC(O)(CC)C(C)(C)CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590474414 1093446421 /nfs/dbraw/zinc/44/64/21/1093446421.db2.gz HWKUZIFDSVIDSR-UHFFFAOYSA-N -1 3 348.407 2.764 20 5 EFBDHM CCCCCN(CCCOC)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590596566 1093505393 /nfs/dbraw/zinc/50/53/93/1093505393.db2.gz NNTVFOFUHNUILO-UHFFFAOYSA-N -1 3 348.407 2.808 20 5 EFBDHM CCCN(c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)C1CC1 ZINC001590632217 1093527081 /nfs/dbraw/zinc/52/70/81/1093527081.db2.gz HRWBRAYHCFUROP-UHFFFAOYSA-N -1 3 339.359 2.702 20 5 EFBDHM CCCN(c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)C1CC1 ZINC001590632217 1093527089 /nfs/dbraw/zinc/52/70/89/1093527089.db2.gz HRWBRAYHCFUROP-UHFFFAOYSA-N -1 3 339.359 2.702 20 5 EFBDHM CCCc1nnc(Sc2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)o1 ZINC001590660683 1093532759 /nfs/dbraw/zinc/53/27/59/1093532759.db2.gz KMMQERAKYCHVRZ-UHFFFAOYSA-N -1 3 347.360 2.570 20 5 EFBDHM CCCc1nnc(Sc2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)o1 ZINC001590660683 1093532766 /nfs/dbraw/zinc/53/27/66/1093532766.db2.gz KMMQERAKYCHVRZ-UHFFFAOYSA-N -1 3 347.360 2.570 20 5 EFBDHM CCc1ccc(Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1C ZINC001590891077 1093619028 /nfs/dbraw/zinc/61/90/28/1093619028.db2.gz CWUHRIUYTIOFAL-UHFFFAOYSA-N -1 3 325.332 2.784 20 5 EFBDHM CCc1ccc(Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1C ZINC001590891077 1093619044 /nfs/dbraw/zinc/61/90/44/1093619044.db2.gz CWUHRIUYTIOFAL-UHFFFAOYSA-N -1 3 325.332 2.784 20 5 EFBDHM CCc1ccccc1CNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001590897434 1093623070 /nfs/dbraw/zinc/62/30/70/1093623070.db2.gz CZQVHNKXBCOBRH-UHFFFAOYSA-N -1 3 339.359 2.532 20 5 EFBDHM CCc1ccccc1CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001590897434 1093623072 /nfs/dbraw/zinc/62/30/72/1093623072.db2.gz CZQVHNKXBCOBRH-UHFFFAOYSA-N -1 3 339.359 2.532 20 5 EFBDHM CN(Cc1c(F)cccc1F)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001591127036 1093665384 /nfs/dbraw/zinc/66/53/84/1093665384.db2.gz SWECQKKUFTZBOW-UHFFFAOYSA-N -1 3 346.297 2.690 20 5 EFBDHM CN(Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591140031 1093670709 /nfs/dbraw/zinc/67/07/09/1093670709.db2.gz JWZCHWBLYVWJGK-UHFFFAOYSA-N -1 3 328.307 2.550 20 5 EFBDHM CN(Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591140031 1093670713 /nfs/dbraw/zinc/67/07/13/1093670713.db2.gz JWZCHWBLYVWJGK-UHFFFAOYSA-N -1 3 328.307 2.550 20 5 EFBDHM CN(c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)C1CC(OC(C)(C)C)C1 ZINC001591154737 1093675907 /nfs/dbraw/zinc/67/59/07/1093675907.db2.gz HKGBVRIETQKDMQ-UHFFFAOYSA-N -1 3 346.391 2.557 20 5 EFBDHM CNc1ccc([N+](=O)[O-])cc1N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001591222908 1093679457 /nfs/dbraw/zinc/67/94/57/1093679457.db2.gz BSGHXONTEKWIEF-SNVBAGLBSA-N -1 3 339.359 2.990 20 5 EFBDHM CNc1ccc([N+](=O)[O-])cc1N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001591222908 1093679461 /nfs/dbraw/zinc/67/94/61/1093679461.db2.gz BSGHXONTEKWIEF-SNVBAGLBSA-N -1 3 339.359 2.990 20 5 EFBDHM CO[C@@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])c1ccccc1 ZINC001591329298 1093694081 /nfs/dbraw/zinc/69/40/81/1093694081.db2.gz OJIDYBUJBPSTIZ-AWEZNQCLSA-N -1 3 340.343 2.575 20 5 EFBDHM CO[C@@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])c1ccccc1 ZINC001591329298 1093694084 /nfs/dbraw/zinc/69/40/84/1093694084.db2.gz OJIDYBUJBPSTIZ-AWEZNQCLSA-N -1 3 340.343 2.575 20 5 EFBDHM CO[C@H](CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC001591329343 1093694102 /nfs/dbraw/zinc/69/41/02/1093694102.db2.gz PGYHMAZUMYCYGB-OAHLLOKOSA-N -1 3 346.391 2.782 20 5 EFBDHM COC1CCC(CNc2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001591351700 1093702512 /nfs/dbraw/zinc/70/25/12/1093702512.db2.gz XHRFGWGHNKTFFU-UHFFFAOYSA-N -1 3 346.391 2.700 20 5 EFBDHM COC1CCC(CNc2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001591351700 1093702517 /nfs/dbraw/zinc/70/25/17/1093702517.db2.gz XHRFGWGHNKTFFU-UHFFFAOYSA-N -1 3 346.391 2.700 20 5 EFBDHM COCCC1(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CCCC1 ZINC001591400937 1093714177 /nfs/dbraw/zinc/71/41/77/1093714177.db2.gz HVTNXRLILXRKMW-UHFFFAOYSA-N -1 3 346.391 2.784 20 5 EFBDHM COCCC1(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CCCC1 ZINC001591400937 1093714182 /nfs/dbraw/zinc/71/41/82/1093714182.db2.gz HVTNXRLILXRKMW-UHFFFAOYSA-N -1 3 346.391 2.784 20 5 EFBDHM COCc1cccc(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c1 ZINC001591457867 1093727278 /nfs/dbraw/zinc/72/72/78/1093727278.db2.gz SEEJPEAJATWJAH-UHFFFAOYSA-N -1 3 340.343 2.533 20 5 EFBDHM COCc1cccc(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c1 ZINC001591457867 1093727282 /nfs/dbraw/zinc/72/72/82/1093727282.db2.gz SEEJPEAJATWJAH-UHFFFAOYSA-N -1 3 340.343 2.533 20 5 EFBDHM COc1cc(C)ccc1CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001591520881 1093749226 /nfs/dbraw/zinc/74/92/26/1093749226.db2.gz BAXOOQVMQZHKSL-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM COc1cc(C)ccc1CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591520881 1093749230 /nfs/dbraw/zinc/74/92/30/1093749230.db2.gz BAXOOQVMQZHKSL-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM COc1cc(COc2cc(F)cc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC001591539792 1093758800 /nfs/dbraw/zinc/75/88/00/1093758800.db2.gz XXUVPEASZDNRPP-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1cc(COc2cc(F)cc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC001591539792 1093758804 /nfs/dbraw/zinc/75/88/04/1093758804.db2.gz XXUVPEASZDNRPP-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1ccc(Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])cc1OC ZINC001591617488 1093799689 /nfs/dbraw/zinc/79/96/89/1093799689.db2.gz NOXXRIOKUFYKBY-UHFFFAOYSA-N -1 3 342.315 2.536 20 5 EFBDHM COc1ccc(Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])cc1OC ZINC001591617488 1093799695 /nfs/dbraw/zinc/79/96/95/1093799695.db2.gz NOXXRIOKUFYKBY-UHFFFAOYSA-N -1 3 342.315 2.536 20 5 EFBDHM COc1ccc([N+](=O)[O-])cc1O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001591622768 1093804261 /nfs/dbraw/zinc/80/42/61/1093804261.db2.gz BPQPAXZYOLELOP-JTQLQIEISA-N -1 3 341.327 2.924 20 5 EFBDHM COc1ccc([N+](=O)[O-])cc1O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001591622768 1093804264 /nfs/dbraw/zinc/80/42/64/1093804264.db2.gz BPQPAXZYOLELOP-JTQLQIEISA-N -1 3 341.327 2.924 20 5 EFBDHM COc1cccc(F)c1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591640988 1093813061 /nfs/dbraw/zinc/81/30/61/1093813061.db2.gz SNUODTXGABGLOC-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM COc1cccc(F)c1CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591640988 1093813064 /nfs/dbraw/zinc/81/30/64/1093813064.db2.gz SNUODTXGABGLOC-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM COc1cccc(CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001591639895 1093813270 /nfs/dbraw/zinc/81/32/70/1093813270.db2.gz XJZDYVSCPPFHQX-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM COc1cccc(CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001591639895 1093813275 /nfs/dbraw/zinc/81/32/75/1093813275.db2.gz XJZDYVSCPPFHQX-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(Cl)cn1 ZINC001591771062 1093854278 /nfs/dbraw/zinc/85/42/78/1093854278.db2.gz UAKCXHUNMVANGK-QMMMGPOBSA-N -1 3 345.750 2.996 20 5 EFBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc(Cl)cn1 ZINC001591771062 1093854283 /nfs/dbraw/zinc/85/42/83/1093854283.db2.gz UAKCXHUNMVANGK-QMMMGPOBSA-N -1 3 345.750 2.996 20 5 EFBDHM Cc1cc(-c2nnn[n-]2)cc(NC[C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC001591858134 1093896239 /nfs/dbraw/zinc/89/62/39/1093896239.db2.gz NJUMKWSWMVRJHE-JTQLQIEISA-N -1 3 339.359 2.694 20 5 EFBDHM Cc1cc(-c2nn[n-]n2)cc(NC[C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC001591858134 1093896246 /nfs/dbraw/zinc/89/62/46/1093896246.db2.gz NJUMKWSWMVRJHE-JTQLQIEISA-N -1 3 339.359 2.694 20 5 EFBDHM Cc1cc(-c2nnn[n-]2)ccc1COc1cc(F)cc([N+](=O)[O-])c1 ZINC001591868940 1093904429 /nfs/dbraw/zinc/90/44/29/1093904429.db2.gz DOZPFJGVHXTCTK-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1cc(-c2nn[n-]n2)ccc1COc1cc(F)cc([N+](=O)[O-])c1 ZINC001591868940 1093904434 /nfs/dbraw/zinc/90/44/34/1093904434.db2.gz DOZPFJGVHXTCTK-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1cc(F)c(-c2nnn[n-]2)c(NCc2ccc([N+](=O)[O-])cc2)c1 ZINC001591979614 1093945183 /nfs/dbraw/zinc/94/51/83/1093945183.db2.gz XZMYPAQVBHVAPA-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM Cc1cc(F)c(-c2nn[n-]n2)c(NCc2ccc([N+](=O)[O-])cc2)c1 ZINC001591979614 1093945190 /nfs/dbraw/zinc/94/51/90/1093945190.db2.gz XZMYPAQVBHVAPA-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM Cc1cc(F)ccc1CCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001591992843 1093949968 /nfs/dbraw/zinc/94/99/68/1093949968.db2.gz WVOJYCYLUILWDA-UHFFFAOYSA-N -1 3 342.334 2.877 20 5 EFBDHM Cc1cc(F)ccc1CCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591992843 1093949971 /nfs/dbraw/zinc/94/99/71/1093949971.db2.gz WVOJYCYLUILWDA-UHFFFAOYSA-N -1 3 342.334 2.877 20 5 EFBDHM Cc1cc(N2CC[C@@H](CC(C)C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592000817 1093951294 /nfs/dbraw/zinc/95/12/94/1093951294.db2.gz ZBKNVCWHMAODAX-LBPRGKRZSA-N -1 3 330.392 2.956 20 5 EFBDHM Cc1cc(N2CC[C@@H](CC(C)C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592000817 1093951297 /nfs/dbraw/zinc/95/12/97/1093951297.db2.gz ZBKNVCWHMAODAX-LBPRGKRZSA-N -1 3 330.392 2.956 20 5 EFBDHM Cc1cc(N(C)Cc2ccccc2F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591997032 1093951505 /nfs/dbraw/zinc/95/15/05/1093951505.db2.gz XFZBJMXXMCSUAG-UHFFFAOYSA-N -1 3 342.334 2.859 20 5 EFBDHM Cc1cc(N(C)Cc2ccccc2F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591997032 1093951507 /nfs/dbraw/zinc/95/15/07/1093951507.db2.gz XFZBJMXXMCSUAG-UHFFFAOYSA-N -1 3 342.334 2.859 20 5 EFBDHM Cc1cc(N2CCC(F)(F)[C@H](C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592001159 1093952079 /nfs/dbraw/zinc/95/20/79/1093952079.db2.gz PYLCLNHGZKETLP-SECBINFHSA-N -1 3 338.318 2.565 20 5 EFBDHM Cc1cc(N2CCC(F)(F)[C@H](C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592001159 1093952081 /nfs/dbraw/zinc/95/20/81/1093952081.db2.gz PYLCLNHGZKETLP-SECBINFHSA-N -1 3 338.318 2.565 20 5 EFBDHM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2C)cc(-c2nnn[n-]2)c1 ZINC001592031202 1093961126 /nfs/dbraw/zinc/96/11/26/1093961126.db2.gz HKQROSRFDQKUFJ-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2C)cc(-c2nn[n-]n2)c1 ZINC001592031202 1093961130 /nfs/dbraw/zinc/96/11/30/1093961130.db2.gz HKQROSRFDQKUFJ-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM Cc1cc(NC[C@](C)(O)CCC(C)C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592038508 1093963539 /nfs/dbraw/zinc/96/35/39/1093963539.db2.gz HMPQMRBFLIRGFO-MRXNPFEDSA-N -1 3 348.407 2.682 20 5 EFBDHM Cc1cc(NC[C@](C)(O)CCC(C)C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592038508 1093963543 /nfs/dbraw/zinc/96/35/43/1093963543.db2.gz HMPQMRBFLIRGFO-MRXNPFEDSA-N -1 3 348.407 2.682 20 5 EFBDHM Cc1cc(NCc2ccc(-c3nnn[n-]3)c(Cl)c2)ncc1[N+](=O)[O-] ZINC001592052244 1093967724 /nfs/dbraw/zinc/96/77/24/1093967724.db2.gz FPOFKXJACYNQSD-UHFFFAOYSA-N -1 3 345.750 2.744 20 5 EFBDHM Cc1cc(NCc2ccc(-c3nn[n-]n3)c(Cl)c2)ncc1[N+](=O)[O-] ZINC001592052244 1093967726 /nfs/dbraw/zinc/96/77/26/1093967726.db2.gz FPOFKXJACYNQSD-UHFFFAOYSA-N -1 3 345.750 2.744 20 5 EFBDHM Cc1cc(OCc2ccc([N+](=O)[O-])cc2F)ccc1-c1nn[n-]n1 ZINC001592060114 1093971233 /nfs/dbraw/zinc/97/12/33/1093971233.db2.gz XUIQGSOUJABSEC-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1cc(Oc2ccc([N+](=O)[O-])c(F)c2F)c(-c2nnn[n-]2)cn1 ZINC001592062329 1093972118 /nfs/dbraw/zinc/97/21/18/1093972118.db2.gz HQAYPJGFKLKIID-UHFFFAOYSA-N -1 3 334.242 2.549 20 5 EFBDHM Cc1cc(Oc2ccc([N+](=O)[O-])c(F)c2F)c(-c2nn[n-]n2)cn1 ZINC001592062329 1093972120 /nfs/dbraw/zinc/97/21/20/1093972120.db2.gz HQAYPJGFKLKIID-UHFFFAOYSA-N -1 3 334.242 2.549 20 5 EFBDHM Cc1ccc([C@@H](C)CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC001592135919 1093993454 /nfs/dbraw/zinc/99/34/54/1093993454.db2.gz YXOBVOWOLSPJCT-NSHDSACASA-N -1 3 339.359 2.694 20 5 EFBDHM Cc1ccc([C@@H](C)CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC001592135919 1093993457 /nfs/dbraw/zinc/99/34/57/1093993457.db2.gz YXOBVOWOLSPJCT-NSHDSACASA-N -1 3 339.359 2.694 20 5 EFBDHM Cc1ccc([C@@H](C)Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])s1 ZINC001592136291 1093993502 /nfs/dbraw/zinc/99/35/02/1093993502.db2.gz ZZDIILJURZYIDH-MRVPVSSYSA-N -1 3 331.361 2.713 20 5 EFBDHM Cc1ccc([C@@H](C)Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])s1 ZINC001592136291 1093993507 /nfs/dbraw/zinc/99/35/07/1093993507.db2.gz ZZDIILJURZYIDH-MRVPVSSYSA-N -1 3 331.361 2.713 20 5 EFBDHM Cc1ccc(SCc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])nc1 ZINC001592198171 1094025491 /nfs/dbraw/zinc/02/54/91/1094025491.db2.gz NQUVFPNMXDZDTM-UHFFFAOYSA-N -1 3 328.357 2.771 20 5 EFBDHM Cc1ccc(SCc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])nc1 ZINC001592198171 1094025496 /nfs/dbraw/zinc/02/54/96/1094025496.db2.gz NQUVFPNMXDZDTM-UHFFFAOYSA-N -1 3 328.357 2.771 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1OC(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC001592197680 1094025788 /nfs/dbraw/zinc/02/57/88/1094025788.db2.gz PNLLKHANYMVCCT-UHFFFAOYSA-N -1 3 339.311 2.611 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1OC(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC001592197680 1094025795 /nfs/dbraw/zinc/02/57/95/1094025795.db2.gz PNLLKHANYMVCCT-UHFFFAOYSA-N -1 3 339.311 2.611 20 5 EFBDHM Cc1cccc(CCCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)n1 ZINC001592228990 1094039036 /nfs/dbraw/zinc/03/90/36/1094039036.db2.gz QSKNFICETOGWNG-UHFFFAOYSA-N -1 3 339.359 2.523 20 5 EFBDHM Cc1cccc(CCCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)n1 ZINC001592228990 1094039044 /nfs/dbraw/zinc/03/90/44/1094039044.db2.gz QSKNFICETOGWNG-UHFFFAOYSA-N -1 3 339.359 2.523 20 5 EFBDHM Cc1cccc(OCCOc2cccc(-c3nnn[n-]3)c2)c1[N+](=O)[O-] ZINC001592237919 1094044486 /nfs/dbraw/zinc/04/44/86/1094044486.db2.gz GDRWPWMMSPDKGL-UHFFFAOYSA-N -1 3 341.327 2.541 20 5 EFBDHM Cc1cccc(OCCOc2cccc(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC001592237919 1094044491 /nfs/dbraw/zinc/04/44/91/1094044491.db2.gz GDRWPWMMSPDKGL-UHFFFAOYSA-N -1 3 341.327 2.541 20 5 EFBDHM Cc1ccccc1C1=CCN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001592253575 1094052444 /nfs/dbraw/zinc/05/24/44/1094052444.db2.gz VGIXVVIENNNTJS-UHFFFAOYSA-N -1 3 348.366 2.987 20 5 EFBDHM Cc1ccccc1C1=CCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001592253575 1094052451 /nfs/dbraw/zinc/05/24/51/1094052451.db2.gz VGIXVVIENNNTJS-UHFFFAOYSA-N -1 3 348.366 2.987 20 5 EFBDHM Cc1ccnc(N[C@@H]2CCc3cc(-c4nnn[n-]4)ccc32)c1[N+](=O)[O-] ZINC001592275820 1094061403 /nfs/dbraw/zinc/06/14/03/1094061403.db2.gz TWSPSQAJNXPKLE-CYBMUJFWSA-N -1 3 337.343 2.578 20 5 EFBDHM Cc1ccnc(N[C@@H]2CCc3cc(-c4nn[n-]n4)ccc32)c1[N+](=O)[O-] ZINC001592275820 1094061408 /nfs/dbraw/zinc/06/14/08/1094061408.db2.gz TWSPSQAJNXPKLE-CYBMUJFWSA-N -1 3 337.343 2.578 20 5 EFBDHM Cc1cnc(N(C)[C@H](C)c2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC001592296017 1094070518 /nfs/dbraw/zinc/07/05/18/1094070518.db2.gz VQMRGYIVNXLFLL-LLVKDONJSA-N -1 3 339.359 2.676 20 5 EFBDHM Cc1cnc(N(C)[C@H](C)c2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC001592296017 1094070524 /nfs/dbraw/zinc/07/05/24/1094070524.db2.gz VQMRGYIVNXLFLL-LLVKDONJSA-N -1 3 339.359 2.676 20 5 EFBDHM Cc1nc(SCc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])oc1C ZINC001592399131 1094099231 /nfs/dbraw/zinc/09/92/31/1094099231.db2.gz MFVYLAGAUMMNSY-UHFFFAOYSA-N -1 3 332.345 2.672 20 5 EFBDHM Cc1nc(SCc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])oc1C ZINC001592399131 1094099236 /nfs/dbraw/zinc/09/92/36/1094099236.db2.gz MFVYLAGAUMMNSY-UHFFFAOYSA-N -1 3 332.345 2.672 20 5 EFBDHM Cc1nc(SCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])oc1C ZINC001592399410 1094099616 /nfs/dbraw/zinc/09/96/16/1094099616.db2.gz ROBVIHZYYGSTQK-UHFFFAOYSA-N -1 3 332.345 2.672 20 5 EFBDHM Cc1nc(SCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])oc1C ZINC001592399410 1094099622 /nfs/dbraw/zinc/09/96/22/1094099622.db2.gz ROBVIHZYYGSTQK-UHFFFAOYSA-N -1 3 332.345 2.672 20 5 EFBDHM Cc1ncc([N+](=O)[O-])c(OCc2cccc(-c3nnn[n-]3)c2F)c1C ZINC001592413394 1094102233 /nfs/dbraw/zinc/10/22/33/1094102233.db2.gz SOTHXMYYRFFFTK-UHFFFAOYSA-N -1 3 344.306 2.505 20 5 EFBDHM Cc1ncc([N+](=O)[O-])c(OCc2cccc(-c3nn[n-]n3)c2F)c1C ZINC001592413394 1094102238 /nfs/dbraw/zinc/10/22/38/1094102238.db2.gz SOTHXMYYRFFFTK-UHFFFAOYSA-N -1 3 344.306 2.505 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(Nc2cccc(Cl)c2)c1-c1nnn[n-]1 ZINC001592759269 1094185416 /nfs/dbraw/zinc/18/54/16/1094185416.db2.gz RIYIIRHZTFIJOA-UHFFFAOYSA-N -1 3 331.723 2.754 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(Nc2cccc(Cl)c2)c1-c1nn[n-]n1 ZINC001592759269 1094185419 /nfs/dbraw/zinc/18/54/19/1094185419.db2.gz RIYIIRHZTFIJOA-UHFFFAOYSA-N -1 3 331.723 2.754 20 5 EFBDHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccccc1[N+](=O)[O-] ZINC001593228659 1094246109 /nfs/dbraw/zinc/24/61/09/1094246109.db2.gz ZKTOKFJFTBVGLW-UHFFFAOYSA-N -1 3 344.718 2.681 20 5 EFBDHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccccc1[N+](=O)[O-] ZINC001593228659 1094246114 /nfs/dbraw/zinc/24/61/14/1094246114.db2.gz ZKTOKFJFTBVGLW-UHFFFAOYSA-N -1 3 344.718 2.681 20 5 EFBDHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC001593306791 1094278441 /nfs/dbraw/zinc/27/84/41/1094278441.db2.gz AZDACHYTRAEXHL-UHFFFAOYSA-N -1 3 345.702 2.648 20 5 EFBDHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC001593306791 1094278446 /nfs/dbraw/zinc/27/84/46/1094278446.db2.gz AZDACHYTRAEXHL-UHFFFAOYSA-N -1 3 345.702 2.648 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1CCc2sccc2C1 ZINC001593469250 1094310684 /nfs/dbraw/zinc/31/06/84/1094310684.db2.gz VUZUACVBDKQALC-UHFFFAOYSA-N -1 3 346.347 2.538 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1CCc2sccc2C1 ZINC001593469250 1094310697 /nfs/dbraw/zinc/31/06/97/1094310697.db2.gz VUZUACVBDKQALC-UHFFFAOYSA-N -1 3 346.347 2.538 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@@H](C2CCCC2)C1 ZINC001593468560 1094310716 /nfs/dbraw/zinc/31/07/16/1094310716.db2.gz ONBORSYZMOCAQP-CYBMUJFWSA-N -1 3 328.376 2.791 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@@H](C2CCCC2)C1 ZINC001593468560 1094310725 /nfs/dbraw/zinc/31/07/25/1094310725.db2.gz ONBORSYZMOCAQP-CYBMUJFWSA-N -1 3 328.376 2.791 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC001593467975 1094311521 /nfs/dbraw/zinc/31/15/21/1094311521.db2.gz HKVPAEZORMTSQA-KBXCAEBGSA-N -1 3 348.366 2.553 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC001593467975 1094311532 /nfs/dbraw/zinc/31/15/32/1094311532.db2.gz HKVPAEZORMTSQA-KBXCAEBGSA-N -1 3 348.366 2.553 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1C[C@@H]2CCCC[C@@H]2C1 ZINC001593467693 1094311558 /nfs/dbraw/zinc/31/15/58/1094311558.db2.gz CNWMCAANZJIAIG-AOOOYVTPSA-N -1 3 332.339 2.540 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1C[C@@H]2CCCC[C@@H]2C1 ZINC001593467693 1094311565 /nfs/dbraw/zinc/31/15/65/1094311565.db2.gz CNWMCAANZJIAIG-AOOOYVTPSA-N -1 3 332.339 2.540 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001593468330 1094311600 /nfs/dbraw/zinc/31/16/00/1094311600.db2.gz LYFGZKHZCCXOCX-SECBINFHSA-N -1 3 342.281 2.554 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001593468330 1094311606 /nfs/dbraw/zinc/31/16/06/1094311606.db2.gz LYFGZKHZCCXOCX-SECBINFHSA-N -1 3 342.281 2.554 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCc1cccc2[nH]ccc21 ZINC001593469944 1094313553 /nfs/dbraw/zinc/31/35/53/1094313553.db2.gz DWZKTOVSANKJOB-UHFFFAOYSA-N -1 3 335.327 2.868 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCc1cccc2[nH]ccc21 ZINC001593469944 1094313558 /nfs/dbraw/zinc/31/35/58/1094313558.db2.gz DWZKTOVSANKJOB-UHFFFAOYSA-N -1 3 335.327 2.868 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H]1CCOCC12CCCC2 ZINC001593469846 1094313646 /nfs/dbraw/zinc/31/36/46/1094313646.db2.gz AUJQENZJTYFBDX-AWEZNQCLSA-N -1 3 344.375 2.536 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H]1CCOCC12CCCC2 ZINC001593469846 1094313653 /nfs/dbraw/zinc/31/36/53/1094313653.db2.gz AUJQENZJTYFBDX-AWEZNQCLSA-N -1 3 344.375 2.536 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Nc1ccc2c(c1)CCOC2 ZINC001593471814 1094313808 /nfs/dbraw/zinc/31/38/08/1094313808.db2.gz ZHBLBKXTEDJPKV-UHFFFAOYSA-N -1 3 338.327 2.591 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Nc1ccc2c(c1)CCOC2 ZINC001593471814 1094313819 /nfs/dbraw/zinc/31/38/19/1094313819.db2.gz ZHBLBKXTEDJPKV-UHFFFAOYSA-N -1 3 338.327 2.591 20 5 EFBDHM O=[N+]([O-])c1cc(N2CCC[C@H]2c2ccncc2)ccc1-c1nnn[n-]1 ZINC001593470667 1094315295 /nfs/dbraw/zinc/31/52/95/1094315295.db2.gz HDDYJOCMNDEMOM-AWEZNQCLSA-N -1 3 337.343 2.511 20 5 EFBDHM O=[N+]([O-])c1cc(Cl)cnc1NCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001593470607 1094315429 /nfs/dbraw/zinc/31/54/29/1094315429.db2.gz GLFMPFBEPQQIGX-UHFFFAOYSA-N -1 3 349.713 2.575 20 5 EFBDHM O=[N+]([O-])c1cc(Cl)cnc1NCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001593470607 1094315439 /nfs/dbraw/zinc/31/54/39/1094315439.db2.gz GLFMPFBEPQQIGX-UHFFFAOYSA-N -1 3 349.713 2.575 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001593469460 1094315488 /nfs/dbraw/zinc/31/54/88/1094315488.db2.gz RLZIDWRKQBRSMA-WDEREUQCSA-N -1 3 346.366 2.931 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001593469460 1094315493 /nfs/dbraw/zinc/31/54/93/1094315493.db2.gz RLZIDWRKQBRSMA-WDEREUQCSA-N -1 3 346.366 2.931 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H]1CCOC12CCCCC2 ZINC001593469870 1094315599 /nfs/dbraw/zinc/31/55/99/1094315599.db2.gz BCEMTIAMXYZYDO-AWEZNQCLSA-N -1 3 344.375 2.679 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H]1CCOC12CCCCC2 ZINC001593469870 1094315609 /nfs/dbraw/zinc/31/56/09/1094315609.db2.gz BCEMTIAMXYZYDO-AWEZNQCLSA-N -1 3 344.375 2.679 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCc1ccc(F)c(F)c1 ZINC001593472198 1094315875 /nfs/dbraw/zinc/31/58/75/1094315875.db2.gz ZCIJXWWKJCFORG-UHFFFAOYSA-N -1 3 346.297 2.708 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCc1ccc(F)c(F)c1 ZINC001593472198 1094315889 /nfs/dbraw/zinc/31/58/89/1094315889.db2.gz ZCIJXWWKJCFORG-UHFFFAOYSA-N -1 3 346.297 2.708 20 5 EFBDHM O=[N+]([O-])c1cc(F)c(COc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC001593471247 1094316060 /nfs/dbraw/zinc/31/60/60/1094316060.db2.gz MMVILCIRJJLNHM-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1cc(F)c(COc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC001593471247 1094316069 /nfs/dbraw/zinc/31/60/69/1094316069.db2.gz MMVILCIRJJLNHM-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1cc(NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)ccc1-c1nnn[n-]1 ZINC001593473688 1094318165 /nfs/dbraw/zinc/31/81/65/1094318165.db2.gz JNBWLQDGNJEVLJ-UXLLHSPISA-N -1 3 348.366 2.773 20 5 EFBDHM O=[N+]([O-])c1cc(N[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)ccc1-c1nnn[n-]1 ZINC001593473479 1094318271 /nfs/dbraw/zinc/31/82/71/1094318271.db2.gz DSXFHGQAQULCOA-PPKCKEKNSA-N -1 3 336.302 2.621 20 5 EFBDHM O=[N+]([O-])c1cc(NCCCOc2ccccc2)ccc1-c1nnn[n-]1 ZINC001593473498 1094318389 /nfs/dbraw/zinc/31/83/89/1094318389.db2.gz FUFBXYYJUBYRHO-UHFFFAOYSA-N -1 3 340.343 2.656 20 5 EFBDHM O=[N+]([O-])c1cc(NC[C@H]2CCC3(CCCC3)O2)ccc1-c1nnn[n-]1 ZINC001593473465 1094318711 /nfs/dbraw/zinc/31/87/11/1094318711.db2.gz DHOIFUKDIZHYDE-GFCCVEGCSA-N -1 3 344.375 2.679 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cn1 ZINC001593477874 1094319741 /nfs/dbraw/zinc/31/97/41/1094319741.db2.gz IJOMZODAROEOML-CQSZACIVSA-N -1 3 337.343 2.659 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cn1 ZINC001593477874 1094319745 /nfs/dbraw/zinc/31/97/45/1094319745.db2.gz IJOMZODAROEOML-CQSZACIVSA-N -1 3 337.343 2.659 20 5 EFBDHM O=[N+]([O-])c1ccc(CCSc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001593474858 1094320282 /nfs/dbraw/zinc/32/02/82/1094320282.db2.gz BFYKOJKXMUVETR-UHFFFAOYSA-N -1 3 328.357 2.505 20 5 EFBDHM O=[N+]([O-])c1ccc(CCSc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001593474858 1094320288 /nfs/dbraw/zinc/32/02/88/1094320288.db2.gz BFYKOJKXMUVETR-UHFFFAOYSA-N -1 3 328.357 2.505 20 5 EFBDHM O=[N+]([O-])c1ccc(CCNc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC001593475851 1094320887 /nfs/dbraw/zinc/32/08/87/1094320887.db2.gz QRGFJTHWCDHVHR-UHFFFAOYSA-N -1 3 328.307 2.569 20 5 EFBDHM O=[N+]([O-])c1ccc(CCNc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC001593475851 1094320894 /nfs/dbraw/zinc/32/08/94/1094320894.db2.gz QRGFJTHWCDHVHR-UHFFFAOYSA-N -1 3 328.307 2.569 20 5 EFBDHM O=[N+]([O-])c1ccc(Cl)cc1Oc1ncc(-c2nnn[n-]2)cc1F ZINC001593476386 1094320918 /nfs/dbraw/zinc/32/09/18/1094320918.db2.gz OFIRCVWRLXZKHH-UHFFFAOYSA-N -1 3 336.670 2.755 20 5 EFBDHM O=[N+]([O-])c1ccc(Cl)cc1Oc1ncc(-c2nn[n-]n2)cc1F ZINC001593476386 1094320924 /nfs/dbraw/zinc/32/09/24/1094320924.db2.gz OFIRCVWRLXZKHH-UHFFFAOYSA-N -1 3 336.670 2.755 20 5 EFBDHM O=[N+]([O-])c1ccc(CCOc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC001593476214 1094321398 /nfs/dbraw/zinc/32/13/98/1094321398.db2.gz SWWGGPWQKLALAA-UHFFFAOYSA-N -1 3 329.291 2.536 20 5 EFBDHM O=[N+]([O-])c1ccc(CCOc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC001593476214 1094321401 /nfs/dbraw/zinc/32/14/01/1094321401.db2.gz SWWGGPWQKLALAA-UHFFFAOYSA-N -1 3 329.291 2.536 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CC[C@H](CC(F)(F)F)C1 ZINC001593476119 1094321779 /nfs/dbraw/zinc/32/17/79/1094321779.db2.gz UVXRNGOOQPWGPJ-MRVPVSSYSA-N -1 3 342.281 2.554 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CC[C@H](CC(F)(F)F)C1 ZINC001593476119 1094321787 /nfs/dbraw/zinc/32/17/87/1094321787.db2.gz UVXRNGOOQPWGPJ-MRVPVSSYSA-N -1 3 342.281 2.554 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N[C@@H](C1CC1)[C@@H]1CCCCO1 ZINC001593479887 1094322989 /nfs/dbraw/zinc/32/29/89/1094322989.db2.gz BOFAJGQVBUMZJX-KBPBESRZSA-N -1 3 344.375 2.535 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N[C@@H](C1CC1)[C@@H]1CCCCO1 ZINC001593479887 1094322998 /nfs/dbraw/zinc/32/29/98/1094322998.db2.gz BOFAJGQVBUMZJX-KBPBESRZSA-N -1 3 344.375 2.535 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnc(-c3sccc3-c3nnn[n-]3)o2)c1 ZINC001593480202 1094325576 /nfs/dbraw/zinc/32/55/76/1094325576.db2.gz IRXLPDKPQOJSRW-UHFFFAOYSA-N -1 3 341.312 2.553 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnc(-c3sccc3-c3nn[n-]n3)o2)c1 ZINC001593480202 1094325588 /nfs/dbraw/zinc/32/55/88/1094325588.db2.gz IRXLPDKPQOJSRW-UHFFFAOYSA-N -1 3 341.312 2.553 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCC1C[C@H]2CC[C@@H](C1)S2 ZINC001593481993 1094327115 /nfs/dbraw/zinc/32/71/15/1094327115.db2.gz UUDJIRVEBNFZBW-FGWVZKOKSA-N -1 3 346.416 2.861 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCC1C[C@H]2CC[C@@H](C1)S2 ZINC001593481993 1094327128 /nfs/dbraw/zinc/32/71/28/1094327128.db2.gz UUDJIRVEBNFZBW-FGWVZKOKSA-N -1 3 346.416 2.861 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1Sc1ccc2n[nH]cc2c1 ZINC001593482871 1094327217 /nfs/dbraw/zinc/32/72/17/1094327217.db2.gz HIQGSPSKYMNKIS-UHFFFAOYSA-N -1 3 339.340 2.802 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1Sc1ccc2n[nH]cc2c1 ZINC001593482871 1094327220 /nfs/dbraw/zinc/32/72/20/1094327220.db2.gz HIQGSPSKYMNKIS-UHFFFAOYSA-N -1 3 339.340 2.802 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC001593481564 1094327792 /nfs/dbraw/zinc/32/77/92/1094327792.db2.gz RVFSOICCMKLYIP-XGWLTEMNSA-N -1 3 348.366 2.915 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC001593481564 1094327800 /nfs/dbraw/zinc/32/78/00/1094327800.db2.gz RVFSOICCMKLYIP-XGWLTEMNSA-N -1 3 348.366 2.915 20 5 EFBDHM O=[N+]([O-])c1cnc(N2CCc3cc(Cl)ccc32)c(-c2nnn[n-]2)c1 ZINC001593486432 1094328448 /nfs/dbraw/zinc/32/84/48/1094328448.db2.gz SKYDSUDKWLRTRB-UHFFFAOYSA-N -1 3 343.734 2.518 20 5 EFBDHM O=[N+]([O-])c1cnc(N2CCc3cc(Cl)ccc32)c(-c2nn[n-]n2)c1 ZINC001593486432 1094328461 /nfs/dbraw/zinc/32/84/61/1094328461.db2.gz SKYDSUDKWLRTRB-UHFFFAOYSA-N -1 3 343.734 2.518 20 5 EFBDHM O=[N+]([O-])c1cnc(NCc2ccc(Cl)cc2F)c(-c2nnn[n-]2)c1 ZINC001593484819 1094328829 /nfs/dbraw/zinc/32/88/29/1094328829.db2.gz JDMOTLDPWMFBON-UHFFFAOYSA-N -1 3 349.713 2.575 20 5 EFBDHM O=[N+]([O-])c1cnc(NCc2ccc(Cl)cc2F)c(-c2nn[n-]n2)c1 ZINC001593484819 1094328836 /nfs/dbraw/zinc/32/88/36/1094328836.db2.gz JDMOTLDPWMFBON-UHFFFAOYSA-N -1 3 349.713 2.575 20 5 EFBDHM O=[N+]([O-])c1cccc(NC(=S)Nc2ccccc2-c2nnn[n-]2)c1 ZINC001593484275 1094329618 /nfs/dbraw/zinc/32/96/18/1094329618.db2.gz SJYIXLXPIJZCQP-UHFFFAOYSA-N -1 3 341.356 2.584 20 5 EFBDHM O=[N+]([O-])c1cccc(NC(=S)Nc2ccccc2-c2nn[n-]n2)c1 ZINC001593484275 1094329629 /nfs/dbraw/zinc/32/96/29/1094329629.db2.gz SJYIXLXPIJZCQP-UHFFFAOYSA-N -1 3 341.356 2.584 20 5 EFBDHM O=[N+]([O-])c1cn(Cc2ccc(-c3nnn[n-]3)cc2Cl)nc1C1CC1 ZINC001593485392 1094329682 /nfs/dbraw/zinc/32/96/82/1094329682.db2.gz AYTAGLVSFIJITD-UHFFFAOYSA-N -1 3 345.750 2.551 20 5 EFBDHM O=[N+]([O-])c1cn(Cc2ccc(-c3nn[n-]n3)cc2Cl)nc1C1CC1 ZINC001593485392 1094329692 /nfs/dbraw/zinc/32/96/92/1094329692.db2.gz AYTAGLVSFIJITD-UHFFFAOYSA-N -1 3 345.750 2.551 20 5 EFBDHM O=[N+]([O-])c1ccsc1N[C@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001593486634 1094330556 /nfs/dbraw/zinc/33/05/56/1094330556.db2.gz DMKOXIPAOGTYQY-NSHDSACASA-N -1 3 328.357 2.936 20 5 EFBDHM O=[N+]([O-])c1ccsc1N[C@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001593486634 1094330564 /nfs/dbraw/zinc/33/05/64/1094330564.db2.gz DMKOXIPAOGTYQY-NSHDSACASA-N -1 3 328.357 2.936 20 5 EFBDHM Cc1cc([N+](=O)[O-])ccc1CN[C@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC001600304697 1094956899 /nfs/dbraw/zinc/95/68/99/1094956899.db2.gz GWOQBFUTBDQDFP-KRWDZBQOSA-N -1 3 342.351 2.754 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC2(CC(C(=O)[O-])=NO2)CC1 ZINC001600488101 1095103435 /nfs/dbraw/zinc/10/34/35/1095103435.db2.gz KFADPTMJLYXXRG-GFCCVEGCSA-N -1 3 347.371 2.660 20 5 EFBDHM O=C([O-])[C@@]1(c2ccccc2)CCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001601727198 1095867389 /nfs/dbraw/zinc/86/73/89/1095867389.db2.gz GDEDURMRQKKLOX-SFHVURJKSA-N -1 3 344.342 2.962 20 5 EFBDHM O=C([O-])C[C@@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC001601905602 1095970448 /nfs/dbraw/zinc/97/04/48/1095970448.db2.gz BHTNLVHDPUKVII-CQSZACIVSA-N -1 3 331.328 2.593 20 5 EFBDHM O=C([O-])[C@H]1C[C@@H](C(F)(F)F)CN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC001602219690 1096124106 /nfs/dbraw/zinc/12/41/06/1096124106.db2.gz UMSLYCVNUZTSQQ-NWDGAFQWSA-N -1 3 346.305 2.722 20 5 EFBDHM O=C([O-])c1cc2n(n1)CCC[C@@H]2NC/C=C\c1ccccc1[N+](=O)[O-] ZINC001602310567 1096172193 /nfs/dbraw/zinc/17/21/93/1096172193.db2.gz KHJSTVOQVUCIDA-RJNRQISESA-N -1 3 342.355 2.627 20 5 EFBDHM CC(C)(C)[C@H]1C[C@@H](Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCO1 ZINC001603062805 1096428594 /nfs/dbraw/zinc/42/85/94/1096428594.db2.gz SDSRITZJHCWEGR-GXFFZTMASA-N -1 3 346.391 2.781 20 5 EFBDHM CC(C)(C)[C@H]1C[C@@H](Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCO1 ZINC001603062805 1096428599 /nfs/dbraw/zinc/42/85/99/1096428599.db2.gz SDSRITZJHCWEGR-GXFFZTMASA-N -1 3 346.391 2.781 20 5 EFBDHM CC(C)(C)C[C@@H]1C[C@H]1Nc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001603077295 1096435898 /nfs/dbraw/zinc/43/58/98/1096435898.db2.gz KBQXGDVEPKJIEW-WCBMZHEXSA-N -1 3 331.380 2.594 20 5 EFBDHM CC(C)(C)C[C@@H]1C[C@H]1Nc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001603077295 1096435906 /nfs/dbraw/zinc/43/59/06/1096435906.db2.gz KBQXGDVEPKJIEW-WCBMZHEXSA-N -1 3 331.380 2.594 20 5 EFBDHM CC(C)C[C@@H](C)C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001603259620 1096488041 /nfs/dbraw/zinc/48/80/41/1096488041.db2.gz NIXMBXFPAZMBKV-SNVBAGLBSA-N -1 3 333.348 2.500 20 5 EFBDHM CC(C)C[C@@H](C)C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001603259620 1096488046 /nfs/dbraw/zinc/48/80/46/1096488046.db2.gz NIXMBXFPAZMBKV-SNVBAGLBSA-N -1 3 333.348 2.500 20 5 EFBDHM CC(C)(C)N1CC[C@@H]1CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001603345288 1096510201 /nfs/dbraw/zinc/51/02/01/1096510201.db2.gz HLHMDRMFCKNMBJ-VUDGCMKMSA-N -1 3 333.388 2.977 20 5 EFBDHM C[C@@]1(CCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@]1(F)Cl ZINC001603799854 1096630179 /nfs/dbraw/zinc/63/01/79/1096630179.db2.gz DEOVZDJRWMVZKX-CHWSQXEVSA-N -1 3 340.746 2.892 20 5 EFBDHM C[C@@]1(CCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@]1(F)Cl ZINC001603799854 1096630183 /nfs/dbraw/zinc/63/01/83/1096630183.db2.gz DEOVZDJRWMVZKX-CHWSQXEVSA-N -1 3 340.746 2.892 20 5 EFBDHM CC1CC(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001603850255 1096645589 /nfs/dbraw/zinc/64/55/89/1096645589.db2.gz FFWKKKMKDRLJSN-UHFFFAOYSA-N -1 3 339.359 2.781 20 5 EFBDHM CC1CC(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001603850255 1096645592 /nfs/dbraw/zinc/64/55/92/1096645592.db2.gz FFWKKKMKDRLJSN-UHFFFAOYSA-N -1 3 339.359 2.781 20 5 EFBDHM C[C@@H]1CCC[C@H](CNc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001603888612 1096658671 /nfs/dbraw/zinc/65/86/71/1096658671.db2.gz XRRYVIHZVCEUOX-ZJUUUORDSA-N -1 3 331.380 2.595 20 5 EFBDHM C[C@@H]1CCC[C@H](CNc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001603888612 1096658676 /nfs/dbraw/zinc/65/86/76/1096658676.db2.gz XRRYVIHZVCEUOX-ZJUUUORDSA-N -1 3 331.380 2.595 20 5 EFBDHM C[C@@H]1CCCC[C@H]1C(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603890676 1096660597 /nfs/dbraw/zinc/66/05/97/1096660597.db2.gz DGRIIZVXYPKJDK-ZWNOBZJWSA-N -1 3 345.359 2.644 20 5 EFBDHM C[C@@H]1CCCC[C@H]1C(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603890676 1096660601 /nfs/dbraw/zinc/66/06/01/1096660601.db2.gz DGRIIZVXYPKJDK-ZWNOBZJWSA-N -1 3 345.359 2.644 20 5 EFBDHM C[C@H]1CCC[C@H]1CC(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603891264 1096661824 /nfs/dbraw/zinc/66/18/24/1096661824.db2.gz UXBCBSAOMVNWJK-QWRGUYRKSA-N -1 3 345.359 2.644 20 5 EFBDHM C[C@H]1CCC[C@H]1CC(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603891264 1096661825 /nfs/dbraw/zinc/66/18/25/1096661825.db2.gz UXBCBSAOMVNWJK-QWRGUYRKSA-N -1 3 345.359 2.644 20 5 EFBDHM C[C@H]1CCCC[C@H]1OCCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001603891370 1096661831 /nfs/dbraw/zinc/66/18/31/1096661831.db2.gz RJVOEETUOWBWFZ-XHDPSFHLSA-N -1 3 346.391 2.782 20 5 EFBDHM C[C@H]1CCCC[C@H]1OCCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001603891370 1096661835 /nfs/dbraw/zinc/66/18/35/1096661835.db2.gz RJVOEETUOWBWFZ-XHDPSFHLSA-N -1 3 346.391 2.782 20 5 EFBDHM C[C@@H]1CCCC[C@@H]1OCCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001603891358 1096661881 /nfs/dbraw/zinc/66/18/81/1096661881.db2.gz RJVOEETUOWBWFZ-ABAIWWIYSA-N -1 3 346.391 2.782 20 5 EFBDHM C[C@@H]1CCCC[C@@H]1OCCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001603891358 1096661884 /nfs/dbraw/zinc/66/18/84/1096661884.db2.gz RJVOEETUOWBWFZ-ABAIWWIYSA-N -1 3 346.391 2.782 20 5 EFBDHM C[C@@H]1CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])Cc2ccccc21 ZINC001603936862 1096673366 /nfs/dbraw/zinc/67/33/66/1096673366.db2.gz AXJQVXDPJPPLPZ-LLVKDONJSA-N -1 3 336.355 2.899 20 5 EFBDHM C[C@@H]1CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])Cc2ccccc21 ZINC001603936862 1096673373 /nfs/dbraw/zinc/67/33/73/1096673373.db2.gz AXJQVXDPJPPLPZ-LLVKDONJSA-N -1 3 336.355 2.899 20 5 EFBDHM CCCc1cncc(Oc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001604246198 1096784775 /nfs/dbraw/zinc/78/47/75/1096784775.db2.gz YVPIOOCUQAHZKT-UHFFFAOYSA-N -1 3 326.316 2.915 20 5 EFBDHM CCCc1cncc(Oc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001604246198 1096784780 /nfs/dbraw/zinc/78/47/80/1096784780.db2.gz YVPIOOCUQAHZKT-UHFFFAOYSA-N -1 3 326.316 2.915 20 5 EFBDHM CCN(Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@@H](C)C(F)(F)F ZINC001604322030 1096807549 /nfs/dbraw/zinc/80/75/49/1096807549.db2.gz TUDSTGQAIFCLJO-QMMMGPOBSA-N -1 3 344.297 2.548 20 5 EFBDHM CCN(Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@@H](C)C(F)(F)F ZINC001604322030 1096807559 /nfs/dbraw/zinc/80/75/59/1096807559.db2.gz TUDSTGQAIFCLJO-QMMMGPOBSA-N -1 3 344.297 2.548 20 5 EFBDHM C[C@@H](N[C@H](CC(=O)[O-])C1CC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001604322198 1096810154 /nfs/dbraw/zinc/81/01/54/1096810154.db2.gz JOLXABIVNWHXGQ-NOZJJQNGSA-N -1 3 346.343 2.549 20 5 EFBDHM C[C@](NCc1cccc([N+](=O)[O-])c1Br)(C(=O)[O-])C1CC1 ZINC001604346986 1096821321 /nfs/dbraw/zinc/82/13/21/1096821321.db2.gz WNXSTNXHIPTFNV-CYBMUJFWSA-N -1 3 343.177 2.700 20 5 EFBDHM CCOc1cc(Oc2cc(C)ncc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001604451674 1096862918 /nfs/dbraw/zinc/86/29/18/1096862918.db2.gz LWTCTWDEMKEYKC-UHFFFAOYSA-N -1 3 342.315 2.669 20 5 EFBDHM CCOc1cc(Oc2cc(C)ncc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001604451674 1096862921 /nfs/dbraw/zinc/86/29/21/1096862921.db2.gz LWTCTWDEMKEYKC-UHFFFAOYSA-N -1 3 342.315 2.669 20 5 EFBDHM CN(CCc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1F ZINC001604792001 1096955810 /nfs/dbraw/zinc/95/58/10/1096955810.db2.gz QOOGUGVWRGHKAC-UHFFFAOYSA-N -1 3 342.334 2.593 20 5 EFBDHM CN(c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)C1CCCC1 ZINC001604827948 1096967881 /nfs/dbraw/zinc/96/78/81/1096967881.db2.gz GSCAFQDSVAWVQE-UHFFFAOYSA-N -1 3 339.359 2.702 20 5 EFBDHM CN(c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)C1CCCC1 ZINC001604827948 1096967886 /nfs/dbraw/zinc/96/78/86/1096967886.db2.gz GSCAFQDSVAWVQE-UHFFFAOYSA-N -1 3 339.359 2.702 20 5 EFBDHM CCC1(CC)[C@H](NCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H]1OC ZINC001605136994 1097032993 /nfs/dbraw/zinc/03/29/93/1097032993.db2.gz HLICQKTWLZRKDI-HUUCEWRRSA-N -1 3 336.388 2.976 20 5 EFBDHM COc1cc(OCc2cc(-c3nnn[n-]3)ccc2F)ccc1[N+](=O)[O-] ZINC001605236696 1097063742 /nfs/dbraw/zinc/06/37/42/1097063742.db2.gz MMJKASUBYHRYDE-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1cc(OCc2cc(-c3nn[n-]n3)ccc2F)ccc1[N+](=O)[O-] ZINC001605236696 1097063745 /nfs/dbraw/zinc/06/37/45/1097063745.db2.gz MMJKASUBYHRYDE-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1cc(OCc2ccc(-c3nnn[n-]3)cc2F)ccc1[N+](=O)[O-] ZINC001605236476 1097064584 /nfs/dbraw/zinc/06/45/84/1097064584.db2.gz HPBBLNRMELDNQI-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1cc(OCc2ccc(-c3nn[n-]n3)cc2F)ccc1[N+](=O)[O-] ZINC001605236476 1097064588 /nfs/dbraw/zinc/06/45/88/1097064588.db2.gz HPBBLNRMELDNQI-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1COc1cc(-c2nnn[n-]2)ccc1C ZINC001605239182 1097065455 /nfs/dbraw/zinc/06/54/55/1097065455.db2.gz WTRQJKWDCFTIOS-UHFFFAOYSA-N -1 3 341.327 2.671 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1COc1cc(-c2nn[n-]n2)ccc1C ZINC001605239182 1097065461 /nfs/dbraw/zinc/06/54/61/1097065461.db2.gz WTRQJKWDCFTIOS-UHFFFAOYSA-N -1 3 341.327 2.671 20 5 EFBDHM COc1cc(OC)cc(Oc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC001605239421 1097065503 /nfs/dbraw/zinc/06/55/03/1097065503.db2.gz XBSGJRYPUMGVFF-UHFFFAOYSA-N -1 3 343.299 2.584 20 5 EFBDHM COc1cc(OC)cc(Oc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC001605239421 1097065506 /nfs/dbraw/zinc/06/55/06/1097065506.db2.gz XBSGJRYPUMGVFF-UHFFFAOYSA-N -1 3 343.299 2.584 20 5 EFBDHM COc1ccc([N+](=O)[O-])c(OCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC001605307674 1097091124 /nfs/dbraw/zinc/09/11/24/1097091124.db2.gz HQERTLXQRQVCAM-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1ccc([N+](=O)[O-])c(OCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC001605307674 1097091130 /nfs/dbraw/zinc/09/11/30/1097091130.db2.gz HQERTLXQRQVCAM-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1cccc(Sc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC001605323281 1097096000 /nfs/dbraw/zinc/09/60/00/1097096000.db2.gz LJQPBYCKXQTNDD-UHFFFAOYSA-N -1 3 329.341 2.935 20 5 EFBDHM COc1cccc(Sc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC001605323281 1097096005 /nfs/dbraw/zinc/09/60/05/1097096005.db2.gz LJQPBYCKXQTNDD-UHFFFAOYSA-N -1 3 329.341 2.935 20 5 EFBDHM CS[C@H]1CCC[C@H](Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001605370013 1097107420 /nfs/dbraw/zinc/10/74/20/1097107420.db2.gz CTSNREVCKRLAKS-UWVGGRQHSA-N -1 3 334.405 2.861 20 5 EFBDHM CS[C@H]1CCC[C@H](Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001605370013 1097107423 /nfs/dbraw/zinc/10/74/23/1097107423.db2.gz CTSNREVCKRLAKS-UWVGGRQHSA-N -1 3 334.405 2.861 20 5 EFBDHM C[C@H](Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC001605441968 1097126045 /nfs/dbraw/zinc/12/60/45/1097126045.db2.gz UQZRETBEBSVJBC-QMMMGPOBSA-N -1 3 345.750 2.996 20 5 EFBDHM C[C@H](Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC001605441968 1097126048 /nfs/dbraw/zinc/12/60/48/1097126048.db2.gz UQZRETBEBSVJBC-QMMMGPOBSA-N -1 3 345.750 2.996 20 5 EFBDHM C[C@]12CN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001605450704 1097128612 /nfs/dbraw/zinc/12/86/12/1097128612.db2.gz HEQDZBVFBZGKQD-NBBKGKMJSA-N -1 3 340.387 2.647 20 5 EFBDHM C[C@]12CN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001605450704 1097128615 /nfs/dbraw/zinc/12/86/15/1097128615.db2.gz HEQDZBVFBZGKQD-NBBKGKMJSA-N -1 3 340.387 2.647 20 5 EFBDHM Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001605499707 1097139532 /nfs/dbraw/zinc/13/95/32/1097139532.db2.gz ZDEJNTHMPVBZIL-UHFFFAOYSA-N -1 3 348.319 2.536 20 5 EFBDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001605513480 1097142331 /nfs/dbraw/zinc/14/23/31/1097142331.db2.gz NPDBFBBVXFIHAI-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001605513480 1097142334 /nfs/dbraw/zinc/14/23/34/1097142334.db2.gz NPDBFBBVXFIHAI-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM Cc1cc(CNc2cc(C)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)cc(C)n1 ZINC001605662276 1097183676 /nfs/dbraw/zinc/18/36/76/1097183676.db2.gz YJDACVMVDMBKLE-UHFFFAOYSA-N -1 3 339.359 2.707 20 5 EFBDHM Cc1cc(N[C@H](C)Cc2ccncc2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605717407 1097207200 /nfs/dbraw/zinc/20/72/00/1097207200.db2.gz HWKWDYGNZPKCKJ-LLVKDONJSA-N -1 3 339.359 2.521 20 5 EFBDHM Cc1cc(N[C@H](C)Cc2ccncc2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605717407 1097207205 /nfs/dbraw/zinc/20/72/05/1097207205.db2.gz HWKWDYGNZPKCKJ-LLVKDONJSA-N -1 3 339.359 2.521 20 5 EFBDHM Cc1cc(NC[C@H](C)c2nccs2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605725959 1097207956 /nfs/dbraw/zinc/20/79/56/1097207956.db2.gz DLWXUTVQZGXGGU-VIFPVBQESA-N -1 3 345.388 2.755 20 5 EFBDHM Cc1cc(NC[C@H](C)c2nccs2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605725959 1097207961 /nfs/dbraw/zinc/20/79/61/1097207961.db2.gz DLWXUTVQZGXGGU-VIFPVBQESA-N -1 3 345.388 2.755 20 5 EFBDHM Cc1cc(NCC(C)(C)[C@@H](O)C(C)C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605724071 1097208119 /nfs/dbraw/zinc/20/81/19/1097208119.db2.gz SAQKZIXPMLODHA-AWEZNQCLSA-N -1 3 348.407 2.538 20 5 EFBDHM Cc1cc(NCC(C)(C)[C@@H](O)C(C)C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605724071 1097208125 /nfs/dbraw/zinc/20/81/25/1097208125.db2.gz SAQKZIXPMLODHA-AWEZNQCLSA-N -1 3 348.407 2.538 20 5 EFBDHM Cc1cc(N[C@@H]2CCc3cc(-c4nnn[n-]4)ccc32)ncc1[N+](=O)[O-] ZINC001605724392 1097208406 /nfs/dbraw/zinc/20/84/06/1097208406.db2.gz WBNMIORTSWVFAI-CYBMUJFWSA-N -1 3 337.343 2.578 20 5 EFBDHM Cc1cc(N[C@@H]2CCc3cc(-c4nn[n-]n4)ccc32)ncc1[N+](=O)[O-] ZINC001605724392 1097208408 /nfs/dbraw/zinc/20/84/08/1097208408.db2.gz WBNMIORTSWVFAI-CYBMUJFWSA-N -1 3 337.343 2.578 20 5 EFBDHM Cc1cc(NC[C@H]2CC2(Cl)Cl)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605731039 1097209400 /nfs/dbraw/zinc/20/94/00/1097209400.db2.gz NIWZJVFTFVUTLD-SSDOTTSWSA-N -1 3 343.174 2.689 20 5 EFBDHM Cc1cc(NC[C@H]2CC2(Cl)Cl)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605731039 1097209403 /nfs/dbraw/zinc/20/94/03/1097209403.db2.gz NIWZJVFTFVUTLD-SSDOTTSWSA-N -1 3 343.174 2.689 20 5 EFBDHM Cc1cc(NCCOc2ccccc2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605735396 1097209509 /nfs/dbraw/zinc/20/95/09/1097209509.db2.gz BSTFUCUFTBUXQF-UHFFFAOYSA-N -1 3 340.343 2.574 20 5 EFBDHM Cc1cc(NCCOc2ccccc2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605735396 1097209513 /nfs/dbraw/zinc/20/95/13/1097209513.db2.gz BSTFUCUFTBUXQF-UHFFFAOYSA-N -1 3 340.343 2.574 20 5 EFBDHM Cc1cc(NCC[C@@H]2C[C@H]2C2CC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605735725 1097210311 /nfs/dbraw/zinc/21/03/11/1097210311.db2.gz GDDZGZNRGOKCJZ-NEPJUHHUSA-N -1 3 328.376 2.931 20 5 EFBDHM Cc1cc(NCC[C@@H]2C[C@H]2C2CC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605735725 1097210313 /nfs/dbraw/zinc/21/03/13/1097210313.db2.gz GDDZGZNRGOKCJZ-NEPJUHHUSA-N -1 3 328.376 2.931 20 5 EFBDHM Cc1cc(NCc2cc(-c3nnn[n-]3)ccc2F)c([N+](=O)[O-])s1 ZINC001605738245 1097210951 /nfs/dbraw/zinc/21/09/51/1097210951.db2.gz NOQMDJUDIPGXOF-UHFFFAOYSA-N -1 3 334.336 2.896 20 5 EFBDHM Cc1cc(NCc2cc(-c3nn[n-]n3)ccc2F)c([N+](=O)[O-])s1 ZINC001605738245 1097210958 /nfs/dbraw/zinc/21/09/58/1097210958.db2.gz NOQMDJUDIPGXOF-UHFFFAOYSA-N -1 3 334.336 2.896 20 5 EFBDHM Cc1cc(Oc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])ccc1[N+](=O)[O-] ZINC001605750691 1097216620 /nfs/dbraw/zinc/21/66/20/1097216620.db2.gz ZZKUQSNDSCPKCT-UHFFFAOYSA-N -1 3 342.271 2.784 20 5 EFBDHM Cc1cc(Oc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])ccc1[N+](=O)[O-] ZINC001605750691 1097216626 /nfs/dbraw/zinc/21/66/26/1097216626.db2.gz ZZKUQSNDSCPKCT-UHFFFAOYSA-N -1 3 342.271 2.784 20 5 EFBDHM Cc1ccc(OCc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c(Cl)n1 ZINC001605879243 1097264087 /nfs/dbraw/zinc/26/40/87/1097264087.db2.gz IHCOOCHFQKGXMA-UHFFFAOYSA-N -1 3 346.734 2.711 20 5 EFBDHM Cc1ccc(OCc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c(Cl)n1 ZINC001605879243 1097264088 /nfs/dbraw/zinc/26/40/88/1097264088.db2.gz IHCOOCHFQKGXMA-UHFFFAOYSA-N -1 3 346.734 2.711 20 5 EFBDHM Cc1cccc(OCCNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c1 ZINC001605923744 1097277369 /nfs/dbraw/zinc/27/73/69/1097277369.db2.gz WQKANPZILSOFGN-UHFFFAOYSA-N -1 3 340.343 2.574 20 5 EFBDHM Cc1cccc(OCCNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c1 ZINC001605923744 1097277373 /nfs/dbraw/zinc/27/73/73/1097277373.db2.gz WQKANPZILSOFGN-UHFFFAOYSA-N -1 3 340.343 2.574 20 5 EFBDHM Cc1ccnc(NCc2ccc(-c3nnn[n-]3)c(Cl)c2)c1[N+](=O)[O-] ZINC001605959195 1097286242 /nfs/dbraw/zinc/28/62/42/1097286242.db2.gz CNUFDUBGVLLVSM-UHFFFAOYSA-N -1 3 345.750 2.744 20 5 EFBDHM Cc1ccnc(NCc2ccc(-c3nn[n-]n3)c(Cl)c2)c1[N+](=O)[O-] ZINC001605959195 1097286248 /nfs/dbraw/zinc/28/62/48/1097286248.db2.gz CNUFDUBGVLLVSM-UHFFFAOYSA-N -1 3 345.750 2.744 20 5 EFBDHM Cc1cnc(OCc2ccc(Cl)cc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001605980569 1097291355 /nfs/dbraw/zinc/29/13/55/1097291355.db2.gz IPXOQYNSTDCIHM-UHFFFAOYSA-N -1 3 346.734 2.711 20 5 EFBDHM Cc1cnc(OCc2ccc(Cl)cc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001605980569 1097291359 /nfs/dbraw/zinc/29/13/59/1097291359.db2.gz IPXOQYNSTDCIHM-UHFFFAOYSA-N -1 3 346.734 2.711 20 5 EFBDHM Cc1cnc(CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])c(C)c1 ZINC001605979468 1097291449 /nfs/dbraw/zinc/29/14/49/1097291449.db2.gz PWYNAGZEEFCVTB-UHFFFAOYSA-N -1 3 343.322 2.538 20 5 EFBDHM Cc1cnc(CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])c(C)c1 ZINC001605979468 1097291451 /nfs/dbraw/zinc/29/14/51/1097291451.db2.gz PWYNAGZEEFCVTB-UHFFFAOYSA-N -1 3 343.322 2.538 20 5 EFBDHM Cc1noc(C)c1CSCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001606131726 1097323619 /nfs/dbraw/zinc/32/36/19/1097323619.db2.gz MJQHNWOVDZLYQH-UHFFFAOYSA-N -1 3 346.372 2.813 20 5 EFBDHM Cc1noc(C)c1CSCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001606131726 1097323622 /nfs/dbraw/zinc/32/36/22/1097323622.db2.gz MJQHNWOVDZLYQH-UHFFFAOYSA-N -1 3 346.372 2.813 20 5 EFBDHM CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)(C)CC(=O)[O-] ZINC001606174336 1097338309 /nfs/dbraw/zinc/33/83/09/1097338309.db2.gz HNWFNSCVYGXFER-UHFFFAOYSA-N -1 3 333.344 2.935 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N[C@H]1C[C@H]1c1ccccc1 ZINC001607077189 1097505020 /nfs/dbraw/zinc/50/50/20/1097505020.db2.gz IEVDLVUAEWEHTF-GWCFXTLKSA-N -1 3 340.318 2.882 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N[C@H]1C[C@H]1c1ccccc1 ZINC001607077189 1097505025 /nfs/dbraw/zinc/50/50/25/1097505025.db2.gz IEVDLVUAEWEHTF-GWCFXTLKSA-N -1 3 340.318 2.882 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NC[C@@H]1C[C@H]1C(F)(F)F ZINC001607077451 1097505448 /nfs/dbraw/zinc/50/54/48/1097505448.db2.gz NCYQCMIDWUOXFH-CAHLUQPWSA-N -1 3 346.244 2.524 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NC[C@@H]1C[C@H]1C(F)(F)F ZINC001607077451 1097505454 /nfs/dbraw/zinc/50/54/54/1097505454.db2.gz NCYQCMIDWUOXFH-CAHLUQPWSA-N -1 3 346.244 2.524 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NCc1ccc2ccccc2c1 ZINC001607079530 1097506405 /nfs/dbraw/zinc/50/64/05/1097506405.db2.gz AYGKDAKEBDKTMC-UHFFFAOYSA-N -1 3 347.338 2.935 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NCc1ccc2ccccc2c1 ZINC001607079530 1097506408 /nfs/dbraw/zinc/50/64/08/1097506408.db2.gz AYGKDAKEBDKTMC-UHFFFAOYSA-N -1 3 347.338 2.935 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCc3cc(-c4nnn[n-]4)ccc32)s1 ZINC001607082688 1097507681 /nfs/dbraw/zinc/50/76/81/1097507681.db2.gz RVUYHKWVYOEECB-LLVKDONJSA-N -1 3 328.357 2.936 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCc3cc(-c4nn[n-]n4)ccc32)s1 ZINC001607082688 1097507685 /nfs/dbraw/zinc/50/76/85/1097507685.db2.gz RVUYHKWVYOEECB-LLVKDONJSA-N -1 3 328.357 2.936 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CC3CC2(c2ccccc2)C3)c(-c2nnn[n-]2)c1 ZINC001607082494 1097507727 /nfs/dbraw/zinc/50/77/27/1097507727.db2.gz XREMIAOUJSQEGX-UHFFFAOYSA-N -1 3 348.366 2.900 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CC3CC2(c2ccccc2)C3)c(-c2nn[n-]n2)c1 ZINC001607082494 1097507734 /nfs/dbraw/zinc/50/77/34/1097507734.db2.gz XREMIAOUJSQEGX-UHFFFAOYSA-N -1 3 348.366 2.900 20 5 EFBDHM O=[N+]([O-])c1ccc(F)cc1OCc1cc(-c2nnn[n-]2)ccc1F ZINC001607082539 1097508117 /nfs/dbraw/zinc/50/81/17/1097508117.db2.gz ZQUSBPDPCZVDME-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1ccc(F)cc1OCc1cc(-c2nn[n-]n2)ccc1F ZINC001607082539 1097508123 /nfs/dbraw/zinc/50/81/23/1097508123.db2.gz ZQUSBPDPCZVDME-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM COc1cc(CN2CCCCC[C@@H]2C(=O)[O-])c([N+](=O)[O-])cc1F ZINC001607157356 1097546299 /nfs/dbraw/zinc/54/62/99/1097546299.db2.gz FSNIBIFGDKCQNT-GFCCVEGCSA-N -1 3 326.324 2.572 20 5 EFBDHM Cc1cc([N+](=O)[O-])ccc1CN1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC001607709678 1097705523 /nfs/dbraw/zinc/70/55/23/1097705523.db2.gz NUYBQWWGJIPKAE-QGZVFWFLSA-N -1 3 326.352 2.915 20 5 EFBDHM CC1(C)CC[C@H]1Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001609144925 1098167898 /nfs/dbraw/zinc/16/78/98/1098167898.db2.gz SVBPCGDUOWGNII-CYBMUJFWSA-N -1 3 339.359 2.924 20 5 EFBDHM CC1(C)CC[C@H]1Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001609144925 1098167903 /nfs/dbraw/zinc/16/79/03/1098167903.db2.gz SVBPCGDUOWGNII-CYBMUJFWSA-N -1 3 339.359 2.924 20 5 EFBDHM C[C@]1(c2ccccc2)C[C@H]1Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609151548 1098171557 /nfs/dbraw/zinc/17/15/57/1098171557.db2.gz LOUWZVJSBWITJG-NVXWUHKLSA-N -1 3 336.355 2.917 20 5 EFBDHM C[C@@H]1CC[C@]2(CCN(c3ccc(-c4nnn[n-]4)c([N+](=O)[O-])c3)C2)C1 ZINC001609162958 1098176065 /nfs/dbraw/zinc/17/60/65/1098176065.db2.gz ONQDIBOPERCQQF-BZNIZROVSA-N -1 3 328.376 2.791 20 5 EFBDHM CCCN(CCC)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001609213211 1098204863 /nfs/dbraw/zinc/20/48/63/1098204863.db2.gz PSTCRSQIMCCSCX-UHFFFAOYSA-N -1 3 341.375 2.950 20 5 EFBDHM CCCN(CCC)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001609213211 1098204871 /nfs/dbraw/zinc/20/48/71/1098204871.db2.gz PSTCRSQIMCCSCX-UHFFFAOYSA-N -1 3 341.375 2.950 20 5 EFBDHM CCc1cc(-c2nn[n-]n2)ccc1OCc1ccccc1[N+](=O)[O-] ZINC001609250771 1098224452 /nfs/dbraw/zinc/22/44/52/1098224452.db2.gz ACUMSVHECQSIQH-UHFFFAOYSA-N -1 3 325.328 2.916 20 5 EFBDHM CCc1cc(-c2nnn[n-]2)ccc1OC(=O)c1csc([N+](=O)[O-])c1 ZINC001609251115 1098225871 /nfs/dbraw/zinc/22/58/71/1098225871.db2.gz UQSOGFOOAVRARX-UHFFFAOYSA-N -1 3 345.340 2.618 20 5 EFBDHM CCc1cc(-c2nn[n-]n2)ccc1OC(=O)c1csc([N+](=O)[O-])c1 ZINC001609251115 1098225874 /nfs/dbraw/zinc/22/58/74/1098225874.db2.gz UQSOGFOOAVRARX-UHFFFAOYSA-N -1 3 345.340 2.618 20 5 EFBDHM Cc1nn(Cc2ccc(-c3nnn[n-]3)cc2C)c2ccc([N+](=O)[O-])cc12 ZINC001609388715 1098281524 /nfs/dbraw/zinc/28/15/24/1098281524.db2.gz HBBYPPZANDENPF-UHFFFAOYSA-N -1 3 349.354 2.790 20 5 EFBDHM Cc1nn(Cc2ccc(-c3nn[n-]n3)cc2C)c2ccc([N+](=O)[O-])cc12 ZINC001609388715 1098281529 /nfs/dbraw/zinc/28/15/29/1098281529.db2.gz HBBYPPZANDENPF-UHFFFAOYSA-N -1 3 349.354 2.790 20 5 EFBDHM Cc1cc(COc2c(F)cccc2[N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001609402383 1098291111 /nfs/dbraw/zinc/29/11/11/1098291111.db2.gz BKRNSIWJMNLBOH-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1cc(COc2c(F)cccc2[N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001609402383 1098291113 /nfs/dbraw/zinc/29/11/13/1098291113.db2.gz BKRNSIWJMNLBOH-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1cc(N2CC(C3CCCC3)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609404590 1098295087 /nfs/dbraw/zinc/29/50/87/1098295087.db2.gz FBDVBOXQGKGLPJ-UHFFFAOYSA-N -1 3 328.376 2.710 20 5 EFBDHM Cc1cc(N2CC(C3CCCC3)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609404590 1098295090 /nfs/dbraw/zinc/29/50/90/1098295090.db2.gz FBDVBOXQGKGLPJ-UHFFFAOYSA-N -1 3 328.376 2.710 20 5 EFBDHM Cc1ccc(C(=O)OCc2csc([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC001609420009 1098304632 /nfs/dbraw/zinc/30/46/32/1098304632.db2.gz NPNBGIORCCBMSP-UHFFFAOYSA-N -1 3 345.340 2.502 20 5 EFBDHM Cc1ccc(C(=O)OCc2csc([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC001609420009 1098304640 /nfs/dbraw/zinc/30/46/40/1098304640.db2.gz NPNBGIORCCBMSP-UHFFFAOYSA-N -1 3 345.340 2.502 20 5 EFBDHM Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)cc1-c1nnn[n-]1 ZINC001609419375 1098305678 /nfs/dbraw/zinc/30/56/78/1098305678.db2.gz BTTVMDGVRALOAH-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)cc1-c1nn[n-]n1 ZINC001609419375 1098305685 /nfs/dbraw/zinc/30/56/85/1098305685.db2.gz BTTVMDGVRALOAH-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM Cc1ccccc1C[C@@H](C)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609435913 1098319123 /nfs/dbraw/zinc/31/91/23/1098319123.db2.gz OSPLHTPVFITWMY-LLVKDONJSA-N -1 3 339.359 2.521 20 5 EFBDHM Cc1ccccc1C[C@@H](C)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609435913 1098319129 /nfs/dbraw/zinc/31/91/29/1098319129.db2.gz OSPLHTPVFITWMY-LLVKDONJSA-N -1 3 339.359 2.521 20 5 EFBDHM Cc1ccncc1[C@H](C)Nc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609439192 1098322358 /nfs/dbraw/zinc/32/23/58/1098322358.db2.gz QBSFSJNBGVQEFZ-NSHDSACASA-N -1 3 339.359 2.960 20 5 EFBDHM Cc1ccncc1[C@H](C)Nc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609439192 1098322366 /nfs/dbraw/zinc/32/23/66/1098322366.db2.gz QBSFSJNBGVQEFZ-NSHDSACASA-N -1 3 339.359 2.960 20 5 EFBDHM Cc1nc(N(C)[C@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC001609450146 1098330065 /nfs/dbraw/zinc/33/00/65/1098330065.db2.gz AQCVBEJISRDAQG-LLVKDONJSA-N -1 3 339.359 2.676 20 5 EFBDHM Cc1nc(N(C)[C@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC001609450146 1098330072 /nfs/dbraw/zinc/33/00/72/1098330072.db2.gz AQCVBEJISRDAQG-LLVKDONJSA-N -1 3 339.359 2.676 20 5 EFBDHM O=C(Nc1cccc([N+](=O)[O-])c1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC001609567517 1098381981 /nfs/dbraw/zinc/38/19/81/1098381981.db2.gz QZJJMIJJGXHGBP-UHFFFAOYSA-N -1 3 344.718 2.681 20 5 EFBDHM O=C(Nc1cccc([N+](=O)[O-])c1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC001609567517 1098381986 /nfs/dbraw/zinc/38/19/86/1098381986.db2.gz QZJJMIJJGXHGBP-UHFFFAOYSA-N -1 3 344.718 2.681 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCc1c(F)cccc1F ZINC001609600474 1098394209 /nfs/dbraw/zinc/39/42/09/1098394209.db2.gz LLPIFRJHWOATLL-UHFFFAOYSA-N -1 3 346.297 2.708 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCc1c(F)cccc1F ZINC001609600474 1098394213 /nfs/dbraw/zinc/39/42/13/1098394213.db2.gz LLPIFRJHWOATLL-UHFFFAOYSA-N -1 3 346.297 2.708 20 5 EFBDHM O=[N+]([O-])c1cnc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)s1 ZINC001609603424 1098395965 /nfs/dbraw/zinc/39/59/65/1098395965.db2.gz CJAHRHGQVWFEPA-NSHDSACASA-N -1 3 343.372 2.721 20 5 EFBDHM O=[N+]([O-])c1cnc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)s1 ZINC001609603424 1098395976 /nfs/dbraw/zinc/39/59/76/1098395976.db2.gz CJAHRHGQVWFEPA-NSHDSACASA-N -1 3 343.372 2.721 20 5 EFBDHM Cc1ccccc1CNCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001610532650 1098738419 /nfs/dbraw/zinc/73/84/19/1098738419.db2.gz DXJSHHNCDSTEGG-UHFFFAOYSA-N -1 3 330.340 2.656 20 5 EFBDHM CC/C=C(/C)C(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCC1 ZINC001111759532 1102091633 /nfs/dbraw/zinc/09/16/33/1102091633.db2.gz VZBOLWXAYFHOGT-WZUFQYTHSA-N -1 3 334.376 2.503 20 5 EFBDHM O=C(CCC1CC1)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC1 ZINC001104374742 1102420231 /nfs/dbraw/zinc/42/02/31/1102420231.db2.gz BRNZQJGUOKLPFA-UHFFFAOYSA-N -1 3 348.403 2.727 20 5 EFBDHM Cc1ccc([C@H](C)NC(=O)c2cc3c(cc2[O-])OCO3)cc1[N+](=O)[O-] ZINC000436578650 1107856870 /nfs/dbraw/zinc/85/68/70/1107856870.db2.gz SANZEHWLWGILFF-JTQLQIEISA-N -1 3 344.323 2.829 20 5 EFBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C1=CCCCCC1 ZINC001106735659 1111784075 /nfs/dbraw/zinc/78/40/75/1111784075.db2.gz AOTOFYCGDIUCRA-UHFFFAOYSA-N -1 3 348.403 2.846 20 5 EFBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)CCC(C)(C)C ZINC001106823902 1111883846 /nfs/dbraw/zinc/88/38/46/1111883846.db2.gz FYFNVUFGSLMYHW-UHFFFAOYSA-N -1 3 338.408 2.782 20 5 EFBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C1(C)CCCC1 ZINC001106902912 1112421334 /nfs/dbraw/zinc/42/13/34/1112421334.db2.gz QVXALYXQFLDJRN-UHFFFAOYSA-N -1 3 336.392 2.536 20 5 EFBDHM CCCC(C)(C)C(=O)N(CC)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001106943052 1118640256 /nfs/dbraw/zinc/64/02/56/1118640256.db2.gz OEOHPTLKDUTNDG-UHFFFAOYSA-N -1 3 338.408 2.782 20 5 EFBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)CCCC(C)C ZINC001106955914 1118703544 /nfs/dbraw/zinc/70/35/44/1118703544.db2.gz MNVBVUNCSHMCTK-UHFFFAOYSA-N -1 3 338.408 2.782 20 5 EFBDHM O=C(NC/C=C/CNc1cccc(F)c1[N+](=O)[O-])c1ccccc1[O-] ZINC001107046913 1120094253 /nfs/dbraw/zinc/09/42/53/1120094253.db2.gz IQOYMBWHZWWMPX-ONEGZZNKSA-N -1 3 345.330 2.838 20 5 EFBDHM O=C(NC/C=C\CNc1cccc(F)c1[N+](=O)[O-])c1ccccc1[O-] ZINC001107046912 1120094668 /nfs/dbraw/zinc/09/46/68/1120094668.db2.gz IQOYMBWHZWWMPX-ARJAWSKDSA-N -1 3 345.330 2.838 20 5 EFBDHM O=C(NC/C=C\CNc1ccccc1[N+](=O)[O-])c1ccccc1[O-] ZINC001107046941 1120095900 /nfs/dbraw/zinc/09/59/00/1120095900.db2.gz IZQKSGXJELPEQI-WAYWQWQTSA-N -1 3 327.340 2.699 20 5 EFBDHM Cc1ncc(C(=O)[N-]c2cc3c(cc2[N+](=O)[O-])OCCCO3)s1 ZINC000195224198 282147696 /nfs/dbraw/zinc/14/76/96/282147696.db2.gz WSQMWYPCVDVANU-UHFFFAOYSA-N -1 3 335.341 2.773 20 5 EFBDHM CC(C)SCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000344839974 535113174 /nfs/dbraw/zinc/11/31/74/535113174.db2.gz YQGRQFBADRVDOG-UHFFFAOYSA-N -1 3 338.838 2.668 20 5 EFBDHM O=C([N-]c1nncn1C1CC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000353388998 304022086 /nfs/dbraw/zinc/02/20/86/304022086.db2.gz OXUMMOHYPOBUSS-UHFFFAOYSA-N -1 3 341.249 2.792 20 5 EFBDHM COC(=O)c1cccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC000028063141 201063519 /nfs/dbraw/zinc/06/35/19/201063519.db2.gz JGFRCQHMULFVLW-UHFFFAOYSA-N -1 3 340.295 2.510 20 5 EFBDHM COC(=O)c1cc(C(=O)[N-]c2c(F)cccc2F)cc([N+](=O)[O-])c1 ZINC000045829646 201105245 /nfs/dbraw/zinc/10/52/45/201105245.db2.gz OENPZSDHDJMGQG-UHFFFAOYSA-N -1 3 336.250 2.912 20 5 EFBDHM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])[C@H](c1ccccc1)N(C)C ZINC000436891457 296105671 /nfs/dbraw/zinc/10/56/71/296105671.db2.gz ISLIROQYVQEZMY-MLGOLLRUSA-N -1 3 343.383 2.722 20 5 EFBDHM Cn1c(=O)[n-]nc1SCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000418853993 245300131 /nfs/dbraw/zinc/30/01/31/245300131.db2.gz SUURVPAIBKZXSD-UHFFFAOYSA-N -1 3 334.279 2.740 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCOC1CCCCCC1 ZINC000118437486 204278323 /nfs/dbraw/zinc/27/83/23/204278323.db2.gz BZAHLFWFWGXWKA-UHFFFAOYSA-N -1 3 342.417 2.613 20 5 EFBDHM O=C([N-]c1ncccc1OCC1CCCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000128363089 205145033 /nfs/dbraw/zinc/14/50/33/205145033.db2.gz UXGHHWAGLGCLHJ-UHFFFAOYSA-N -1 3 345.359 2.924 20 5 EFBDHM CCc1cc(=O)[n-]c(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000130946225 205266136 /nfs/dbraw/zinc/26/61/36/205266136.db2.gz SCHCAVFHOHJFEF-UHFFFAOYSA-N -1 3 328.372 2.817 20 5 EFBDHM CN1CCC(Nc2ccccc2NC(=O)c2ccc([N+](=O)[O-])[n-]2)CC1 ZINC000264072706 246039372 /nfs/dbraw/zinc/03/93/72/246039372.db2.gz IHIBQLYCRXLEAP-UHFFFAOYSA-N -1 3 343.387 2.681 20 5 EFBDHM O=C([N-]OC1CCCC1)c1cccc([N+](=O)[O-])c1Br ZINC000156242237 206063872 /nfs/dbraw/zinc/06/38/72/206063872.db2.gz BXZBNBBWQNQYIP-UHFFFAOYSA-N -1 3 329.150 2.961 20 5 EFBDHM Cc1ccc(F)c(CN[C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)[O-])c1 ZINC000426768458 247295311 /nfs/dbraw/zinc/29/53/11/247295311.db2.gz ZCJOKDWRBGHJII-INIZCTEOSA-N -1 3 332.331 2.828 20 5 EFBDHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000427133870 247320227 /nfs/dbraw/zinc/32/02/27/247320227.db2.gz SOTLEYDICAWPRF-UHFFFAOYSA-N -1 3 346.324 2.571 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC(C)(C)CC(C)C ZINC000433765731 248087024 /nfs/dbraw/zinc/08/70/24/248087024.db2.gz MIJIAEBIDLKREI-UHFFFAOYSA-N -1 3 344.433 2.954 20 5 EFBDHM COc1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)ccc1[O-] ZINC000442673103 250099970 /nfs/dbraw/zinc/09/99/70/250099970.db2.gz SKDMZNKSNNRMOY-UHFFFAOYSA-N -1 3 328.324 2.508 20 5 EFBDHM Cc1ccc(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c([O-])c1C ZINC000444630325 250319533 /nfs/dbraw/zinc/31/95/33/250319533.db2.gz GRQHRBZNAIZVIG-UHFFFAOYSA-N -1 3 340.339 2.724 20 5 EFBDHM O=C(COc1ccccc1[N+](=O)[O-])N1CCCc2cccc([O-])c21 ZINC000182950225 141378079 /nfs/dbraw/zinc/37/80/79/141378079.db2.gz HQIYFANADBKTRJ-UHFFFAOYSA-N -1 3 328.324 2.659 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C1(c2ccccc2)CC1 ZINC000338714570 141665555 /nfs/dbraw/zinc/66/55/55/141665555.db2.gz SOMBGUXKISFADY-UHFFFAOYSA-N -1 3 332.381 2.871 20 5 EFBDHM CCOC(=O)c1cc(COC)cc([N-]C(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000344455425 142020371 /nfs/dbraw/zinc/02/03/71/142020371.db2.gz YYIDKPIQJJPJBE-UHFFFAOYSA-N -1 3 348.311 2.763 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCSC(C)C)c1C ZINC000344856719 142087898 /nfs/dbraw/zinc/08/78/98/142087898.db2.gz PEQGBLNOUCWMCY-UHFFFAOYSA-N -1 3 332.447 2.632 20 5 EFBDHM COCC(C)(C)CCC[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000344924661 142098269 /nfs/dbraw/zinc/09/82/69/142098269.db2.gz WEOUAGCGECTMPK-UHFFFAOYSA-N -1 3 344.433 2.634 20 5 EFBDHM Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)c([O-])c1 ZINC000347728424 142262792 /nfs/dbraw/zinc/26/27/92/142262792.db2.gz UHMJNFGLJHSBGN-UHFFFAOYSA-N -1 3 348.380 2.946 20 5 EFBDHM Cn1cc(-c2ncc(C(=O)[N-]c3cc(F)cc([N+](=O)[O-])c3)s2)cn1 ZINC000347983883 142303944 /nfs/dbraw/zinc/30/39/44/142303944.db2.gz PDKLGCSWHPIVQI-UHFFFAOYSA-N -1 3 347.331 2.843 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]CCC[C@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC000354698951 146769446 /nfs/dbraw/zinc/76/94/46/146769446.db2.gz VLPLOZICMRTZDV-CYBMUJFWSA-N -1 3 342.417 2.531 20 5 EFBDHM Cc1ccc(F)c(CN[C@@H](Cc2ccccc2[N+](=O)[O-])C(=O)[O-])c1 ZINC000426806679 292117589 /nfs/dbraw/zinc/11/75/89/292117589.db2.gz KXENTNWPRYIMOC-HNNXBMFYSA-N -1 3 332.331 2.828 20 5 EFBDHM O=C([O-])C1(NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCOCC1 ZINC000340686432 144916693 /nfs/dbraw/zinc/91/66/93/144916693.db2.gz ZBRACDIAGUTPBL-UHFFFAOYSA-N -1 3 346.339 2.578 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-]C[C@H]2CCCCS2)cc1[N+](=O)[O-] ZINC000342502271 145139383 /nfs/dbraw/zinc/13/93/83/145139383.db2.gz FQUZMNVBKDNTCV-SECBINFHSA-N -1 3 336.460 2.529 20 5 EFBDHM O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cnn[n-]1 ZINC000343717783 145278579 /nfs/dbraw/zinc/27/85/79/145278579.db2.gz BWUZBIBUDAFOCM-UHFFFAOYSA-N -1 3 325.284 2.758 20 5 EFBDHM O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1c[n-]nn1 ZINC000343717783 145278582 /nfs/dbraw/zinc/27/85/82/145278582.db2.gz BWUZBIBUDAFOCM-UHFFFAOYSA-N -1 3 325.284 2.758 20 5 EFBDHM O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cn[n-]n1 ZINC000343717783 145278583 /nfs/dbraw/zinc/27/85/83/145278583.db2.gz BWUZBIBUDAFOCM-UHFFFAOYSA-N -1 3 325.284 2.758 20 5 EFBDHM CS[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000343981180 145338156 /nfs/dbraw/zinc/33/81/56/145338156.db2.gz JMRIDZPOSIIFRA-LBPRGKRZSA-N -1 3 332.447 2.651 20 5 EFBDHM O=C(Nc1nc(-c2ccccc2)co1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000351605323 146157515 /nfs/dbraw/zinc/15/75/15/146157515.db2.gz ZQONWCARIBYOAT-UHFFFAOYSA-N -1 3 326.268 2.603 20 5 EFBDHM CCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc2[nH]ccc2c1 ZINC000351758981 146196672 /nfs/dbraw/zinc/19/66/72/146196672.db2.gz DFOUJWJIUUOIDZ-UHFFFAOYSA-N -1 3 326.312 2.843 20 5 EFBDHM Cc1cccc(F)c1S(=O)(=O)[N-]CCc1cccc([N+](=O)[O-])c1 ZINC000356606986 147289461 /nfs/dbraw/zinc/28/94/61/147289461.db2.gz JGIYTEZKALWQPB-UHFFFAOYSA-N -1 3 338.360 2.563 20 5 EFBDHM COc1cc(CNCc2cn3cc(C)ccc3n2)c([N+](=O)[O-])cc1[O-] ZINC000356918035 147371997 /nfs/dbraw/zinc/37/19/97/147371997.db2.gz MWCLSRJVOPUJJI-UHFFFAOYSA-N -1 3 342.355 2.555 20 5 EFBDHM CS[C@H](C)CCC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000359249934 148035792 /nfs/dbraw/zinc/03/57/92/148035792.db2.gz YKNPMQBBJUNPFQ-SNVBAGLBSA-N -1 3 334.401 2.877 20 5 EFBDHM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1ncoc1[C@H]1CCCO1 ZINC000359414811 148079179 /nfs/dbraw/zinc/07/91/79/148079179.db2.gz RHOPZOULVXDCOH-GFCCVEGCSA-N -1 3 333.300 2.695 20 5 EFBDHM CC[C@H](C)N[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccco1 ZINC000359549064 148118741 /nfs/dbraw/zinc/11/87/41/148118741.db2.gz VRTQUEYSPJXICX-AAEUAGOBSA-N -1 3 347.371 2.753 20 5 EFBDHM COc1ccc([N-]S(=O)(=O)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000359826711 148200136 /nfs/dbraw/zinc/20/01/36/148200136.db2.gz CDHAQSBOXCBREW-UHFFFAOYSA-N -1 3 340.332 2.684 20 5 EFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C)CC(F)(F)F)c1[N+](=O)[O-] ZINC000359986376 148243043 /nfs/dbraw/zinc/24/30/43/148243043.db2.gz KCYXFJZFPTZJSQ-VIFPVBQESA-N -1 3 340.323 2.831 20 5 EFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CC2(C(C)C)CC2)c1[N+](=O)[O-] ZINC000359989524 148243862 /nfs/dbraw/zinc/24/38/62/148243862.db2.gz YTDHGZCCUSLQGG-UHFFFAOYSA-N -1 3 326.418 2.926 20 5 EFBDHM Cc1cc(N(C)C[C@@H](C)c2nnn[n-]2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000360065303 148263553 /nfs/dbraw/zinc/26/35/53/148263553.db2.gz HADPQPPPBALSRZ-MRVPVSSYSA-N -1 3 344.297 2.675 20 5 EFBDHM Cc1cc(N(C)C[C@@H](C)c2nn[n-]n2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000360065303 148263556 /nfs/dbraw/zinc/26/35/56/148263556.db2.gz HADPQPPPBALSRZ-MRVPVSSYSA-N -1 3 344.297 2.675 20 5 EFBDHM Cc1c(C[N-]S(=O)(=O)c2cccc(F)c2F)cccc1[N+](=O)[O-] ZINC000360114687 148275723 /nfs/dbraw/zinc/27/57/23/148275723.db2.gz IGCDDBJYRCZJNG-UHFFFAOYSA-N -1 3 342.323 2.660 20 5 EFBDHM CCCCOCCC[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000360180439 148292453 /nfs/dbraw/zinc/29/24/53/148292453.db2.gz JKZLYOZPOHAUTI-UHFFFAOYSA-N -1 3 344.433 2.697 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCOCCC(C)C)c1C ZINC000360196089 148296418 /nfs/dbraw/zinc/29/64/18/148296418.db2.gz XCCGGELNGHEOIU-UHFFFAOYSA-N -1 3 344.433 2.553 20 5 EFBDHM C[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000360355214 148339966 /nfs/dbraw/zinc/33/99/66/148339966.db2.gz YBILRHIXGMLVIJ-ZJUUUORDSA-N -1 3 332.809 2.963 20 5 EFBDHM CC(C)Cn1ncc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1C1CC1 ZINC000360448360 148364716 /nfs/dbraw/zinc/36/47/16/148364716.db2.gz ZXVGFGJZGGGTAE-UHFFFAOYSA-N -1 3 345.359 2.678 20 5 EFBDHM COc1ccc(C(=O)[N-]c2nc3cc(Cl)ccn3n2)cc1[N+](=O)[O-] ZINC000362296144 148794872 /nfs/dbraw/zinc/79/48/72/148794872.db2.gz CZQQLLHGQNIUEQ-UHFFFAOYSA-N -1 3 347.718 2.552 20 5 EFBDHM CCc1cc(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)ccc1[O-] ZINC000366243136 149584007 /nfs/dbraw/zinc/58/40/07/149584007.db2.gz RVUXSMDIZIWXFS-UHFFFAOYSA-N -1 3 344.371 2.537 20 5 EFBDHM O=C(Nc1nc(-c2ccccc2F)co1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000373648964 151205223 /nfs/dbraw/zinc/20/52/23/151205223.db2.gz SFVYJWLYNXOYLY-UHFFFAOYSA-N -1 3 344.258 2.742 20 5 EFBDHM Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000373697498 151211493 /nfs/dbraw/zinc/21/14/93/151211493.db2.gz REGMPKKCSJWXQL-UHFFFAOYSA-N -1 3 339.311 2.646 20 5 EFBDHM CCSCC[C@@H](C)[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000437723431 286699869 /nfs/dbraw/zinc/69/98/69/286699869.db2.gz HNZLWUTUYNXYDA-LLVKDONJSA-N -1 3 332.447 2.713 20 5 EFBDHM C[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1cccc([N+](=O)[O-])c1 ZINC000194682502 265380498 /nfs/dbraw/zinc/38/04/98/265380498.db2.gz HZWKWHKAYHFTRE-NSHDSACASA-N -1 3 337.335 2.927 20 5 EFBDHM CC(C)c1nnc([N-]C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)s1 ZINC000272172519 266176399 /nfs/dbraw/zinc/17/63/99/266176399.db2.gz INGQILLVSKIBFD-UHFFFAOYSA-N -1 3 336.329 2.551 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1nnc(CC(C)C)s1 ZINC000277603499 267209579 /nfs/dbraw/zinc/20/95/79/267209579.db2.gz PAFCNSMKTVKVLU-UHFFFAOYSA-N -1 3 336.373 2.906 20 5 EFBDHM COc1cc(CNCc2ccc3c(n2)CCCC3)c([N+](=O)[O-])cc1[O-] ZINC000277695301 267237392 /nfs/dbraw/zinc/23/73/92/267237392.db2.gz KUXAGGBOPYINKN-UHFFFAOYSA-N -1 3 343.383 2.873 20 5 EFBDHM COc1cc(C[NH2+]C[C@H](CC(=O)[O-])C(C)(C)C)c([N+](=O)[O-])cc1[O-] ZINC000277117659 273146897 /nfs/dbraw/zinc/14/68/97/273146897.db2.gz AUJIEDKCZMSAOC-NSHDSACASA-N -1 3 340.376 2.536 20 5 EFBDHM CC[C@]1(C)Oc2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc2O1 ZINC000277202076 273150476 /nfs/dbraw/zinc/15/04/76/273150476.db2.gz XZBUXYUXLDORHI-MRXNPFEDSA-N -1 3 345.311 2.845 20 5 EFBDHM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nc2c(s1)COCC2 ZINC000279302056 273199932 /nfs/dbraw/zinc/19/99/32/273199932.db2.gz MHFZHDWOXQZKMM-UHFFFAOYSA-N -1 3 349.368 2.775 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1CCC(F)(F)C1 ZINC000281600889 273451176 /nfs/dbraw/zinc/45/11/76/273451176.db2.gz JZZGCUWGABGWIK-JTQLQIEISA-N -1 3 334.344 2.617 20 5 EFBDHM O=C([N-]O[C@H]1CCCCO1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000283186546 273683275 /nfs/dbraw/zinc/68/32/75/273683275.db2.gz VOWONLKUZMRIIW-AWEZNQCLSA-N -1 3 343.339 2.845 20 5 EFBDHM O=C([N-]c1nncn1C1CC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000285580375 274030347 /nfs/dbraw/zinc/03/03/47/274030347.db2.gz ATQBVALKHFNNFN-UHFFFAOYSA-N -1 3 341.249 2.792 20 5 EFBDHM COc1cc([N+](=O)[O-])c(C(=O)[N-]c2nncn2C2CC2)cc1SC ZINC000285838331 274084595 /nfs/dbraw/zinc/08/45/95/274084595.db2.gz OQZSMPQSKFNKNM-UHFFFAOYSA-N -1 3 349.372 2.504 20 5 EFBDHM CCCN(CCN1CCCCC1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000286228033 274157804 /nfs/dbraw/zinc/15/78/04/274157804.db2.gz NYJAPVWFFMSBSE-UHFFFAOYSA-N -1 3 335.404 2.639 20 5 EFBDHM COc1cc(CN[C@@H]2COc3c(C)cccc3C2)c([N+](=O)[O-])cc1[O-] ZINC000289789508 274822305 /nfs/dbraw/zinc/82/23/05/274822305.db2.gz YOURUGVKNLMOME-AWEZNQCLSA-N -1 3 344.367 2.711 20 5 EFBDHM CCc1ocnc1C(=O)[N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000265735265 276707690 /nfs/dbraw/zinc/70/76/90/276707690.db2.gz YXKYQNMCYYZGLM-UHFFFAOYSA-N -1 3 333.300 2.559 20 5 EFBDHM Cc1ccccc1C[C@@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000055265930 292653249 /nfs/dbraw/zinc/65/32/49/292653249.db2.gz CWBFWPOCMNLVRC-CYBMUJFWSA-N -1 3 334.397 2.813 20 5 EFBDHM Cc1nn(C)c(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])c1[N+](=O)[O-] ZINC000128610610 293109194 /nfs/dbraw/zinc/10/91/94/293109194.db2.gz AWGWOVSYEMXQJJ-UHFFFAOYSA-N -1 3 332.360 2.892 20 5 EFBDHM Cc1cc(CN(C)C)cc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000130262758 293159839 /nfs/dbraw/zinc/15/98/39/293159839.db2.gz QZWLLZCEPHYRLZ-UHFFFAOYSA-N -1 3 329.356 2.923 20 5 EFBDHM O=C([N-]c1nncn1Cc1ccccc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000131082783 293186952 /nfs/dbraw/zinc/18/69/52/293186952.db2.gz OYOHCVYXGLPBOQ-UHFFFAOYSA-N -1 3 341.302 2.626 20 5 EFBDHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C)CO2 ZINC000152545375 293338868 /nfs/dbraw/zinc/33/88/68/293338868.db2.gz PAFHSSUXURFPPV-CQSZACIVSA-N -1 3 348.380 2.624 20 5 EFBDHM O=C(c1ccc(O)cc1[O-])N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000154017825 293406066 /nfs/dbraw/zinc/40/60/66/293406066.db2.gz BPGCEPLOVRMUMI-UHFFFAOYSA-N -1 3 328.324 2.811 20 5 EFBDHM CCCc1nc(C)c(CNCc2cc(OC)c([O-])cc2[N+](=O)[O-])o1 ZINC000291812068 294491421 /nfs/dbraw/zinc/49/14/21/294491421.db2.gz YFWTUIDLXRYFFC-UHFFFAOYSA-N -1 3 335.360 2.848 20 5 EFBDHM O=C([N-]c1nnc(C2CCOCC2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000294052083 295103517 /nfs/dbraw/zinc/10/35/17/295103517.db2.gz GUSJHCIMWGGVDZ-UHFFFAOYSA-N -1 3 334.357 2.593 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000354484848 295199537 /nfs/dbraw/zinc/19/95/37/295199537.db2.gz BEDJNMJWVQFBOK-NTZNESFSSA-N -1 3 342.417 2.706 20 5 EFBDHM CC(C)(CCC(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1)[N+](=O)[O-] ZINC000295101188 295268257 /nfs/dbraw/zinc/26/82/57/295268257.db2.gz XIEFMRNMLOBNNB-UHFFFAOYSA-N -1 3 339.302 2.524 20 5 EFBDHM CC(C)(CCC(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1)[N+](=O)[O-] ZINC000295101188 295268260 /nfs/dbraw/zinc/26/82/60/295268260.db2.gz XIEFMRNMLOBNNB-UHFFFAOYSA-N -1 3 339.302 2.524 20 5 EFBDHM CC(C)(CCC(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1)[N+](=O)[O-] ZINC000295101188 295268262 /nfs/dbraw/zinc/26/82/62/295268262.db2.gz XIEFMRNMLOBNNB-UHFFFAOYSA-N -1 3 339.302 2.524 20 5 EFBDHM O=C([N-]c1nncn1C1CC1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000296060069 295419232 /nfs/dbraw/zinc/41/92/32/295419232.db2.gz OZMHMVTWNGXNAX-UHFFFAOYSA-N -1 3 341.249 2.792 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1c2ccccc2O[C@H]1C ZINC000341892054 302049437 /nfs/dbraw/zinc/04/94/37/302049437.db2.gz SSIICHPVBINEKJ-NHYWBVRUSA-N -1 3 348.380 2.704 20 5 EFBDHM Cc1cc(-c2csc([N-]C(=O)c3n[nH]cc3[N+](=O)[O-])n2)c(C)o1 ZINC000137766106 310670101 /nfs/dbraw/zinc/67/01/01/310670101.db2.gz KZXYAJXVKYBHFZ-UHFFFAOYSA-N -1 3 333.329 2.904 20 5 EFBDHM O=C(Nc1cc(F)ccc1[O-])c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000174894517 310768856 /nfs/dbraw/zinc/76/88/56/310768856.db2.gz PVVVCRBBRZLGKH-UHFFFAOYSA-N -1 3 342.286 2.878 20 5 EFBDHM CCOc1cc([N-]C(=O)c2ncoc2C)c([N+](=O)[O-])cc1OCC ZINC000299449382 311086033 /nfs/dbraw/zinc/08/60/33/311086033.db2.gz SDQJKERYYLOXRO-UHFFFAOYSA-N -1 3 335.316 2.941 20 5 EFBDHM COc1cc([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])ccc1F ZINC000302558404 311193449 /nfs/dbraw/zinc/19/34/49/311193449.db2.gz SPFATJHAWXLKME-UHFFFAOYSA-N -1 3 346.361 2.951 20 5 EFBDHM O=[N+]([O-])c1cnn(Cc2nc(-c3ccc([O-])c4ccccc34)no2)c1 ZINC000350591947 311810989 /nfs/dbraw/zinc/81/09/89/311810989.db2.gz XTHBJUSUXWYTFB-UHFFFAOYSA-N -1 3 337.295 2.748 20 5 EFBDHM COc1cc(C)ccc1CN[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000417561327 312240468 /nfs/dbraw/zinc/24/04/68/312240468.db2.gz ATYZKPFQSWHAND-INIZCTEOSA-N -1 3 344.367 2.697 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2CCC2)c(C(F)(F)F)c1 ZINC000447022747 312667132 /nfs/dbraw/zinc/66/71/32/312667132.db2.gz GSOLVGPJLZYTMR-UHFFFAOYSA-N -1 3 338.307 2.692 20 5 EFBDHM Cc1c(Cl)cc(S(=O)(=O)[N-][C@H](C)C(C)(F)F)cc1[N+](=O)[O-] ZINC000451070024 312810900 /nfs/dbraw/zinc/81/09/00/312810900.db2.gz GYGQFUBLSOAMGU-SSDOTTSWSA-N -1 3 342.751 2.879 20 5 EFBDHM CNc1nc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)ccc1[N+](=O)[O-] ZINC000456035040 313014948 /nfs/dbraw/zinc/01/49/48/313014948.db2.gz AMDDZYBJEZHXLX-JTQLQIEISA-N -1 3 342.355 2.891 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccccc2C)c1C ZINC000480957553 313285696 /nfs/dbraw/zinc/28/56/96/313285696.db2.gz PQBWMNMMWDBPJT-UHFFFAOYSA-N -1 3 334.397 2.999 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)Cc2ccncc2)cc1C ZINC000487115662 313368351 /nfs/dbraw/zinc/36/83/51/313368351.db2.gz INHNHJWXQMAANR-CYBMUJFWSA-N -1 3 349.412 2.516 20 5 EFBDHM COC(=O)Nc1ccc(C(=O)OCc2ccccc2[N+](=O)[O-])cc1[O-] ZINC000491948144 313820935 /nfs/dbraw/zinc/82/09/35/313820935.db2.gz KAGFZPNGODEBSP-UHFFFAOYSA-N -1 3 346.295 2.836 20 5 EFBDHM CC(C)(NC(=O)/C=C\c1cncc([O-])c1)c1ccccc1[N+](=O)[O-] ZINC000492801235 314130542 /nfs/dbraw/zinc/13/05/42/314130542.db2.gz QGAQWTFYKHXYKM-FPLPWBNLSA-N -1 3 327.340 2.760 20 5 EFBDHM O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])s1)[N-]OCCCO ZINC000493608629 314416990 /nfs/dbraw/zinc/41/69/90/314416990.db2.gz AHFPESYEBPQQHS-VQHVLOKHSA-N -1 3 348.380 2.767 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-]CCC2CCCCC2)c([N+](=O)[O-])c1 ZINC000506252513 315470623 /nfs/dbraw/zinc/47/06/23/315470623.db2.gz DFGJQSUSFFAHNI-UHFFFAOYSA-N -1 3 342.417 2.852 20 5 EFBDHM C[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000519966997 315929823 /nfs/dbraw/zinc/92/98/23/315929823.db2.gz JXEWETPASXZOQT-NSHDSACASA-N -1 3 338.360 2.816 20 5 EFBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000531485929 317273540 /nfs/dbraw/zinc/27/35/40/317273540.db2.gz JAQJIVFWUVTORZ-UHFFFAOYSA-N -1 3 332.337 2.820 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-]CCCc2cccs2)cc1[N+](=O)[O-] ZINC000546640602 317970280 /nfs/dbraw/zinc/97/02/80/317970280.db2.gz IEECCJVXBJGOOU-UHFFFAOYSA-N -1 3 346.455 2.937 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1C(=O)[N-]c1ncn(Cc2ccccc2)n1 ZINC000552993597 318267355 /nfs/dbraw/zinc/26/73/55/318267355.db2.gz IJLGYCJEVAANNY-UHFFFAOYSA-N -1 3 337.339 2.795 20 5 EFBDHM CCC(CC)Nc1ccncc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000558438034 318468340 /nfs/dbraw/zinc/46/83/40/318468340.db2.gz GJMKLPIZPHUQLK-UHFFFAOYSA-N -1 3 344.371 2.970 20 5 EFBDHM COCC1(C(=O)[O-])CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000563291074 318764981 /nfs/dbraw/zinc/76/49/81/318764981.db2.gz ZBYFBFYZXBOBOF-ZDUSSCGKSA-N -1 3 336.388 2.777 20 5 EFBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000566367405 319067905 /nfs/dbraw/zinc/06/79/05/319067905.db2.gz DMTVBNQTFGUHNJ-SJKOYZFVSA-N -1 3 336.388 2.925 20 5 EFBDHM C[C@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000567505228 319179003 /nfs/dbraw/zinc/17/90/03/319179003.db2.gz REHMQMYKLQMJFU-CHWSQXEVSA-N -1 3 335.404 2.754 20 5 EFBDHM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2cc(=O)[n-]cn2)no1 ZINC000567854539 319218290 /nfs/dbraw/zinc/21/82/90/319218290.db2.gz LLAAPMRTQFLFGW-LLVKDONJSA-N -1 3 341.327 2.877 20 5 EFBDHM O=c1[n-]cnc2c1CCN(c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C2 ZINC000570004411 319435152 /nfs/dbraw/zinc/43/51/52/319435152.db2.gz AMKOPSTUNLGKBN-UHFFFAOYSA-N -1 3 340.261 2.672 20 5 EFBDHM Cc1ccc([C@H](CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])N(C)C)cc1 ZINC000571565402 319585983 /nfs/dbraw/zinc/58/59/83/319585983.db2.gz IFNDIKGDZQKRAW-HNNXBMFYSA-N -1 3 344.371 2.711 20 5 EFBDHM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCN(CC3CCCCC3)CC2)c1 ZINC000577182870 320085434 /nfs/dbraw/zinc/08/54/34/320085434.db2.gz RTCFEEVSGBHLAF-UHFFFAOYSA-N -1 3 347.415 2.995 20 5 EFBDHM O=C(Nc1nc2c(s1)CCCCC2)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000012829204 323211032 /nfs/dbraw/zinc/21/10/32/323211032.db2.gz MQCHMHAIEZSGHI-UHFFFAOYSA-N -1 3 334.357 2.673 20 5 EFBDHM COc1cc(C(=O)[N-]c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)on1 ZINC000184131428 323357182 /nfs/dbraw/zinc/35/71/82/323357182.db2.gz XKQSWVARVQJSGF-UHFFFAOYSA-N -1 3 331.206 2.863 20 5 EFBDHM COC(=O)c1ccc(F)c([N-]C(=O)c2cc(OC)ccc2[N+](=O)[O-])c1 ZINC000146432453 473300421 /nfs/dbraw/zinc/30/04/21/473300421.db2.gz KAUWXQPCCIBKSE-UHFFFAOYSA-N -1 3 348.286 2.781 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccsc2)c([N+](=O)[O-])c1 ZINC000619752433 479874806 /nfs/dbraw/zinc/87/48/06/479874806.db2.gz ZSVRLNVHDYCKFS-VIFPVBQESA-N -1 3 342.398 2.704 20 5 EFBDHM CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc2n[n-]nc2c1 ZINC000008719800 471701223 /nfs/dbraw/zinc/70/12/23/471701223.db2.gz PJIZLRWNIREUSW-UHFFFAOYSA-N -1 3 345.746 2.792 20 5 EFBDHM Cc1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000011608607 471755665 /nfs/dbraw/zinc/75/56/65/471755665.db2.gz HDLSNXDOEXDHCH-UHFFFAOYSA-N -1 3 349.368 2.527 20 5 EFBDHM O=C(Nc1ccccc1[O-])C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000015141443 471892072 /nfs/dbraw/zinc/89/20/72/471892072.db2.gz KUTGIZTXKDZARH-UHFFFAOYSA-N -1 3 342.355 2.551 20 5 EFBDHM O=[N+]([O-])c1cccc(C[N-]S(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000067432170 472033426 /nfs/dbraw/zinc/03/34/26/472033426.db2.gz LOAMBFGZZVUHEB-UHFFFAOYSA-N -1 3 344.751 2.866 20 5 EFBDHM COc1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1F ZINC000053819686 472038180 /nfs/dbraw/zinc/03/81/80/472038180.db2.gz ORAZHQRYWNLVPS-UHFFFAOYSA-N -1 3 330.275 2.871 20 5 EFBDHM Cc1cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)n(C(C)(C)C)n1 ZINC000067681317 472071341 /nfs/dbraw/zinc/07/13/41/472071341.db2.gz JOYITFJXQCGQQH-UHFFFAOYSA-N -1 3 342.359 2.983 20 5 EFBDHM CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1c[n-]c2ccccc2c1=O ZINC000025007105 472077373 /nfs/dbraw/zinc/07/73/73/472077373.db2.gz QVRQVPKRLFWKOH-UHFFFAOYSA-N -1 3 337.335 2.709 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CCc2ccccc21 ZINC000042986640 472187857 /nfs/dbraw/zinc/18/78/57/472187857.db2.gz KMSBCVKNMCRESV-AWEZNQCLSA-N -1 3 348.380 2.569 20 5 EFBDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc([N+](=O)[O-])cc1Cl ZINC000029388738 472271936 /nfs/dbraw/zinc/27/19/36/472271936.db2.gz DEPGDEOESLEBAK-UHFFFAOYSA-N -1 3 335.629 2.637 20 5 EFBDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc([N+](=O)[O-])cc1Cl ZINC000029388738 472271942 /nfs/dbraw/zinc/27/19/42/472271942.db2.gz DEPGDEOESLEBAK-UHFFFAOYSA-N -1 3 335.629 2.637 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCc1ccc(Cl)s1 ZINC000056076794 472279346 /nfs/dbraw/zinc/27/93/46/472279346.db2.gz ZDNOKOMQGWPDRW-UHFFFAOYSA-N -1 3 346.817 2.831 20 5 EFBDHM Nc1nc(Sc2n[n-]c(-c3ccc(Cl)cc3)n2)ncc1[N+](=O)[O-] ZINC000076267767 472310040 /nfs/dbraw/zinc/31/00/40/472310040.db2.gz NJCDMFHHWNITRE-UHFFFAOYSA-N -1 3 349.763 2.557 20 5 EFBDHM Cn1c2ccc([N-]c3ncc([N+](=O)[O-])c(N)n3)cc2nc1C(C)(C)C ZINC000089649317 472480350 /nfs/dbraw/zinc/48/03/50/472480350.db2.gz QQMBTHVEAVUACU-UHFFFAOYSA-N -1 3 341.375 2.895 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)c2ccccn2)c1C ZINC000119343858 472547902 /nfs/dbraw/zinc/54/79/02/472547902.db2.gz VJRFWFYYFPKBTP-GFCCVEGCSA-N -1 3 335.385 2.646 20 5 EFBDHM C[C@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000077617284 472567406 /nfs/dbraw/zinc/56/74/06/472567406.db2.gz SDAYMOGQDSUJLQ-HZMBPMFUSA-N -1 3 336.369 2.790 20 5 EFBDHM O=C([N-]c1nnc(-c2ccccn2)s1)c1ccccc1[N+](=O)[O-] ZINC000046755646 472594654 /nfs/dbraw/zinc/59/46/54/472594654.db2.gz KISNORODBKCBPI-UHFFFAOYSA-N -1 3 327.325 2.761 20 5 EFBDHM Nc1c(C(=O)Nc2cc(Cl)ccc2[O-])cc(F)cc1[N+](=O)[O-] ZINC000102895911 472598256 /nfs/dbraw/zinc/59/82/56/472598256.db2.gz MQFJRGPEQCINGI-UHFFFAOYSA-N -1 3 325.683 2.927 20 5 EFBDHM CCCC(O)(CCC)C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000120238183 472655613 /nfs/dbraw/zinc/65/56/13/472655613.db2.gz IHVNHKDEOARCOQ-UHFFFAOYSA-N -1 3 344.433 2.513 20 5 EFBDHM Cc1ccc(CO)cc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000156341423 472693350 /nfs/dbraw/zinc/69/33/50/472693350.db2.gz UAMPAFFBCGBRES-UHFFFAOYSA-N -1 3 326.312 2.524 20 5 EFBDHM CO[C@@H](C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(C)(C)C ZINC000121150712 472807956 /nfs/dbraw/zinc/80/79/56/472807956.db2.gz LAYQUOJWDXGNNY-ZDUSSCGKSA-N -1 3 344.433 2.551 20 5 EFBDHM CCc1ncsc1C(=O)[N-]c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000121783150 472914379 /nfs/dbraw/zinc/91/43/79/472914379.db2.gz HACRBQAJVQIYGL-UHFFFAOYSA-N -1 3 335.341 2.653 20 5 EFBDHM COc1cc(C(=O)Nc2cc(C)ccc2[O-])c([N+](=O)[O-])cc1OC ZINC000050178825 472986148 /nfs/dbraw/zinc/98/61/48/472986148.db2.gz VRNFNWOAWSDTPR-UHFFFAOYSA-N -1 3 332.312 2.878 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-]Cc2ccccc2F)cc1[N+](=O)[O-] ZINC000122778289 473056115 /nfs/dbraw/zinc/05/61/15/473056115.db2.gz CBRJTRPOKDYJLS-UHFFFAOYSA-N -1 3 330.362 2.582 20 5 EFBDHM Cc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000080610569 473056496 /nfs/dbraw/zinc/05/64/96/473056496.db2.gz PZDWYWYKORFHLA-UHFFFAOYSA-N -1 3 341.367 2.571 20 5 EFBDHM Cc1ccc(N2CCN(C(=O)c3cccc([O-])c3)CC2)c([N+](=O)[O-])c1 ZINC000080610567 473057159 /nfs/dbraw/zinc/05/71/59/473057159.db2.gz PCLXREHCLQGACJ-UHFFFAOYSA-N -1 3 341.367 2.571 20 5 EFBDHM O=C([N-]c1ncc(Cc2cccc(F)c2)s1)c1n[nH]cc1[N+](=O)[O-] ZINC000159862371 473067722 /nfs/dbraw/zinc/06/77/22/473067722.db2.gz LNRRONPHTFIFKJ-UHFFFAOYSA-N -1 3 347.331 2.757 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)Cc2cccs2)cc1[N+](=O)[O-] ZINC000123089106 473095168 /nfs/dbraw/zinc/09/51/68/473095168.db2.gz FFQSBPZXWRZUDW-MRVPVSSYSA-N -1 3 346.455 2.936 20 5 EFBDHM O=C(CCn1cc([N+](=O)[O-])cn1)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000075092573 473121890 /nfs/dbraw/zinc/12/18/90/473121890.db2.gz XVIPGUNLISDMJG-UHFFFAOYSA-N -1 3 344.249 2.545 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-]C[C@]2(C)CCCS2)cc1[N+](=O)[O-] ZINC000125454072 473411692 /nfs/dbraw/zinc/41/16/92/473411692.db2.gz VPQNVHNFJVRRTC-NSHDSACASA-N -1 3 336.460 2.529 20 5 EFBDHM CCCc1[nH]nc(C(=O)[N-]c2nc(-c3ccc[nH]3)cs2)c1[N+](=O)[O-] ZINC000171746325 473451356 /nfs/dbraw/zinc/45/13/56/473451356.db2.gz SDHJMHUYRJKGHH-UHFFFAOYSA-N -1 3 346.372 2.974 20 5 EFBDHM O=C(c1cccc2[n-]nnc21)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000163671131 473461411 /nfs/dbraw/zinc/46/14/11/473461411.db2.gz QACYZDSHLSLBMG-UHFFFAOYSA-N -1 3 337.339 2.671 20 5 EFBDHM O=C(c1cccc2nn[n-]c21)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000163671131 473461415 /nfs/dbraw/zinc/46/14/15/473461415.db2.gz QACYZDSHLSLBMG-UHFFFAOYSA-N -1 3 337.339 2.671 20 5 EFBDHM O=C(c1cccc2n[n-]nc21)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000163671131 473461420 /nfs/dbraw/zinc/46/14/20/473461420.db2.gz QACYZDSHLSLBMG-UHFFFAOYSA-N -1 3 337.339 2.671 20 5 EFBDHM CSCCCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000185980319 473563356 /nfs/dbraw/zinc/56/33/56/473563356.db2.gz ZBJGMOTWBVNMKH-UHFFFAOYSA-N -1 3 336.410 2.546 20 5 EFBDHM Cc1nc([N-]C(=O)c2cc(COC(C)(C)C)on2)ccc1[N+](=O)[O-] ZINC000186290320 473640184 /nfs/dbraw/zinc/64/01/84/473640184.db2.gz KAEWCPNPXZPOJJ-UHFFFAOYSA-N -1 3 334.332 2.854 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C1(Cc2ccccc2)CC1 ZINC000186340711 473654730 /nfs/dbraw/zinc/65/47/30/473654730.db2.gz QYEXTNGXIQUOPL-UHFFFAOYSA-N -1 3 332.381 2.648 20 5 EFBDHM CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1ccc([O-])c(F)c1 ZINC000172625993 473661765 /nfs/dbraw/zinc/66/17/65/473661765.db2.gz LYKFYMDBNWEEKF-UHFFFAOYSA-N -1 3 333.319 2.781 20 5 EFBDHM Cc1c([N-]C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000269330045 473775216 /nfs/dbraw/zinc/77/52/16/473775216.db2.gz MEZDVBJJXNTQJK-UHFFFAOYSA-N -1 3 333.304 2.910 20 5 EFBDHM O=C(Nc1cc(CC2CCCCC2)[nH]n1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186991419 473797189 /nfs/dbraw/zinc/79/71/89/473797189.db2.gz QMRSGMCTJVQBQP-UHFFFAOYSA-N -1 3 345.359 2.794 20 5 EFBDHM O=C([N-][C@H](CCO)c1ccco1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000274501910 473851363 /nfs/dbraw/zinc/85/13/63/473851363.db2.gz FEUKWANPEVQEAB-GFCCVEGCSA-N -1 3 340.282 2.520 20 5 EFBDHM O=C(Nc1cc(F)ccc1[O-])c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000174889319 474112456 /nfs/dbraw/zinc/11/24/56/474112456.db2.gz YLVADSPNVGIJMI-UHFFFAOYSA-N -1 3 342.286 2.878 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CC(C)(C)OC1(C)C ZINC000183308556 474371790 /nfs/dbraw/zinc/37/17/90/474371790.db2.gz YTMMNHBEBJQTEG-LBPRGKRZSA-N -1 3 342.417 2.528 20 5 EFBDHM Cn1ncc([N+](=O)[O-])c1[N-]C(=O)c1cnc(-c2ccsc2)s1 ZINC000184412019 474511534 /nfs/dbraw/zinc/51/15/34/474511534.db2.gz MMNLRVJGPJXLGK-UHFFFAOYSA-N -1 3 335.370 2.766 20 5 EFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@]2(C)CCCS2)c1[N+](=O)[O-] ZINC000190071146 474544640 /nfs/dbraw/zinc/54/46/40/474544640.db2.gz GXBPCKDLVIAWGN-AWEZNQCLSA-N -1 3 344.458 2.776 20 5 EFBDHM C[C@]1([N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CCO[C@@H]1C1CC1 ZINC000273238880 474796292 /nfs/dbraw/zinc/79/62/92/474796292.db2.gz FTDCREXEJNTATI-HIFRSBDPSA-N -1 3 340.326 2.760 20 5 EFBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@]1(CO)Cc1ccccc1 ZINC000339117138 474943733 /nfs/dbraw/zinc/94/37/33/474943733.db2.gz BZQNRFRQKXJXLG-LJQANCHMSA-N -1 3 342.395 2.870 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCCSC2)cc1C ZINC000287403763 475133132 /nfs/dbraw/zinc/13/31/32/475133132.db2.gz KWZFGFNDHIOIEV-LBPRGKRZSA-N -1 3 344.458 2.633 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nc3ccc(Cl)cn3n2)c1 ZINC000337737546 475284324 /nfs/dbraw/zinc/28/43/24/475284324.db2.gz QITRFDLSJWROPO-UHFFFAOYSA-N -1 3 331.719 2.852 20 5 EFBDHM CC(C)(C)Cc1csc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)n1 ZINC000345647492 475333699 /nfs/dbraw/zinc/33/36/99/475333699.db2.gz BPIFGARSQXBVJO-UHFFFAOYSA-N -1 3 336.373 2.993 20 5 EFBDHM Nc1nc([N-]c2ccc3c(c2)nc2n3CCCCC2)ncc1[N+](=O)[O-] ZINC000341813976 475324589 /nfs/dbraw/zinc/32/45/89/475324589.db2.gz LWMNHZVGPZLPIM-UHFFFAOYSA-N -1 3 339.359 2.617 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000352472872 475328733 /nfs/dbraw/zinc/32/87/33/475328733.db2.gz LMNGMGRSUSSFPE-GDNZZTSVSA-N -1 3 342.417 2.706 20 5 EFBDHM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000352527792 475382565 /nfs/dbraw/zinc/38/25/65/475382565.db2.gz FIBBEIZTNFXMMB-SNVBAGLBSA-N -1 3 346.368 2.511 20 5 EFBDHM CCC[C@H]1CCc2nc([N-]C(=O)c3nn(C)cc3[N+](=O)[O-])sc2C1 ZINC000331765156 475406879 /nfs/dbraw/zinc/40/68/79/475406879.db2.gz KCYPFWMRNVZIFG-VIFPVBQESA-N -1 3 349.416 2.942 20 5 EFBDHM COc1cc(C(=O)Nc2c(C)cccc2[O-])cc([N+](=O)[O-])c1OC ZINC000352635157 475478978 /nfs/dbraw/zinc/47/89/78/475478978.db2.gz APKVSDWRTYDQQZ-UHFFFAOYSA-N -1 3 332.312 2.878 20 5 EFBDHM C[C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000352738779 475579494 /nfs/dbraw/zinc/57/94/94/475579494.db2.gz OAIAIDSULWWQAA-WDEREUQCSA-N -1 3 330.381 2.839 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000352739495 475581868 /nfs/dbraw/zinc/58/18/68/475581868.db2.gz ZBDJDHYUDJHTSX-VXGBXAGGSA-N -1 3 342.417 2.708 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000348315615 475585539 /nfs/dbraw/zinc/58/55/39/475585539.db2.gz UJFOWXSQUWACOS-CQSZACIVSA-N -1 3 346.408 2.912 20 5 EFBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1occ2c1CCC2 ZINC000352795045 475630948 /nfs/dbraw/zinc/63/09/48/475630948.db2.gz IQPKAGRESHXXGU-UHFFFAOYSA-N -1 3 338.323 2.741 20 5 EFBDHM CCOC1(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)CCCC1 ZINC000352795873 475632054 /nfs/dbraw/zinc/63/20/54/475632054.db2.gz LTLBVQYNNJBTGK-UHFFFAOYSA-N -1 3 344.371 2.695 20 5 EFBDHM CCc1cc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)ccc1[O-] ZINC000342989082 475676354 /nfs/dbraw/zinc/67/63/54/475676354.db2.gz MDYOEUXSORDRQM-UHFFFAOYSA-N -1 3 326.312 2.991 20 5 EFBDHM Cc1cc(C)cc(-c2nnc([N-]C(=O)c3cc([N+](=O)[O-])n[nH]3)s2)c1 ZINC000353093246 475689163 /nfs/dbraw/zinc/68/91/63/475689163.db2.gz VISRLZVQTWMZAZ-UHFFFAOYSA-N -1 3 344.356 2.706 20 5 EFBDHM Cc1nc([N-]C(=O)c2cc(-c3ccccn3)no2)ccc1[N+](=O)[O-] ZINC000355255388 475781241 /nfs/dbraw/zinc/78/12/41/475781241.db2.gz FSOYLUFTSHQQNB-UHFFFAOYSA-N -1 3 325.284 2.601 20 5 EFBDHM CCCCN1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000338420825 475887913 /nfs/dbraw/zinc/88/79/13/475887913.db2.gz GNJYDWGCXGALSE-CQSZACIVSA-N -1 3 335.404 2.685 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc2cn[nH]c2cc1C ZINC000358797593 475946863 /nfs/dbraw/zinc/94/68/63/475946863.db2.gz IIRVAXFHZPZSBQ-UHFFFAOYSA-N -1 3 346.368 2.889 20 5 EFBDHM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H]1C ZINC000340388909 476004135 /nfs/dbraw/zinc/00/41/35/476004135.db2.gz ASIGDCSJEYJYCC-GIPNMCIBSA-N -1 3 330.381 2.837 20 5 EFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1c(F)cccc1F ZINC000340498247 476068700 /nfs/dbraw/zinc/06/87/00/476068700.db2.gz LFIVBUFPZMHBEC-SECBINFHSA-N -1 3 342.323 2.913 20 5 EFBDHM COc1cc(C(=O)[N-]c2nc3cc(Cl)ccn3n2)ccc1[N+](=O)[O-] ZINC000362298051 476151327 /nfs/dbraw/zinc/15/13/27/476151327.db2.gz SCGVOOGYSLXRQI-UHFFFAOYSA-N -1 3 347.718 2.552 20 5 EFBDHM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000340635388 476169362 /nfs/dbraw/zinc/16/93/62/476169362.db2.gz DZYJUGVCKZWAFW-UHFFFAOYSA-N -1 3 349.412 2.766 20 5 EFBDHM COc1ccc([N-]S(=O)(=O)CCc2cccs2)cc1[N+](=O)[O-] ZINC000357093376 476226028 /nfs/dbraw/zinc/22/60/28/476226028.db2.gz YFZCVJRDMGVENQ-UHFFFAOYSA-N -1 3 342.398 2.649 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(C3CCOCC3)s2)c1 ZINC000359616711 476252638 /nfs/dbraw/zinc/25/26/38/476252638.db2.gz JKMOLJDYIPQDDQ-UHFFFAOYSA-N -1 3 348.384 2.901 20 5 EFBDHM COC(=O)c1sccc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000362534738 476299854 /nfs/dbraw/zinc/29/98/54/476299854.db2.gz QYJJDWOPRDFPHN-UHFFFAOYSA-N -1 3 346.324 2.572 20 5 EFBDHM C[C@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000377391891 476379744 /nfs/dbraw/zinc/37/97/44/476379744.db2.gz USPPJFMOJWSGIB-BZNIZROVSA-N -1 3 348.380 2.536 20 5 EFBDHM COc1cccc2c(C(=O)N3CCc4c3cccc4[N+](=O)[O-])[n-]nc21 ZINC000362806196 476417557 /nfs/dbraw/zinc/41/75/57/476417557.db2.gz CERXRANPCHYJGP-UHFFFAOYSA-N -1 3 338.323 2.683 20 5 EFBDHM COc1cccc2c(C(=O)N3CCc4c3cccc4[N+](=O)[O-])n[n-]c21 ZINC000362806196 476417564 /nfs/dbraw/zinc/41/75/64/476417564.db2.gz CERXRANPCHYJGP-UHFFFAOYSA-N -1 3 338.323 2.683 20 5 EFBDHM Cc1cc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])ccn1 ZINC000362826688 476428516 /nfs/dbraw/zinc/42/85/16/476428516.db2.gz NPXSCVRZMGDZIV-UHFFFAOYSA-N -1 3 342.174 2.796 20 5 EFBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1cc(F)ccc1F ZINC000354130539 476447490 /nfs/dbraw/zinc/44/74/90/476447490.db2.gz ABRYSXDFASQDPI-UHFFFAOYSA-N -1 3 344.277 2.937 20 5 EFBDHM Cc1[nH]nc(C(=O)[N-]c2ccc(Br)cc2F)c1[N+](=O)[O-] ZINC000354222486 476515318 /nfs/dbraw/zinc/51/53/18/476515318.db2.gz ODMIMTHMBOAAFI-UHFFFAOYSA-N -1 3 343.112 2.780 20 5 EFBDHM COc1cc(CN=c2[nH]c3cccc(C)c3o2)c([N+](=O)[O-])cc1[O-] ZINC000357710287 476552350 /nfs/dbraw/zinc/55/23/50/476552350.db2.gz OBVPHUJLEZSVKS-UHFFFAOYSA-N -1 3 329.312 2.793 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]CC2(C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000352338505 476646644 /nfs/dbraw/zinc/64/66/44/476646644.db2.gz SIJODHKCPKISJU-UHFFFAOYSA-N -1 3 338.307 2.524 20 5 EFBDHM Cc1ccccc1-c1cc(=NC(=O)c2c(N)cccc2[N+](=O)[O-])[nH][n-]1 ZINC000354496071 476686951 /nfs/dbraw/zinc/68/69/51/476686951.db2.gz WPKLHSSUZNWKSK-UHFFFAOYSA-N -1 3 337.339 2.550 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CC[C@H](C)C[C@H]1C ZINC000354510535 476698820 /nfs/dbraw/zinc/69/88/20/476698820.db2.gz NWQCOGAHDXTDEB-DMDPSCGWSA-N -1 3 342.417 2.706 20 5 EFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H]2CCC(F)(F)C2)c1[N+](=O)[O-] ZINC000429914941 476716251 /nfs/dbraw/zinc/71/62/51/476716251.db2.gz WBVHSANJKZGCSS-LLVKDONJSA-N -1 3 348.371 2.925 20 5 EFBDHM Cc1[nH]nc(C(=O)[N-]c2nc3c(s2)CC(C)(C)CC3)c1[N+](=O)[O-] ZINC000416358830 477144518 /nfs/dbraw/zinc/14/45/18/477144518.db2.gz KJYQBOIFOSMIFX-UHFFFAOYSA-N -1 3 335.389 2.850 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-][C@H](C2CC2)C2CCC2)cc1[N+](=O)[O-] ZINC000416510516 477195791 /nfs/dbraw/zinc/19/57/91/477195791.db2.gz ILVDTQVFTWNPQC-ZDUSSCGKSA-N -1 3 330.431 2.822 20 5 EFBDHM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416517430 477197114 /nfs/dbraw/zinc/19/71/14/477197114.db2.gz BBAMNICUHOABEE-VXNVDRBHSA-N -1 3 338.307 2.690 20 5 EFBDHM CC(C)(C(=O)Nc1nnc(C(F)(F)F)[n-]1)c1ccccc1[N+](=O)[O-] ZINC000432410648 477212736 /nfs/dbraw/zinc/21/27/36/477212736.db2.gz QRACTZFWUUOVFU-UHFFFAOYSA-N -1 3 343.265 2.648 20 5 EFBDHM CC(C)(C(=O)Nc1nc(C(F)(F)F)n[n-]1)c1ccccc1[N+](=O)[O-] ZINC000432410648 477212740 /nfs/dbraw/zinc/21/27/40/477212740.db2.gz QRACTZFWUUOVFU-UHFFFAOYSA-N -1 3 343.265 2.648 20 5 EFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C(C)(C)COC(C)C)c1[N+](=O)[O-] ZINC000416626740 477241947 /nfs/dbraw/zinc/24/19/47/477241947.db2.gz SWHIMFYPBKLINF-UHFFFAOYSA-N -1 3 344.433 2.694 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccco2)cc1C ZINC000416648999 477249510 /nfs/dbraw/zinc/24/95/10/477249510.db2.gz ITNWQCFNLRYYOC-VXGBXAGGSA-N -1 3 336.369 2.639 20 5 EFBDHM CN(C)CCN(Cc1ccsc1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000458208537 477320900 /nfs/dbraw/zinc/32/09/00/477320900.db2.gz XFSYLTIMWPJVCQ-UHFFFAOYSA-N -1 3 349.412 2.566 20 5 EFBDHM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC2(CCC2)c2ccccc21 ZINC000376456112 477344158 /nfs/dbraw/zinc/34/41/58/477344158.db2.gz VJUWDSUMMHWHFG-UHFFFAOYSA-N -1 3 325.324 2.778 20 5 EFBDHM COc1ccc(NC(=O)c2n[n-]nc2-c2ccccc2)cc1[N+](=O)[O-] ZINC000435801921 477372969 /nfs/dbraw/zinc/37/29/69/477372969.db2.gz WSAQRYBGWZGTJA-UHFFFAOYSA-N -1 3 339.311 2.641 20 5 EFBDHM O=C(c1ccc(O)cc1[O-])N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000436616274 477533995 /nfs/dbraw/zinc/53/39/95/477533995.db2.gz DKHNOSUXGDRWFP-INIZCTEOSA-N -1 3 346.364 2.894 20 5 EFBDHM Cc1cc(NCCNC(=O)c2ccc([O-])cc2)c(F)cc1[N+](=O)[O-] ZINC000436625898 477537440 /nfs/dbraw/zinc/53/74/40/477537440.db2.gz NSKXJIFPTBMSGQ-UHFFFAOYSA-N -1 3 333.319 2.590 20 5 EFBDHM CCc1ccc(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)c([O-])c1 ZINC000436805292 477596138 /nfs/dbraw/zinc/59/61/38/477596138.db2.gz RNFFJMKBCOCJNR-UHFFFAOYSA-N -1 3 330.340 2.801 20 5 EFBDHM CCc1ccc(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)c([O-])c1 ZINC000436814626 477599300 /nfs/dbraw/zinc/59/93/00/477599300.db2.gz SSWWCXCXZPNWAY-UHFFFAOYSA-N -1 3 330.340 2.801 20 5 EFBDHM COC(=O)c1ccc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2F)c1[O-] ZINC000436824497 477602960 /nfs/dbraw/zinc/60/29/60/477602960.db2.gz BMVQUMQDBALGIX-UHFFFAOYSA-N -1 3 348.286 2.787 20 5 EFBDHM C[C@@H]1CCCN(C(C)(C)CNC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000436913168 477633597 /nfs/dbraw/zinc/63/35/97/477633597.db2.gz ZTTHPWXAHYRQIV-GFCCVEGCSA-N -1 3 335.404 2.541 20 5 EFBDHM CCCCN1CCCC[C@@H]1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436957448 477647876 /nfs/dbraw/zinc/64/78/76/477647876.db2.gz UULRBDHZGWCEPO-CQSZACIVSA-N -1 3 335.404 2.685 20 5 EFBDHM CC(C)C[C@@H](C)n1nccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000426882985 477756855 /nfs/dbraw/zinc/75/68/55/477756855.db2.gz QQLQLPDPVISBDH-SNVBAGLBSA-N -1 3 333.348 2.751 20 5 EFBDHM COCc1nocc1C(=O)[N-]c1cc([N+](=O)[O-])ccc1NC(C)C ZINC000456160380 477803697 /nfs/dbraw/zinc/80/36/97/477803697.db2.gz HVDKQHXGGDGLJG-UHFFFAOYSA-N -1 3 334.332 2.802 20 5 EFBDHM CC(C)(NC(=O)c1cccc2nn[n-]c21)c1ccccc1[N+](=O)[O-] ZINC000557967350 477835503 /nfs/dbraw/zinc/83/55/03/477835503.db2.gz DIXDKHPVUVOEFY-UHFFFAOYSA-N -1 3 325.328 2.531 20 5 EFBDHM CC(C)(NC(=O)c1cccc2[n-]nnc21)c1ccccc1[N+](=O)[O-] ZINC000557967350 477835511 /nfs/dbraw/zinc/83/55/11/477835511.db2.gz DIXDKHPVUVOEFY-UHFFFAOYSA-N -1 3 325.328 2.531 20 5 EFBDHM CC(C)(NC(=O)c1cccc2n[n-]nc21)c1ccccc1[N+](=O)[O-] ZINC000557967350 477835517 /nfs/dbraw/zinc/83/55/17/477835517.db2.gz DIXDKHPVUVOEFY-UHFFFAOYSA-N -1 3 325.328 2.531 20 5 EFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H]2CCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000493889519 477870945 /nfs/dbraw/zinc/87/09/45/477870945.db2.gz VYXVCQBNGRLONY-VIFPVBQESA-N -1 3 346.380 2.600 20 5 EFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H]2CCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000493889518 477871145 /nfs/dbraw/zinc/87/11/45/477871145.db2.gz VYXVCQBNGRLONY-SECBINFHSA-N -1 3 346.380 2.600 20 5 EFBDHM Cc1[nH]nc(C(=O)[N-]c2nc(-c3cccc(O)c3)cs2)c1[N+](=O)[O-] ZINC000439526245 477997072 /nfs/dbraw/zinc/99/70/72/477997072.db2.gz QBSFHJCZVZMSDT-UHFFFAOYSA-N -1 3 345.340 2.708 20 5 EFBDHM C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2OCC[C@@H]2C(=O)[O-])CC1 ZINC000570729561 478432943 /nfs/dbraw/zinc/43/29/43/478432943.db2.gz NWWRVWABKDHIKA-ZLIFDBKOSA-N -1 3 348.399 2.858 20 5 EFBDHM Cc1ccc([C@@H](CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])N(C)C)cc1 ZINC000581887666 478459224 /nfs/dbraw/zinc/45/92/24/478459224.db2.gz ZEQOILVIRKAXEW-CQSZACIVSA-N -1 3 344.371 2.711 20 5 EFBDHM COc1cc(CN2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000600675089 478463611 /nfs/dbraw/zinc/46/36/11/478463611.db2.gz OPVNSLVKEGILLY-IHRRRGAJSA-N -1 3 334.372 2.679 20 5 EFBDHM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000581921030 478465500 /nfs/dbraw/zinc/46/55/00/478465500.db2.gz DVYLUEJJEVGMDB-SNVBAGLBSA-N -1 3 338.327 2.517 20 5 EFBDHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000581921030 478465510 /nfs/dbraw/zinc/46/55/10/478465510.db2.gz DVYLUEJJEVGMDB-SNVBAGLBSA-N -1 3 338.327 2.517 20 5 EFBDHM CN(C)[C@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])c1cccc(F)c1 ZINC000571093634 478518414 /nfs/dbraw/zinc/51/84/14/478518414.db2.gz RYPUKIJMQFSZCU-CYBMUJFWSA-N -1 3 348.334 2.542 20 5 EFBDHM CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594750927 478529936 /nfs/dbraw/zinc/52/99/36/478529936.db2.gz QSZHMTVKAIOOQZ-MNOVXSKESA-N -1 3 337.401 2.856 20 5 EFBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]C[C@@H]1CC=CCC1 ZINC000594751791 478530670 /nfs/dbraw/zinc/53/06/70/478530670.db2.gz BMNYPCRLSNWISN-GFCCVEGCSA-N -1 3 347.396 2.778 20 5 EFBDHM CC1([N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])CCCC1 ZINC000594751612 478530756 /nfs/dbraw/zinc/53/07/56/478530756.db2.gz YOXGUZSJSCNTBL-UHFFFAOYSA-N -1 3 335.385 2.754 20 5 EFBDHM CCC1(C[N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000594763386 478534000 /nfs/dbraw/zinc/53/40/00/478534000.db2.gz QQGGQYCRKWRXID-UHFFFAOYSA-N -1 3 335.385 2.612 20 5 EFBDHM CC(C)(F)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000594851419 478560548 /nfs/dbraw/zinc/56/05/48/478560548.db2.gz JJJPENDQGRRIGR-UHFFFAOYSA-N -1 3 341.364 2.560 20 5 EFBDHM CC[C@@H](C)C[C@H](C)[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000491561409 478589116 /nfs/dbraw/zinc/58/91/16/478589116.db2.gz SSBGBHMDAUVWSM-ZJUUUORDSA-N -1 3 348.396 2.846 20 5 EFBDHM CN(C)[C@@H](CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])Cc1ccccc1 ZINC000563813800 478638194 /nfs/dbraw/zinc/63/81/94/478638194.db2.gz PJZLDNTWIGZJJE-OAHLLOKOSA-N -1 3 343.383 2.878 20 5 EFBDHM CN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000595279705 478711728 /nfs/dbraw/zinc/71/17/28/478711728.db2.gz XZIBFAZWERGQSO-DKTWLAJQSA-N -1 3 332.278 2.909 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H](F)C2)c(Cl)c1 ZINC000592062470 478760588 /nfs/dbraw/zinc/76/05/88/478760588.db2.gz FPOPIOGQIKOECG-DTWKUNHWSA-N -1 3 336.772 2.807 20 5 EFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2CCC[C@H](F)C2)c1[N+](=O)[O-] ZINC000592062519 478760617 /nfs/dbraw/zinc/76/06/17/478760617.db2.gz KHSGCGVKGIHQOY-RYUDHWBXSA-N -1 3 330.381 2.771 20 5 EFBDHM CCOc1cc(CNC(C)(C)c2nc(C)cc(=O)[n-]2)ccc1[N+](=O)[O-] ZINC000595526171 478836279 /nfs/dbraw/zinc/83/62/79/478836279.db2.gz KXYCRIVXGNWGQB-UHFFFAOYSA-N -1 3 346.387 2.822 20 5 EFBDHM O=C([O-])[C@]1(c2ccccc2)CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000583387004 478839894 /nfs/dbraw/zinc/83/98/94/478839894.db2.gz VPRKSNDPIJABIY-GOSISDBHSA-N -1 3 326.352 2.823 20 5 EFBDHM O=C([O-])[C@@H](c1ccccc1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000572609629 478880513 /nfs/dbraw/zinc/88/05/13/478880513.db2.gz WVMCFBXDAUSJKE-QGZVFWFLSA-N -1 3 341.367 2.543 20 5 EFBDHM O=c1[n-]ccc(NC[C@H](c2ccco2)N2CCCCC2)c1[N+](=O)[O-] ZINC000596055530 479110949 /nfs/dbraw/zinc/11/09/49/479110949.db2.gz WJIJJBRDTWWOPD-CYBMUJFWSA-N -1 3 332.360 2.928 20 5 EFBDHM CCN(CC)C(=O)c1ccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000596059016 479114204 /nfs/dbraw/zinc/11/42/04/479114204.db2.gz DNSCPXUGIXIPQN-UHFFFAOYSA-N -1 3 330.344 2.921 20 5 EFBDHM COc1ccccc1N1CC[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596102937 479139547 /nfs/dbraw/zinc/13/95/47/479139547.db2.gz FEKRUXLQJDVMNX-GFCCVEGCSA-N -1 3 344.371 2.642 20 5 EFBDHM COC(=O)CCCOc1ccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000596121584 479150189 /nfs/dbraw/zinc/15/01/89/479150189.db2.gz FNWMVXWENAJEEW-UHFFFAOYSA-N -1 3 347.327 2.771 20 5 EFBDHM COc1cc2c(cc1CNc1cc[n-]c(=O)c1[N+](=O)[O-])O[C@H](C)C2 ZINC000596170737 479178550 /nfs/dbraw/zinc/17/85/50/479178550.db2.gz WSXTVPHTNQDHKS-SECBINFHSA-N -1 3 331.328 2.640 20 5 EFBDHM O=c1[n-]ccc(N2CCC(CO)(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000596212971 479202929 /nfs/dbraw/zinc/20/29/29/479202929.db2.gz PSNFGVGDKKCDBF-UHFFFAOYSA-N -1 3 343.383 2.517 20 5 EFBDHM Cc1cccc(CC2(O)CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)c1 ZINC000596218054 479205727 /nfs/dbraw/zinc/20/57/27/479205727.db2.gz SHUDCILXMWSGPG-UHFFFAOYSA-N -1 3 343.383 2.578 20 5 EFBDHM COCCCOc1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000596234471 479214746 /nfs/dbraw/zinc/21/47/46/479214746.db2.gz SOHLNRYEGDQKEW-UHFFFAOYSA-N -1 3 333.344 2.723 20 5 EFBDHM COc1ccc2c(c1)C1(CC1)CN(c1cc[n-]c(=O)c1[N+](=O)[O-])C2 ZINC000596235651 479215893 /nfs/dbraw/zinc/21/58/93/479215893.db2.gz DEWNSVDTHKBLNQ-UHFFFAOYSA-N -1 3 327.340 2.756 20 5 EFBDHM O=C([O-])[C@H]1CCC[C@@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000569971653 479220104 /nfs/dbraw/zinc/22/01/04/479220104.db2.gz COQICYGNQULURZ-GXSJLCMTSA-N -1 3 344.314 2.929 20 5 EFBDHM O=c1[n-]ccc(N2CCC[C@@](CO)(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596242203 479220139 /nfs/dbraw/zinc/22/01/39/479220139.db2.gz RCNBHDSXAVAIGJ-GOSISDBHSA-N -1 3 343.383 2.517 20 5 EFBDHM CC[C@](CNc1cc[n-]c(=O)c1[N+](=O)[O-])(C(=O)OC)c1ccccc1 ZINC000596276099 479235150 /nfs/dbraw/zinc/23/51/50/479235150.db2.gz FMOATFBIOHDXPD-QGZVFWFLSA-N -1 3 345.355 2.628 20 5 EFBDHM CCOC(=O)C[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])CC(C)C ZINC000596290161 479240775 /nfs/dbraw/zinc/24/07/75/479240775.db2.gz KPWBELUOAYDDLD-NSHDSACASA-N -1 3 325.365 2.723 20 5 EFBDHM CCC[C@H](C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])OCC ZINC000599367879 479273796 /nfs/dbraw/zinc/27/37/96/479273796.db2.gz OLOYZJBMHJIMOM-CYBMUJFWSA-N -1 3 344.433 2.695 20 5 EFBDHM O=C(Nc1nc2ccccc2n1C1CC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000611113543 479285385 /nfs/dbraw/zinc/28/53/85/479285385.db2.gz ZOMMPEJPWMZYDY-UHFFFAOYSA-N -1 3 339.311 2.632 20 5 EFBDHM CO[C@@](C)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])COCc1ccccc1 ZINC000596426147 479290623 /nfs/dbraw/zinc/29/06/23/479290623.db2.gz NUAABJIUCFBGCZ-KRWDZBQOSA-N -1 3 347.371 2.729 20 5 EFBDHM CS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000593624309 479406825 /nfs/dbraw/zinc/40/68/25/479406825.db2.gz VOBQDSLJJUFTDN-VXGBXAGGSA-N -1 3 348.421 2.686 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(C3CCC3)CC2)c(Cl)c1 ZINC000593644295 479411686 /nfs/dbraw/zinc/41/16/86/479411686.db2.gz QSMACHOXCBYBFP-UHFFFAOYSA-N -1 3 330.793 2.859 20 5 EFBDHM CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000603957516 479457849 /nfs/dbraw/zinc/45/78/49/479457849.db2.gz QLIVLQDXKXPLFP-GWCFXTLKSA-N -1 3 330.381 2.981 20 5 EFBDHM O=C(Nc1ccccc1NC1CCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000593814916 479470930 /nfs/dbraw/zinc/47/09/30/479470930.db2.gz WFABFAQVUXIISL-UHFFFAOYSA-N -1 3 328.328 2.912 20 5 EFBDHM CN(CCN1CCCCC1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000593884573 479496426 /nfs/dbraw/zinc/49/64/26/479496426.db2.gz ZUPBEUHMCFRLBJ-UHFFFAOYSA-N -1 3 341.795 2.512 20 5 EFBDHM CC(C)(CC(F)(F)F)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000614857115 479529657 /nfs/dbraw/zinc/52/96/57/479529657.db2.gz YVVLADBONZWFSL-UHFFFAOYSA-N -1 3 326.296 2.604 20 5 EFBDHM Cc1cc(S(=O)(=O)[N-]Cc2ccsc2)c(F)cc1[N+](=O)[O-] ZINC000590592027 479664799 /nfs/dbraw/zinc/66/47/99/479664799.db2.gz ZRUKPCRIOBKFQB-UHFFFAOYSA-N -1 3 330.362 2.582 20 5 EFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CCC[C@H](C)[C@H]1C ZINC000619472971 479804191 /nfs/dbraw/zinc/80/41/91/479804191.db2.gz SMZJFBIGPRNNLG-QJPTWQEYSA-N -1 3 342.417 2.706 20 5 EFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000619472969 479804455 /nfs/dbraw/zinc/80/44/55/479804455.db2.gz SMZJFBIGPRNNLG-GRYCIOLGSA-N -1 3 342.417 2.706 20 5 EFBDHM O=C(NCc1ccc([O-])c(F)c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000610011844 480228302 /nfs/dbraw/zinc/22/83/02/480228302.db2.gz YBUQQBIAPLVTLE-UHFFFAOYSA-N -1 3 329.287 2.851 20 5 EFBDHM CC[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000610136584 480242296 /nfs/dbraw/zinc/24/22/96/480242296.db2.gz RVSCPLVINIBCHT-NWDGAFQWSA-N -1 3 342.417 2.851 20 5 EFBDHM COC(=O)c1ccc(F)c([N-]C(=O)c2ccc(F)cc2[N+](=O)[O-])c1 ZINC000160801209 534178889 /nfs/dbraw/zinc/17/88/89/534178889.db2.gz QHSDGQNYRSZZGL-UHFFFAOYSA-N -1 3 336.250 2.912 20 5 EFBDHM O=C(Nc1cccc(COCC2CC2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187022469 534344214 /nfs/dbraw/zinc/34/42/14/534344214.db2.gz PHEFJAXQNMQNCJ-UHFFFAOYSA-N -1 3 343.339 2.874 20 5 EFBDHM CCC(CC)(CNCc1cc(OC)c(OC)cc1[N+](=O)[O-])C(=O)[O-] ZINC000263023709 521441828 /nfs/dbraw/zinc/44/18/28/521441828.db2.gz FUGJVIOJAJHLFD-UHFFFAOYSA-N -1 3 340.376 2.593 20 5 EFBDHM COC(=O)c1cc([N-]C(=O)c2cccc(F)c2F)cc([N+](=O)[O-])c1 ZINC000118723769 521891852 /nfs/dbraw/zinc/89/18/52/521891852.db2.gz FTHOVAFDDJJYMZ-UHFFFAOYSA-N -1 3 336.250 2.912 20 5 EFBDHM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c(CN(C)C)c1 ZINC000073129350 525240819 /nfs/dbraw/zinc/24/08/19/525240819.db2.gz WUUMEXFITLWZPV-UHFFFAOYSA-N -1 3 329.356 2.923 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2cccs2)c1C ZINC000119301350 526067406 /nfs/dbraw/zinc/06/74/06/526067406.db2.gz CNLHTZQTMDTQNU-UHFFFAOYSA-N -1 3 326.399 2.752 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccc(F)cc2)c1C ZINC000119284260 526068163 /nfs/dbraw/zinc/06/81/63/526068163.db2.gz NZRPBLNOTOEKIQ-UHFFFAOYSA-N -1 3 338.360 2.829 20 5 EFBDHM O=C(NCCCNc1cccc(F)c1[N+](=O)[O-])c1cccc([O-])c1 ZINC000078727543 527677371 /nfs/dbraw/zinc/67/73/71/527677371.db2.gz DXFNJIWWERJBEC-UHFFFAOYSA-N -1 3 333.319 2.672 20 5 EFBDHM CC(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000162683909 528067310 /nfs/dbraw/zinc/06/73/10/528067310.db2.gz VDLJXRMJBREZKS-UHFFFAOYSA-N -1 3 326.296 2.548 20 5 EFBDHM CC1(C)CCc2sc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)nc21 ZINC000422112958 535332126 /nfs/dbraw/zinc/33/21/26/535332126.db2.gz KHPOWQRAHUJMAM-UHFFFAOYSA-N -1 3 334.357 2.628 20 5 EFBDHM CCSCc1ccnc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000342449496 535696905 /nfs/dbraw/zinc/69/69/05/535696905.db2.gz RNQQCWNPQSAOHJ-UHFFFAOYSA-N -1 3 334.357 2.596 20 5 EFBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])c1ccncc1 ZINC000360490536 535807117 /nfs/dbraw/zinc/80/71/17/535807117.db2.gz OLTUNPSPNDZKNV-CYBMUJFWSA-N -1 3 335.385 2.728 20 5 EFBDHM COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cc([O-])ccc1Cl ZINC000346389171 536955426 /nfs/dbraw/zinc/95/54/26/536955426.db2.gz BGZNSLKADYWUFI-UHFFFAOYSA-N -1 3 336.731 2.892 20 5 EFBDHM COc1ccc([N-]C(=O)c2ccc([N+](=O)[O-])cc2OC)c([N+](=O)[O-])c1 ZINC000756627540 575769855 /nfs/dbraw/zinc/76/98/55/575769855.db2.gz PZBQAURZHBICOM-UHFFFAOYSA-N -1 3 347.283 2.773 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCNc2ccccc2)cc1C ZINC000759098992 575884548 /nfs/dbraw/zinc/88/45/48/575884548.db2.gz NOKNPZILRJPMNU-UHFFFAOYSA-N -1 3 349.412 2.602 20 5 EFBDHM O=C(Nc1ccc([O-])cc1F)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000762814279 576333983 /nfs/dbraw/zinc/33/39/83/576333983.db2.gz CWCJVTGEIOUPPK-UHFFFAOYSA-N -1 3 334.288 2.697 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCNc2ccccc2)c1C ZINC000765207325 577019055 /nfs/dbraw/zinc/01/90/55/577019055.db2.gz FLVGIKLEHMNJHQ-UHFFFAOYSA-N -1 3 349.412 2.602 20 5 EFBDHM Cc1ccsc1CC[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768883029 577313816 /nfs/dbraw/zinc/31/38/16/577313816.db2.gz RCVNKXCJZNSMAM-UHFFFAOYSA-N -1 3 332.428 2.547 20 5 EFBDHM CC(C)C[C@H]1C[C@@H]([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)CCO1 ZINC000768886442 577314223 /nfs/dbraw/zinc/31/42/23/577314223.db2.gz DLAHJFLNOJXNFL-QWRGUYRKSA-N -1 3 348.446 2.528 20 5 EFBDHM Cc1sc(C(N)=O)cc1[N-]C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000769701125 577379365 /nfs/dbraw/zinc/37/93/65/577379365.db2.gz HJKLYUVFOVDNFQ-UHFFFAOYSA-N -1 3 341.295 2.594 20 5 EFBDHM Cc1nc2cc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)ccc2s1 ZINC000770709694 581128524 /nfs/dbraw/zinc/12/85/24/581128524.db2.gz OJTSIZDVDCSLCW-UHFFFAOYSA-N -1 3 330.325 2.866 20 5 EFBDHM O=c1[n-]cnc2c1CCN(c1c(Cl)cc([N+](=O)[O-])cc1Cl)C2 ZINC000772159892 581290339 /nfs/dbraw/zinc/29/03/39/581290339.db2.gz MROPXTLCSFABGM-UHFFFAOYSA-N -1 3 341.154 2.960 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1c([O-])cccc1F ZINC000772595835 581345282 /nfs/dbraw/zinc/34/52/82/581345282.db2.gz LLZRJRFFOJIUST-UHFFFAOYSA-N -1 3 348.286 2.543 20 5 EFBDHM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cc3c(cc1[O-])OCO3)CC2 ZINC000773996733 581477761 /nfs/dbraw/zinc/47/77/61/581477761.db2.gz ORNQGDMIKOVGJN-UHFFFAOYSA-N -1 3 342.307 2.540 20 5 EFBDHM C[C@H]1CCCC[C@H]1CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736271930 598913942 /nfs/dbraw/zinc/91/39/42/598913942.db2.gz PIIXGXJHHZJPLC-QWRGUYRKSA-N -1 3 331.380 2.798 20 5 EFBDHM C[C@H]1CCCC[C@H]1CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736271930 598913944 /nfs/dbraw/zinc/91/39/44/598913944.db2.gz PIIXGXJHHZJPLC-QWRGUYRKSA-N -1 3 331.380 2.798 20 5 EFBDHM Cc1cc(Oc2ncc(-c3nnn[n-]3)cc2Cl)ccc1[N+](=O)[O-] ZINC000737278621 598935919 /nfs/dbraw/zinc/93/59/19/598935919.db2.gz CBAGFIWDUMJJPE-UHFFFAOYSA-N -1 3 332.707 2.924 20 5 EFBDHM Cc1cc(Oc2ncc(-c3nn[n-]n3)cc2Cl)ccc1[N+](=O)[O-] ZINC000737278621 598935920 /nfs/dbraw/zinc/93/59/20/598935920.db2.gz CBAGFIWDUMJJPE-UHFFFAOYSA-N -1 3 332.707 2.924 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822333113 599048285 /nfs/dbraw/zinc/04/82/85/599048285.db2.gz WYXYXLCTNDXONU-UHFFFAOYSA-N -1 3 340.343 2.574 20 5 EFBDHM C[C@@H](CCc1cccn1C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820254275 599054792 /nfs/dbraw/zinc/05/47/92/599054792.db2.gz OHYBNJDHYXERSA-NSHDSACASA-N -1 3 341.375 2.547 20 5 EFBDHM C[C@@H](CCc1cccn1C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820254275 599054793 /nfs/dbraw/zinc/05/47/93/599054793.db2.gz OHYBNJDHYXERSA-NSHDSACASA-N -1 3 341.375 2.547 20 5 EFBDHM CCS[C@H]1CC[C@H](N(C)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000821446680 599098397 /nfs/dbraw/zinc/09/83/97/599098397.db2.gz CHHBANJITVSUGZ-RYUDHWBXSA-N -1 3 348.432 2.885 20 5 EFBDHM CCS[C@H]1CC[C@H](N(C)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000821446680 599098399 /nfs/dbraw/zinc/09/83/99/599098399.db2.gz CHHBANJITVSUGZ-RYUDHWBXSA-N -1 3 348.432 2.885 20 5 EFBDHM C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000820462082 599252329 /nfs/dbraw/zinc/25/23/29/599252329.db2.gz URELZAXRIBXCFZ-QMMMGPOBSA-N -1 3 345.750 2.996 20 5 EFBDHM C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000820462082 599252332 /nfs/dbraw/zinc/25/23/32/599252332.db2.gz URELZAXRIBXCFZ-QMMMGPOBSA-N -1 3 345.750 2.996 20 5 EFBDHM CC(C)CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000735811609 599252660 /nfs/dbraw/zinc/25/26/60/599252660.db2.gz NMQYAUSCUUDMRV-UHFFFAOYSA-N -1 3 327.348 2.781 20 5 EFBDHM CC(C)CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000735811609 599252661 /nfs/dbraw/zinc/25/26/61/599252661.db2.gz NMQYAUSCUUDMRV-UHFFFAOYSA-N -1 3 327.348 2.781 20 5 EFBDHM Cc1cccc2c1CC[C@@H]2Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737407734 598244692 /nfs/dbraw/zinc/24/46/92/598244692.db2.gz DULMCQJNQQHGGH-AWEZNQCLSA-N -1 3 337.343 2.578 20 5 EFBDHM Cc1cccc2c1CC[C@@H]2Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737407734 598244693 /nfs/dbraw/zinc/24/46/93/598244693.db2.gz DULMCQJNQQHGGH-AWEZNQCLSA-N -1 3 337.343 2.578 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCCc2ccccc2C1 ZINC000738358064 598389937 /nfs/dbraw/zinc/38/99/37/598389937.db2.gz KNTYKNTYAQHLQY-UHFFFAOYSA-N -1 3 336.355 2.728 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCCc2ccccc2C1 ZINC000738358064 598389939 /nfs/dbraw/zinc/38/99/39/598389939.db2.gz KNTYKNTYAQHLQY-UHFFFAOYSA-N -1 3 336.355 2.728 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCCc2sccc2C1 ZINC000738360441 598427998 /nfs/dbraw/zinc/42/79/98/598427998.db2.gz WVNBJOFGABYKCB-UHFFFAOYSA-N -1 3 342.384 2.789 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCCc2sccc2C1 ZINC000738360441 598428000 /nfs/dbraw/zinc/42/80/00/598428000.db2.gz WVNBJOFGABYKCB-UHFFFAOYSA-N -1 3 342.384 2.789 20 5 EFBDHM C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736157728 598490928 /nfs/dbraw/zinc/49/09/28/598490928.db2.gz LKHBNFAGUUVEKS-SNVBAGLBSA-N -1 3 339.311 2.693 20 5 EFBDHM C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736157728 598490929 /nfs/dbraw/zinc/49/09/29/598490929.db2.gz LKHBNFAGUUVEKS-SNVBAGLBSA-N -1 3 339.311 2.693 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737052694 598646193 /nfs/dbraw/zinc/64/61/93/598646193.db2.gz VSDIZVZJYOMRSP-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737052694 598646195 /nfs/dbraw/zinc/64/61/95/598646195.db2.gz VSDIZVZJYOMRSP-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM CC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccncc1 ZINC000820925097 599573667 /nfs/dbraw/zinc/57/36/67/599573667.db2.gz DEUNTLDOMALJOU-CYBMUJFWSA-N -1 3 325.332 2.733 20 5 EFBDHM CC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccncc1 ZINC000820925097 599573668 /nfs/dbraw/zinc/57/36/68/599573668.db2.gz DEUNTLDOMALJOU-CYBMUJFWSA-N -1 3 325.332 2.733 20 5 EFBDHM Cc1ccoc1C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826315182 607522915 /nfs/dbraw/zinc/52/29/15/607522915.db2.gz ASYQDGLEUCKMLB-UHFFFAOYSA-N -1 3 348.706 2.582 20 5 EFBDHM Cc1ccoc1C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826315182 607522917 /nfs/dbraw/zinc/52/29/17/607522917.db2.gz ASYQDGLEUCKMLB-UHFFFAOYSA-N -1 3 348.706 2.582 20 5 EFBDHM CC(C)OC[C@@H](C(=O)[O-])N(C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000827022389 604797680 /nfs/dbraw/zinc/79/76/80/604797680.db2.gz UWLBCCPJTUNWHP-ZDUSSCGKSA-N -1 3 330.768 2.558 20 5 EFBDHM CC(C)(C)[C@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)[O-] ZINC000833423382 604921541 /nfs/dbraw/zinc/92/15/41/604921541.db2.gz AGAWWIUPZWEJDS-CYBMUJFWSA-N -1 3 333.344 2.839 20 5 EFBDHM C[C@@]1(NCc2nc3cc([N+](=O)[O-])ccc3o2)CCCC[C@H]1C(=O)[O-] ZINC000833569840 605067319 /nfs/dbraw/zinc/06/73/19/605067319.db2.gz PNGNORFYOKAAJA-MEDUHNTESA-N -1 3 333.344 2.859 20 5 EFBDHM CCSCC[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821454946 606039837 /nfs/dbraw/zinc/03/98/37/606039837.db2.gz HVJFEQJYYRXFPS-SNVBAGLBSA-N -1 3 336.421 2.743 20 5 EFBDHM CCSCC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821454946 606039841 /nfs/dbraw/zinc/03/98/41/606039841.db2.gz HVJFEQJYYRXFPS-SNVBAGLBSA-N -1 3 336.421 2.743 20 5 EFBDHM CCS[C@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821455632 606401056 /nfs/dbraw/zinc/40/10/56/606401056.db2.gz KVMFVFKBYIXMGN-KOLCDFICSA-N -1 3 349.420 2.646 20 5 EFBDHM CCS[C@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821455632 606401057 /nfs/dbraw/zinc/40/10/57/606401057.db2.gz KVMFVFKBYIXMGN-KOLCDFICSA-N -1 3 349.420 2.646 20 5 EFBDHM C[C@H]1CCCCN1c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820705941 606440200 /nfs/dbraw/zinc/44/02/00/606440200.db2.gz WZJAPIZTBQNZSM-JTQLQIEISA-N -1 3 339.359 2.702 20 5 EFBDHM C[C@H]1CCCCN1c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820705941 606440201 /nfs/dbraw/zinc/44/02/01/606440201.db2.gz WZJAPIZTBQNZSM-JTQLQIEISA-N -1 3 339.359 2.702 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CCS[C@H]3CCCC[C@H]32)c(-c2nnn[n-]2)c1 ZINC000823639918 606594075 /nfs/dbraw/zinc/59/40/75/606594075.db2.gz LXFLJASRCFWMLM-KGLIPLIRSA-N -1 3 346.416 2.639 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CCS[C@H]3CCCC[C@H]32)c(-c2nn[n-]n2)c1 ZINC000823639918 606594076 /nfs/dbraw/zinc/59/40/76/606594076.db2.gz LXFLJASRCFWMLM-KGLIPLIRSA-N -1 3 346.416 2.639 20 5 EFBDHM O=[N+]([O-])c1ccc2nc(NCCC3CCC3)cc(-c3nnn[n-]3)c2c1 ZINC000823644267 606728912 /nfs/dbraw/zinc/72/89/12/606728912.db2.gz IMCQLMNLSSVEDV-UHFFFAOYSA-N -1 3 339.359 2.925 20 5 EFBDHM O=[N+]([O-])c1ccc2nc(NCCC3CCC3)cc(-c3nn[n-]n3)c2c1 ZINC000823644267 606728913 /nfs/dbraw/zinc/72/89/13/606728913.db2.gz IMCQLMNLSSVEDV-UHFFFAOYSA-N -1 3 339.359 2.925 20 5 EFBDHM Cc1cc(OCc2ccc(F)c(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000822211900 607006720 /nfs/dbraw/zinc/00/67/20/607006720.db2.gz SKSCORYGUHQHHU-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1cc(OCc2ccc(F)c(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000822211900 607006721 /nfs/dbraw/zinc/00/67/21/607006721.db2.gz SKSCORYGUHQHHU-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM CN(Cc1ccccc1[N+](=O)[O-])Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000821607606 607058869 /nfs/dbraw/zinc/05/88/69/607058869.db2.gz WJBMHJRBALUCNW-UHFFFAOYSA-N -1 3 342.334 2.546 20 5 EFBDHM CCN(C(=O)c1ccc([N+](=O)[O-])s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385862 607796955 /nfs/dbraw/zinc/79/69/55/607796955.db2.gz UOKVTUZRBPTUAV-UHFFFAOYSA-N -1 3 344.356 2.503 20 5 EFBDHM CCN(C(=O)c1ccc([N+](=O)[O-])s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385862 607796956 /nfs/dbraw/zinc/79/69/56/607796956.db2.gz UOKVTUZRBPTUAV-UHFFFAOYSA-N -1 3 344.356 2.503 20 5 EFBDHM CC(=O)c1cc([N+](=O)[O-])ccc1OCc1ccc(-c2nnn[n-]2)cc1 ZINC000824011200 607972994 /nfs/dbraw/zinc/97/29/94/607972994.db2.gz YQGVIKXVWHSNFL-UHFFFAOYSA-N -1 3 339.311 2.557 20 5 EFBDHM CC(=O)c1cc([N+](=O)[O-])ccc1OCc1ccc(-c2nn[n-]n2)cc1 ZINC000824011200 607972995 /nfs/dbraw/zinc/97/29/95/607972995.db2.gz YQGVIKXVWHSNFL-UHFFFAOYSA-N -1 3 339.311 2.557 20 5 EFBDHM C[C@@H](NCc1c(F)cccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000824605871 608466679 /nfs/dbraw/zinc/46/66/79/608466679.db2.gz MROIJNCMNHKXAI-SNVBAGLBSA-N -1 3 342.334 2.765 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CC=C(c3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000826498251 608585031 /nfs/dbraw/zinc/58/50/31/608585031.db2.gz MZYOMQJNWONNMX-UHFFFAOYSA-N -1 3 334.339 2.679 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CC=C(c3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000826498251 608585033 /nfs/dbraw/zinc/58/50/33/608585033.db2.gz MZYOMQJNWONNMX-UHFFFAOYSA-N -1 3 334.339 2.679 20 5 EFBDHM CC1(CC(=O)NC/C=C/CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC1 ZINC001107148683 1255077852 /nfs/dbraw/zinc/07/78/52/1255077852.db2.gz OSZCLVSNDZXJPD-SNAWJCMRSA-N -1 3 348.403 2.750 20 5 EFBDHM CC(C)CC1(C(=O)NC/C=C/CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001107367942 1255697544 /nfs/dbraw/zinc/69/75/44/1255697544.db2.gz VSCUXDDHPLQIMG-ONEGZZNKSA-N -1 3 348.403 2.606 20 5 EFBDHM COc1cc(CN[C@@H]2CCCc3cccnc32)c([N+](=O)[O-])cc1[O-] ZINC000922882325 1267078540 /nfs/dbraw/zinc/07/85/40/1267078540.db2.gz NOGLNDJGSSFXQG-CYBMUJFWSA-N -1 3 329.356 2.871 20 5 EFBDHM CCC(C)(C)CC(=O)N(C)CCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001109531743 1274394699 /nfs/dbraw/zinc/39/46/99/1274394699.db2.gz UPCLZCFIMRBMDF-UHFFFAOYSA-N -1 3 338.408 2.782 20 5 EFBDHM CC(C)=CC(=O)N(C)CC(C)(C)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001113396379 1277751215 /nfs/dbraw/zinc/75/12/15/1277751215.db2.gz WNJWWJYJCGOFQI-UHFFFAOYSA-N -1 3 336.392 2.558 20 5 EFBDHM C/C=C(/C)C(=O)NC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCCC1 ZINC001114156422 1279829386 /nfs/dbraw/zinc/82/93/86/1279829386.db2.gz TZHCGFZUNGQIHX-BASWHVEKSA-N -1 3 348.403 2.893 20 5 EFBDHM CCCC1(C(=O)NC[C@H]2C[C@@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)CC1 ZINC001091398648 1280492965 /nfs/dbraw/zinc/49/29/65/1280492965.db2.gz GXXRUJDXELRZOI-TXEJJXNPSA-N -1 3 348.403 2.582 20 5 EFBDHM CCC(CC)(CC)C(=O)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094544795 1285290064 /nfs/dbraw/zinc/29/00/64/1285290064.db2.gz ZGEBIGZBFNJZNG-UHFFFAOYSA-N -1 3 338.408 2.830 20 5 EFBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Br)[N-]OC1CCC1 ZINC000812794071 1285439423 /nfs/dbraw/zinc/43/94/23/1285439423.db2.gz PCNGRDMJZPDKOO-UHFFFAOYSA-N -1 3 329.150 2.500 20 5 EFBDHM O=C(/C=C/C1CC1)NCCCCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094940291 1286235656 /nfs/dbraw/zinc/23/56/56/1286235656.db2.gz QOFCQVOPXPQEBR-BQYQJAHWSA-N -1 3 348.403 2.750 20 5 EFBDHM CC1(C(=O)NCCCCCCNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001095002424 1286390486 /nfs/dbraw/zinc/39/04/86/1286390486.db2.gz OXUZMMOKWIPFJG-UHFFFAOYSA-N -1 3 336.392 2.584 20 5 EFBDHM CC(C)CCC(=O)N1CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001095214254 1286680535 /nfs/dbraw/zinc/68/05/35/1286680535.db2.gz ONTMLNNXFHDBRY-UHFFFAOYSA-N -1 3 336.392 2.535 20 5 EFBDHM O=C1CCc2c1cccc2-c1noc(-c2cc([N+](=O)[O-])c[n-]c2=O)n1 ZINC001212935938 1290902378 /nfs/dbraw/zinc/90/23/78/1290902378.db2.gz VPTIRYWXFIYDIQ-UHFFFAOYSA-N -1 3 338.279 2.541 20 5 EFBDHM Cc1cc(F)c(F)c(-c2noc(-c3cc([N+](=O)[O-])c[n-]c3=O)n2)c1 ZINC001212937285 1290905151 /nfs/dbraw/zinc/90/51/51/1290905151.db2.gz WUNQCDUUUYPJQY-UHFFFAOYSA-N -1 3 334.238 2.999 20 5 EFBDHM CC(C)=C(C)CC(=O)N[C@H]1C[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001114811878 1292344508 /nfs/dbraw/zinc/34/45/08/1292344508.db2.gz UKRUZMVJROKKEF-JOCQHMNTSA-N -1 3 348.403 2.749 20 5 EFBDHM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1F ZINC000132261088 1293643189 /nfs/dbraw/zinc/64/31/89/1293643189.db2.gz BXAJPEZIKADKKK-UHFFFAOYSA-N -1 3 328.296 2.982 20 5 EFBDHM COc1cccc(S(=O)(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)c1 ZINC000800051721 1293896736 /nfs/dbraw/zinc/89/67/36/1293896736.db2.gz RDJFKUSXRDWSIF-UHFFFAOYSA-N -1 3 340.332 2.852 20 5 EFBDHM Cc1cccc(-n2cc(C(=O)[N-]c3cc([N+](=O)[O-])ccc3F)nn2)c1 ZINC000133642003 1293969995 /nfs/dbraw/zinc/96/99/95/1293969995.db2.gz KMKJSOYGLIYNBE-UHFFFAOYSA-N -1 3 341.302 2.875 20 5 EFBDHM CC(=O)c1ccc(F)c(-c2noc(-c3c[n-]c(=O)c([N+](=O)[O-])c3)n2)c1 ZINC001212844321 1295539359 /nfs/dbraw/zinc/53/93/59/1295539359.db2.gz OAWGKNUPZMXTLH-UHFFFAOYSA-N -1 3 344.258 2.754 20 5 EFBDHM CC(C)Oc1ccc(-c2noc(-c3c[n-]c(=O)c([N+](=O)[O-])c3)n2)cn1 ZINC001212844442 1295539754 /nfs/dbraw/zinc/53/97/54/1295539754.db2.gz UIVAVJGADJVPIL-UHFFFAOYSA-N -1 3 343.299 2.595 20 5 EFBDHM COc1ccc(-c2noc(-c3c[n-]c(=O)c([N+](=O)[O-])c3)n2)c(C)c1 ZINC001212844384 1295543423 /nfs/dbraw/zinc/54/34/23/1295543423.db2.gz QQROEXYVAAGNBE-UHFFFAOYSA-N -1 3 328.284 2.729 20 5 EFBDHM Cc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)n(CC2CCOCC2)n1 ZINC001199828591 1295788082 /nfs/dbraw/zinc/78/80/82/1295788082.db2.gz NVHOMQCSQROKQA-UHFFFAOYSA-N -1 3 332.360 2.976 20 5 EFBDHM O=[N+]([O-])c1cc([O-])cc(Nc2nccnc2-c2ccnc(Cl)n2)c1 ZINC001199828238 1295788231 /nfs/dbraw/zinc/78/82/31/1295788231.db2.gz DBBGXDBJRNDUJU-UHFFFAOYSA-N -1 3 344.718 2.944 20 5 EFBDHM C[C@H](C[N+](C)(C)C)Oc1cc([O-])cc2oc3c([O-])cccc3c(=O)c12 ZINC001234741457 1313187784 /nfs/dbraw/zinc/18/77/84/1313187784.db2.gz IKORLEDGHOJZFO-LLVKDONJSA-O -1 3 344.387 2.831 20 5 EFBDHM CN1CCN(c2c(F)cccc2Nc2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC001201229346 1296637077 /nfs/dbraw/zinc/63/70/77/1296637077.db2.gz MAUWGPMEHYPWQQ-UHFFFAOYSA-N -1 3 346.362 2.935 20 5 EFBDHM CCCCCCC(=O)NCCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001095554997 1296699117 /nfs/dbraw/zinc/69/91/17/1296699117.db2.gz MJDUZUDIIZKFLF-UHFFFAOYSA-N -1 3 338.408 2.608 20 5 EFBDHM Cc1cnccc1-c1noc(-c2[n-]nc(C(F)(F)F)c2[N+](=O)[O-])n1 ZINC001212973145 1297332030 /nfs/dbraw/zinc/33/20/30/1297332030.db2.gz SHROGLNPLBXCLW-UHFFFAOYSA-N -1 3 340.221 2.757 20 5 EFBDHM O=C(c1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1)N1CCCC1 ZINC000853130548 1300018811 /nfs/dbraw/zinc/01/88/11/1300018811.db2.gz BMGZCJZXRFDARF-UHFFFAOYSA-N -1 3 342.355 2.544 20 5 EFBDHM CC(C)(C)OC(=O)N(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1 ZINC000853258976 1300072378 /nfs/dbraw/zinc/07/23/78/1300072378.db2.gz KOTOQAPGADLGPL-UHFFFAOYSA-N -1 3 338.364 2.507 20 5 EFBDHM CCc1ccc(N2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)cc1 ZINC000853393586 1300104193 /nfs/dbraw/zinc/10/41/93/1300104193.db2.gz MEJQZKHBQHUKRB-UHFFFAOYSA-N -1 3 328.372 2.584 20 5 EFBDHM CC(C)(C)OC(=O)NC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCC1 ZINC000853476406 1300128911 /nfs/dbraw/zinc/12/89/11/1300128911.db2.gz PGQNNCYZEYNUHU-UHFFFAOYSA-N -1 3 338.364 2.555 20 5 EFBDHM C[C@@H](CCCNC(=O)OC(C)(C)C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000853650105 1300213914 /nfs/dbraw/zinc/21/39/14/1300213914.db2.gz AXQAKXMMKPUWJZ-JTQLQIEISA-N -1 3 340.380 2.801 20 5 EFBDHM O=C(Nc1ccc2c(c1)[C@@H](O)CCCC2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000855550540 1301011880 /nfs/dbraw/zinc/01/18/80/1301011880.db2.gz OFVLRLPDUQWSAN-HNNXBMFYSA-N -1 3 343.339 2.708 20 5 EFBDHM CC(C)CC1(C(=O)N[C@H]2C[C@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)CC1 ZINC001097074141 1313835364 /nfs/dbraw/zinc/83/53/64/1313835364.db2.gz PBVZTSNNDMSJSZ-HAQNSBGRSA-N -1 3 348.403 2.581 20 5 EFBDHM O=C(CCC1CCCC1)N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001097144494 1313887305 /nfs/dbraw/zinc/88/73/05/1313887305.db2.gz HTPPXUQLIXQYJG-BETUJISGSA-N -1 3 348.403 2.725 20 5 EFBDHM CCCCC1(C(=O)N[C@H]2C[C@@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)CC1 ZINC001097248947 1313937250 /nfs/dbraw/zinc/93/72/50/1313937250.db2.gz RXVGQYQDEKOCSO-TXEJJXNPSA-N -1 3 348.403 2.725 20 5 EFBDHM COCc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cc1 ZINC000800928635 1308688679 /nfs/dbraw/zinc/68/86/79/1308688679.db2.gz QGGDZGNFYKLQHX-UHFFFAOYSA-N -1 3 340.332 2.681 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC000800930790 1308693443 /nfs/dbraw/zinc/69/34/43/1308693443.db2.gz RVALLPAAMYPHFC-UHFFFAOYSA-N -1 3 327.749 2.752 20 5 EFBDHM CC(C)N(CCCNC(=O)C1=CCCC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001102095758 1311281103 /nfs/dbraw/zinc/28/11/03/1311281103.db2.gz GWAOYFPLSFZEQI-UHFFFAOYSA-N -1 3 348.403 2.527 20 5 EFBDHM CC/C(C)=C\C(=O)NC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC1 ZINC001103426431 1311358223 /nfs/dbraw/zinc/35/82/23/1311358223.db2.gz VZDDLNRISRULLE-BENRWUELSA-N -1 3 348.403 2.893 20 5 EFBDHM CCCCOC[C@@H](C)OC[C@@H](C)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225664105 1311561893 /nfs/dbraw/zinc/56/18/93/1311561893.db2.gz JQFHQTZWKUQNQD-VXGBXAGGSA-N -1 3 328.365 2.685 20 5 EFBDHM O=c1ccc2ccc([O-])c(O[C@H]3Cc4ccc([N+](=O)[O-])cc4C3)c2o1 ZINC001226597018 1311694762 /nfs/dbraw/zinc/69/47/62/1311694762.db2.gz QANVIFDSGGHQHH-AWEZNQCLSA-N -1 3 339.303 2.953 20 5 EFBDHM Cc1cc(O[C@H]2CCN(c3ccccc3[N+](=O)[O-])C2)[n-]c(=S)n1 ZINC001226798757 1311724847 /nfs/dbraw/zinc/72/48/47/1311724847.db2.gz KDYXCWJNNGDLGG-NSHDSACASA-N -1 3 332.385 2.640 20 5 EFBDHM CCc1cnc(=S)[n-]c1O[C@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC001227061539 1311757168 /nfs/dbraw/zinc/75/71/68/1311757168.db2.gz KBKFGWWKELBVKA-LBPRGKRZSA-N -1 3 346.412 2.894 20 5 EFBDHM CCCc1cc(O[C@H](C)Cn2c(C)ncc2[N+](=O)[O-])[n-]c(=S)n1 ZINC001227423410 1311805182 /nfs/dbraw/zinc/80/51/82/1311805182.db2.gz YSAOQGFCGTZVQL-SECBINFHSA-N -1 3 337.405 2.598 20 5 EFBDHM O=[N+]([O-])c1cnc(O[C@H]2CCCN(c3ccccc3)C2)c2[n-]cnc21 ZINC001227692311 1311840669 /nfs/dbraw/zinc/84/06/69/1311840669.db2.gz WGSZFSYRZQYNGS-ZDUSSCGKSA-N -1 3 339.355 2.914 20 5 EFBDHM C[C@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)C(=O)OCc1ccccc1 ZINC001227742595 1311848458 /nfs/dbraw/zinc/84/84/58/1311848458.db2.gz BFOVCAAFXRHKKK-NSHDSACASA-N -1 3 341.323 2.982 20 5 EFBDHM C[C@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)C(=O)OCc1ccccc1 ZINC001227742595 1311848460 /nfs/dbraw/zinc/84/84/60/1311848460.db2.gz BFOVCAAFXRHKKK-NSHDSACASA-N -1 3 341.323 2.982 20 5 EFBDHM COC(=O)[C@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)c1cccc(F)c1 ZINC001227742623 1311848582 /nfs/dbraw/zinc/84/85/82/1311848582.db2.gz BJOZDVOYRSBYHT-CQSZACIVSA-N -1 3 345.286 2.903 20 5 EFBDHM COC(=O)[C@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)c1cccc(F)c1 ZINC001227742623 1311848585 /nfs/dbraw/zinc/84/85/85/1311848585.db2.gz BJOZDVOYRSBYHT-CQSZACIVSA-N -1 3 345.286 2.903 20 5 EFBDHM CCOC(=O)C(F)(F)[C@H](CC)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227742436 1311848613 /nfs/dbraw/zinc/84/86/13/1311848613.db2.gz AAZMNQDLRFOYKP-NSHDSACASA-N -1 3 343.286 2.827 20 5 EFBDHM CCOC(=O)C(F)(F)[C@H](CC)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227742436 1311848618 /nfs/dbraw/zinc/84/86/18/1311848618.db2.gz AAZMNQDLRFOYKP-NSHDSACASA-N -1 3 343.286 2.827 20 5 EFBDHM CC(C)OC(=O)N1CCC(Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)CC1 ZINC001227746536 1311849783 /nfs/dbraw/zinc/84/97/83/1311849783.db2.gz SXSCBTZRIRGOQG-UHFFFAOYSA-N -1 3 348.359 2.859 20 5 EFBDHM CC(C)OC(=O)N1CCC(Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)CC1 ZINC001227746536 1311849786 /nfs/dbraw/zinc/84/97/86/1311849786.db2.gz SXSCBTZRIRGOQG-UHFFFAOYSA-N -1 3 348.359 2.859 20 5 EFBDHM COc1ccc(OC[C@@H](C)Oc2cc(=O)[n-]c(C)c2[N+](=O)[O-])cc1 ZINC001228689209 1311982433 /nfs/dbraw/zinc/98/24/33/1311982433.db2.gz QAFSJLBJCBVCBD-SNVBAGLBSA-N -1 3 334.328 2.859 20 5 EFBDHM Cc1ncc(Nc2cc3ccc(Cl)nc3cc2[N+](=O)[O-])c(=O)[n-]1 ZINC001162306295 1312085358 /nfs/dbraw/zinc/08/53/58/1312085358.db2.gz WBGWUMIIEPUGIW-NSHDSACASA-N -1 3 331.719 2.606 20 5 EFBDHM Cc1cncc(-c2noc(C(=O)[N-]c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC001248000886 1314880057 /nfs/dbraw/zinc/88/00/57/1314880057.db2.gz VIQDVSAAJOJIDO-UHFFFAOYSA-N -1 3 325.284 2.601 20 5 EFBDHM COc1ccc(Nc2cccc(C(=O)N(C)C)c2[O-])c([N+](=O)[O-])c1 ZINC001248483089 1314938758 /nfs/dbraw/zinc/93/87/58/1314938758.db2.gz DCXHVTBEZWUFSD-UHFFFAOYSA-N -1 3 331.328 2.754 20 5 EFBDHM CCOc1ccc(-c2nnc(-c3c[n-]c(=O)c([N+](=O)[O-])c3)o2)cc1 ZINC001252103855 1315413930 /nfs/dbraw/zinc/41/39/30/1315413930.db2.gz MTKVWGXYFSBQPD-UHFFFAOYSA-N -1 3 328.284 2.811 20 5 EFBDHM O=C(N[C@H]1C[C@H](CNc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1[O-] ZINC001068441039 1316111903 /nfs/dbraw/zinc/11/19/03/1316111903.db2.gz WGXLSVIKXFADLF-MQMHXKEQSA-N -1 3 341.367 2.921 20 5 EFBDHM O=C(c1cnc2ccccc2c1[O-])N1CCc2cc([N+](=O)[O-])ccc21 ZINC001322639220 1329475212 /nfs/dbraw/zinc/47/52/12/1329475212.db2.gz ULLWSHKGEBGTEJ-UHFFFAOYSA-N -1 3 335.319 2.639 20 5 EFBDHM COc1cc(C[NH2+][C@H](C)CCC[C@@H](C)C(=O)[O-])c([N+](=O)[O-])cc1[O-] ZINC001324576920 1329641683 /nfs/dbraw/zinc/64/16/83/1329641683.db2.gz YIOHNBOQJKYKFU-GHMZBOCLSA-N -1 3 340.376 2.678 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]C2(C(F)(F)F)CC2)c1 ZINC001332365981 1330963836 /nfs/dbraw/zinc/96/38/36/1330963836.db2.gz SNDZVULDKYLHHC-UHFFFAOYSA-N -1 3 338.307 2.585 20 5 EFBDHM O=c1[n-]cnc2c1CN(c1cccc(C(F)(F)F)c1[N+](=O)[O-])CC2 ZINC001353263116 1334054038 /nfs/dbraw/zinc/05/40/38/1334054038.db2.gz OIDCZLQGTRPFPH-UHFFFAOYSA-N -1 3 340.261 2.672 20 5 EFBDHM C[C@H](N/C=C1\C(=O)[N-]C(=O)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000255668751 717377728 /nfs/dbraw/zinc/37/77/28/717377728.db2.gz RRSBDLVZFDSBMI-OKHBPPCESA-N -1 3 337.335 2.557 20 5 EFBDHM Cc1ccc(N[C@H]2C[C@@H](NC(=O)c3ccccc3[O-])C2)c([N+](=O)[O-])c1 ZINC001059554052 724495687 /nfs/dbraw/zinc/49/56/87/724495687.db2.gz KBBCVPSEIUTJRD-BETUJISGSA-N -1 3 341.367 2.982 20 5 EFBDHM O=C(CC1CCCCC1)N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001059146019 722618842 /nfs/dbraw/zinc/61/88/42/722618842.db2.gz DPRHPVLGFHPLAG-JOCQHMNTSA-N -1 3 348.403 2.725 20 5 EFBDHM CCOc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cc1 ZINC000014256442 723857159 /nfs/dbraw/zinc/85/71/59/723857159.db2.gz QRPQHACWACUGHK-UHFFFAOYSA-N -1 3 340.332 2.933 20 5 EFBDHM O=C(CCOc1ccccc1)[N-]OCc1c(F)cccc1[N+](=O)[O-] ZINC000109743823 725771490 /nfs/dbraw/zinc/77/14/90/725771490.db2.gz QZLUOCSVXWMENN-UHFFFAOYSA-N -1 3 334.303 2.751 20 5 EFBDHM O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1cc(Cl)ccc1[O-] ZINC000731456708 726869405 /nfs/dbraw/zinc/86/94/05/726869405.db2.gz CYFYBXAMWHRJRN-UHFFFAOYSA-N -1 3 346.730 2.942 20 5 EFBDHM CSC(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000173235736 728619694 /nfs/dbraw/zinc/61/96/94/728619694.db2.gz AACSEFIDDXCOON-UHFFFAOYSA-N -1 3 338.838 2.668 20 5 EFBDHM Cc1nc(Sc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)sc1C ZINC000822458986 946094963 /nfs/dbraw/zinc/09/49/63/946094963.db2.gz LXFZUCBQDGDLFI-UHFFFAOYSA-N -1 3 334.386 2.999 20 5 EFBDHM Cc1nc(Sc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)sc1C ZINC000822458986 946094977 /nfs/dbraw/zinc/09/49/77/946094977.db2.gz LXFZUCBQDGDLFI-UHFFFAOYSA-N -1 3 334.386 2.999 20 5 EFBDHM CC(C)CCn1ccc(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC000824248676 946633333 /nfs/dbraw/zinc/63/33/33/946633333.db2.gz ADUIQHXOCIYHPB-UHFFFAOYSA-N -1 3 342.363 2.761 20 5 EFBDHM Cc1ccncc1[C@@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826315366 947921997 /nfs/dbraw/zinc/92/19/97/947921997.db2.gz HKZMSHQOWNNULE-SNVBAGLBSA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1ccncc1[C@@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826315366 947922001 /nfs/dbraw/zinc/92/20/01/947922001.db2.gz HKZMSHQOWNNULE-SNVBAGLBSA-N -1 3 325.332 2.651 20 5 EFBDHM CC(C)CC(C)(C)CNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001574131252 949651928 /nfs/dbraw/zinc/65/19/28/949651928.db2.gz CEOYMELLTALIES-UHFFFAOYSA-N -1 3 333.396 2.841 20 5 EFBDHM CC(C)CC(C)(C)CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001574131252 949651940 /nfs/dbraw/zinc/65/19/40/949651940.db2.gz CEOYMELLTALIES-UHFFFAOYSA-N -1 3 333.396 2.841 20 5 EFBDHM CC1(C)C[C@@H](CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C(C)(C)O1 ZINC001575638563 950837380 /nfs/dbraw/zinc/83/73/80/950837380.db2.gz HTEKVJWFYRZETQ-JTQLQIEISA-N -1 3 346.391 2.781 20 5 EFBDHM CC1(C)C[C@@H](CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C(C)(C)O1 ZINC001575638563 950837411 /nfs/dbraw/zinc/83/74/11/950837411.db2.gz HTEKVJWFYRZETQ-JTQLQIEISA-N -1 3 346.391 2.781 20 5 EFBDHM O=C([O-])[C@@H]1CCC[C@@H]1NCc1c(Br)cccc1[N+](=O)[O-] ZINC001595171605 952223099 /nfs/dbraw/zinc/22/30/99/952223099.db2.gz HGEJXJAQFWXOJC-KCJUWKMLSA-N -1 3 343.177 2.700 20 5 EFBDHM COc1ccc(CN[C@@H](C(=O)[O-])c2cccc(C)c2)cc1[N+](=O)[O-] ZINC001594094632 958391175 /nfs/dbraw/zinc/39/11/75/958391175.db2.gz QYQZYIRXQUXCFF-MRXNPFEDSA-N -1 3 330.340 2.827 20 5 EFBDHM COc1ccc(CN(CC(=O)[O-])Cc2ccccc2)cc1[N+](=O)[O-] ZINC000692422566 976462097 /nfs/dbraw/zinc/46/20/97/976462097.db2.gz ZTAHNPIQUHQPCK-UHFFFAOYSA-N -1 3 330.340 2.690 20 5 EFBDHM CC[C@@H](C)N[C@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])c1ccco1 ZINC001594994381 982873890 /nfs/dbraw/zinc/87/38/90/982873890.db2.gz LTOLCCCVSMPSCU-ZYHUDNBSSA-N -1 3 348.359 2.822 20 5 EFBDHM CCO[C@H]1C[C@@H](NCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C12CCC2 ZINC001596836617 985484832 /nfs/dbraw/zinc/48/48/32/985484832.db2.gz DVOVQBACRHCTRR-CABCVRRESA-N -1 3 334.372 2.730 20 5 EFBDHM CC([C@@H](OC(=O)c1ccc(C(=O)[O-])o1)c1ccccc1F)[N+](=O)[O-] ZINC001589552358 987286257 /nfs/dbraw/zinc/28/62/57/987286257.db2.gz FIPYCTAIXFDWAG-ISVAXAHUSA-N -1 3 337.259 2.680 20 5 EFBDHM C[C@](NCc1ccc2c(c1)COC2)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593303307 994733078 /nfs/dbraw/zinc/73/30/78/994733078.db2.gz AXYXKOKJKPOHDO-GOSISDBHSA-N -1 3 342.351 2.715 20 5 EFBDHM C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001593738545 996348890 /nfs/dbraw/zinc/34/88/90/996348890.db2.gz XISQKLRNDZEBAC-CWSCBRNRSA-N -1 3 346.343 2.501 20 5 EFBDHM COc1cc(CN([C@H](C)C(=O)[O-])C2CCC2)c([N+](=O)[O-])cc1F ZINC001599404885 997278933 /nfs/dbraw/zinc/27/89/33/997278933.db2.gz DVJGHSPUFRAQEV-SECBINFHSA-N -1 3 326.324 2.570 20 5 EFBDHM CN(Cc1cccc(F)c1)c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001579257813 1090563369 /nfs/dbraw/zinc/56/33/69/1090563369.db2.gz NVUMQRJDOZWZBK-UHFFFAOYSA-N -1 3 328.307 2.550 20 5 EFBDHM CN(Cc1cccc(F)c1)c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001579257813 1090563373 /nfs/dbraw/zinc/56/33/73/1090563373.db2.gz NVUMQRJDOZWZBK-UHFFFAOYSA-N -1 3 328.307 2.550 20 5 EFBDHM COc1c(C)cccc1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001579874562 1090710695 /nfs/dbraw/zinc/71/06/95/1090710695.db2.gz DEHCIHQWQDKHSK-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM COc1c(C)cccc1CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001579874562 1090710700 /nfs/dbraw/zinc/71/07/00/1090710700.db2.gz DEHCIHQWQDKHSK-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM Cc1cc(CSc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])no1 ZINC001580929689 1091044926 /nfs/dbraw/zinc/04/49/26/1091044926.db2.gz RBAWQWZEBASREG-UHFFFAOYSA-N -1 3 336.308 2.503 20 5 EFBDHM Cc1cc(NC[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001581021714 1091061857 /nfs/dbraw/zinc/06/18/57/1091061857.db2.gz RLEJRDSCNYWDJL-IXLVHKGHSA-N -1 3 328.376 2.787 20 5 EFBDHM Cc1cc(NC[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001581021714 1091061863 /nfs/dbraw/zinc/06/18/63/1091061863.db2.gz RLEJRDSCNYWDJL-IXLVHKGHSA-N -1 3 328.376 2.787 20 5 EFBDHM Cc1ccc(Cl)c(Oc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001581201545 1091092356 /nfs/dbraw/zinc/09/23/56/1091092356.db2.gz JGIRFICOEMXLDO-UHFFFAOYSA-N -1 3 332.707 2.924 20 5 EFBDHM Cc1ccc(Cl)c(Oc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001581201545 1091092362 /nfs/dbraw/zinc/09/23/62/1091092362.db2.gz JGIRFICOEMXLDO-UHFFFAOYSA-N -1 3 332.707 2.924 20 5 EFBDHM O=[N+]([O-])c1ncccc1Sc1cccc(-c2nnn[n-]2)c1Cl ZINC001582804895 1091659351 /nfs/dbraw/zinc/65/93/51/1091659351.db2.gz QOHZBBFHMSIWNV-UHFFFAOYSA-N -1 3 334.748 2.975 20 5 EFBDHM O=[N+]([O-])c1ncccc1Sc1cccc(-c2nn[n-]n2)c1Cl ZINC001582804895 1091659357 /nfs/dbraw/zinc/65/93/57/1091659357.db2.gz QOHZBBFHMSIWNV-UHFFFAOYSA-N -1 3 334.748 2.975 20 5 EFBDHM O=[N+]([O-])c1ccc(OCCc2ccc(-c3nnn[n-]3)cc2)c(F)c1F ZINC001582804054 1091668184 /nfs/dbraw/zinc/66/81/84/1091668184.db2.gz HGXIZAWQVUMOJQ-UHFFFAOYSA-N -1 3 347.281 2.675 20 5 EFBDHM O=[N+]([O-])c1ccc(OCCc2ccc(-c3nn[n-]n3)cc2)c(F)c1F ZINC001582804054 1091668191 /nfs/dbraw/zinc/66/81/91/1091668191.db2.gz HGXIZAWQVUMOJQ-UHFFFAOYSA-N -1 3 347.281 2.675 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCc1cccc2ncccc12 ZINC001582804715 1091670166 /nfs/dbraw/zinc/67/01/66/1091670166.db2.gz ZSJWASIWLLGJBQ-UHFFFAOYSA-N -1 3 347.338 2.935 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCc1cccc2ncccc12 ZINC001582804715 1091670169 /nfs/dbraw/zinc/67/01/69/1091670169.db2.gz ZSJWASIWLLGJBQ-UHFFFAOYSA-N -1 3 347.338 2.935 20 5 EFBDHM CC(C)(C)[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CCO1 ZINC001589099595 1093030650 /nfs/dbraw/zinc/03/06/50/1093030650.db2.gz PGVDTQDMRMYIGT-RISCZKNCSA-N -1 3 346.391 2.781 20 5 EFBDHM CC(C)(CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)CC(F)F ZINC001589292400 1093067155 /nfs/dbraw/zinc/06/71/55/1093067155.db2.gz AZBPTAIKOFHDCX-UHFFFAOYSA-N -1 3 326.307 2.868 20 5 EFBDHM CC(C)(CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)CC(F)F ZINC001589292400 1093067164 /nfs/dbraw/zinc/06/71/64/1093067164.db2.gz AZBPTAIKOFHDCX-UHFFFAOYSA-N -1 3 326.307 2.868 20 5 EFBDHM CC(C)(CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)C1CCOCC1 ZINC001589292693 1093068088 /nfs/dbraw/zinc/06/80/88/1093068088.db2.gz HTYNTZMBNRSCLP-UHFFFAOYSA-N -1 3 346.391 2.640 20 5 EFBDHM CC(C)[C@H](C)N(C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001589437739 1093084366 /nfs/dbraw/zinc/08/43/66/1093084366.db2.gz YNXHKMPDCQSEDE-JTQLQIEISA-N -1 3 341.375 2.804 20 5 EFBDHM CC(C)[C@H](C)N(C)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001589437739 1093084376 /nfs/dbraw/zinc/08/43/76/1093084376.db2.gz YNXHKMPDCQSEDE-JTQLQIEISA-N -1 3 341.375 2.804 20 5 EFBDHM CC(C)C[C@H]1OCCC[C@H]1Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001589573353 1093109244 /nfs/dbraw/zinc/10/92/44/1093109244.db2.gz JSJPEVZMGLHYLO-UKRRQHHQSA-N -1 3 346.391 2.781 20 5 EFBDHM CC(C)C[C@@H]1OCCC[C@@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589574578 1093109790 /nfs/dbraw/zinc/10/97/90/1093109790.db2.gz ZCFCHOBMCSHYPZ-ZFWWWQNUSA-N -1 3 346.391 2.781 20 5 EFBDHM CC(C)C[C@@H]1OCCC[C@@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589574578 1093109798 /nfs/dbraw/zinc/10/97/98/1093109798.db2.gz ZCFCHOBMCSHYPZ-ZFWWWQNUSA-N -1 3 346.391 2.781 20 5 EFBDHM C[C@@H](CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])Oc1ccccc1 ZINC001589876247 1093162202 /nfs/dbraw/zinc/16/22/02/1093162202.db2.gz SCHDWGNWZVWIGJ-NSHDSACASA-N -1 3 340.343 2.654 20 5 EFBDHM C[C@@H](CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])Oc1ccccc1 ZINC001589876247 1093162206 /nfs/dbraw/zinc/16/22/06/1093162206.db2.gz SCHDWGNWZVWIGJ-NSHDSACASA-N -1 3 340.343 2.654 20 5 EFBDHM C[C@H](CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccccn1 ZINC001589875748 1093162966 /nfs/dbraw/zinc/16/29/66/1093162966.db2.gz JGLQOOYODUYLJE-SECBINFHSA-N -1 3 343.322 2.525 20 5 EFBDHM C[C@H](CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccccn1 ZINC001589875748 1093162969 /nfs/dbraw/zinc/16/29/69/1093162969.db2.gz JGLQOOYODUYLJE-SECBINFHSA-N -1 3 343.322 2.525 20 5 EFBDHM C[C@H](Cc1ccccc1F)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001589899421 1093172595 /nfs/dbraw/zinc/17/25/95/1093172595.db2.gz JWTOBWQRYOCPFK-SNVBAGLBSA-N -1 3 342.334 2.957 20 5 EFBDHM C[C@H](Cc1ccccc1F)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001589899421 1093172597 /nfs/dbraw/zinc/17/25/97/1093172597.db2.gz JWTOBWQRYOCPFK-SNVBAGLBSA-N -1 3 342.334 2.957 20 5 EFBDHM C[C@@H](Cc1cccs1)N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589903246 1093174622 /nfs/dbraw/zinc/17/46/22/1093174622.db2.gz WJUURWFAFSWAIH-JTQLQIEISA-N -1 3 344.400 2.904 20 5 EFBDHM C[C@@H](Cc1cccs1)N(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589903246 1093174625 /nfs/dbraw/zinc/17/46/25/1093174625.db2.gz WJUURWFAFSWAIH-JTQLQIEISA-N -1 3 344.400 2.904 20 5 EFBDHM C[C@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)C1(C)CC1 ZINC001589978214 1093207625 /nfs/dbraw/zinc/20/76/25/1093207625.db2.gz IXHKWADBHKLGAJ-VIFPVBQESA-N -1 3 339.359 2.924 20 5 EFBDHM C[C@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)C1(C)CC1 ZINC001589978214 1093207631 /nfs/dbraw/zinc/20/76/31/1093207631.db2.gz IXHKWADBHKLGAJ-VIFPVBQESA-N -1 3 339.359 2.924 20 5 EFBDHM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001590013871 1093223255 /nfs/dbraw/zinc/22/32/55/1093223255.db2.gz TZATWESELWJLEH-SNVBAGLBSA-N -1 3 339.311 2.693 20 5 EFBDHM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001590013871 1093223261 /nfs/dbraw/zinc/22/32/61/1093223261.db2.gz TZATWESELWJLEH-SNVBAGLBSA-N -1 3 339.311 2.693 20 5 EFBDHM CC1(C)[C@@H](CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1(F)F ZINC001590076754 1093251262 /nfs/dbraw/zinc/25/12/62/1093251262.db2.gz LDOYLKXDJPJMEO-SNVBAGLBSA-N -1 3 342.281 2.617 20 5 EFBDHM CC1(C)[C@@H](CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1(F)F ZINC001590076754 1093251266 /nfs/dbraw/zinc/25/12/66/1093251266.db2.gz LDOYLKXDJPJMEO-SNVBAGLBSA-N -1 3 342.281 2.617 20 5 EFBDHM CC1(C)[C@H](CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1(F)F ZINC001590076752 1093252580 /nfs/dbraw/zinc/25/25/80/1093252580.db2.gz LDOYLKXDJPJMEO-JTQLQIEISA-N -1 3 342.281 2.617 20 5 EFBDHM CC1(C)[C@H](CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1(F)F ZINC001590076752 1093252587 /nfs/dbraw/zinc/25/25/87/1093252587.db2.gz LDOYLKXDJPJMEO-JTQLQIEISA-N -1 3 342.281 2.617 20 5 EFBDHM CC1(C)C[C@H](CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C(C)(C)O1 ZINC001590081584 1093255674 /nfs/dbraw/zinc/25/56/74/1093255674.db2.gz XFKSMLFIQJAERW-LLVKDONJSA-N -1 3 346.391 2.781 20 5 EFBDHM CC1(C)C[C@H](CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C(C)(C)O1 ZINC001590081584 1093255679 /nfs/dbraw/zinc/25/56/79/1093255679.db2.gz XFKSMLFIQJAERW-LLVKDONJSA-N -1 3 346.391 2.781 20 5 EFBDHM CC1(C)C[C@@H](Sc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])CO1 ZINC001590084329 1093258420 /nfs/dbraw/zinc/25/84/20/1093258420.db2.gz BSUQJQSSGOJMIX-SSDOTTSWSA-N -1 3 339.352 2.574 20 5 EFBDHM CC1(C)CCC[C@H](CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])O1 ZINC001590092604 1093261478 /nfs/dbraw/zinc/26/14/78/1093261478.db2.gz CETQUULYCXREEX-LLVKDONJSA-N -1 3 332.364 2.535 20 5 EFBDHM CC1(C)CCC[C@H](CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])O1 ZINC001590092604 1093261481 /nfs/dbraw/zinc/26/14/81/1093261481.db2.gz CETQUULYCXREEX-LLVKDONJSA-N -1 3 332.364 2.535 20 5 EFBDHM C[C@@]1(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1(Cl)Cl ZINC001590136789 1093283252 /nfs/dbraw/zinc/28/32/52/1093283252.db2.gz YUFGOCMBVRYGSX-NSHDSACASA-N -1 3 343.174 2.771 20 5 EFBDHM C[C@@]1(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1(Cl)Cl ZINC001590136789 1093283259 /nfs/dbraw/zinc/28/32/59/1093283259.db2.gz YUFGOCMBVRYGSX-NSHDSACASA-N -1 3 343.174 2.771 20 5 EFBDHM C[C@@]1(c2ccccc2)C[C@@H]1Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590152233 1093285100 /nfs/dbraw/zinc/28/51/00/1093285100.db2.gz STZDPXULBKMQOJ-YOEHRIQHSA-N -1 3 336.355 2.917 20 5 EFBDHM C[C@@]1(c2ccccc2)C[C@@H]1Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590152233 1093285107 /nfs/dbraw/zinc/28/51/07/1093285107.db2.gz STZDPXULBKMQOJ-YOEHRIQHSA-N -1 3 336.355 2.917 20 5 EFBDHM C[C@@H]1[C@@H](C(F)(F)F)CCN1c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590167108 1093295011 /nfs/dbraw/zinc/29/50/11/1093295011.db2.gz KSMHYIJLHSXPDV-XCBNKYQSSA-N -1 3 342.281 2.552 20 5 EFBDHM C[C@H]1CC(Nc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C[C@H](C)C1 ZINC001590186537 1093295675 /nfs/dbraw/zinc/29/56/75/1093295675.db2.gz DQUGHBLGAIVUDU-RKDXNWHRSA-N -1 3 331.380 2.594 20 5 EFBDHM C[C@H]1CC(Nc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C[C@H](C)C1 ZINC001590186537 1093295679 /nfs/dbraw/zinc/29/56/79/1093295679.db2.gz DQUGHBLGAIVUDU-RKDXNWHRSA-N -1 3 331.380 2.594 20 5 EFBDHM C[C@@H]1CC[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001590236051 1093323978 /nfs/dbraw/zinc/32/39/78/1093323978.db2.gz FROVKBIXVLKAAP-ZJUUUORDSA-N -1 3 339.359 2.924 20 5 EFBDHM C[C@@H]1CC[C@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001590236051 1093323986 /nfs/dbraw/zinc/32/39/86/1093323986.db2.gz FROVKBIXVLKAAP-ZJUUUORDSA-N -1 3 339.359 2.924 20 5 EFBDHM C[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)[C@@H](C)C1 ZINC001590237861 1093325792 /nfs/dbraw/zinc/32/57/92/1093325792.db2.gz CQSQYBVVXQDUDO-UTLUCORTSA-N -1 3 331.380 2.594 20 5 EFBDHM C[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)[C@@H](C)C1 ZINC001590237861 1093325800 /nfs/dbraw/zinc/32/58/00/1093325800.db2.gz CQSQYBVVXQDUDO-UTLUCORTSA-N -1 3 331.380 2.594 20 5 EFBDHM C[C@H]1CCCC[C@H]1CCNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001590250516 1093337514 /nfs/dbraw/zinc/33/75/14/1093337514.db2.gz FKJSLGJGKRWDKO-QWRGUYRKSA-N -1 3 345.407 2.985 20 5 EFBDHM C[C@H]1CCCC[C@H]1CCNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001590250516 1093337517 /nfs/dbraw/zinc/33/75/17/1093337517.db2.gz FKJSLGJGKRWDKO-QWRGUYRKSA-N -1 3 345.407 2.985 20 5 EFBDHM C[C@H]1CCCC[C@@H]1CCNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001590250519 1093338195 /nfs/dbraw/zinc/33/81/95/1093338195.db2.gz FKJSLGJGKRWDKO-WDEREUQCSA-N -1 3 345.407 2.985 20 5 EFBDHM C[C@H]1CCCC[C@@H]1CCNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001590250519 1093338199 /nfs/dbraw/zinc/33/81/99/1093338199.db2.gz FKJSLGJGKRWDKO-WDEREUQCSA-N -1 3 345.407 2.985 20 5 EFBDHM C[C@@H]1Oc2ccccc2[C@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590336105 1093381033 /nfs/dbraw/zinc/38/10/33/1093381033.db2.gz JNUBKRGAEDAURO-VFZGTOFNSA-N -1 3 338.327 2.709 20 5 EFBDHM C[C@@H]1Oc2ccccc2[C@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590336105 1093381041 /nfs/dbraw/zinc/38/10/41/1093381041.db2.gz JNUBKRGAEDAURO-VFZGTOFNSA-N -1 3 338.327 2.709 20 5 EFBDHM C[C@@H]1Oc2ccccc2[C@@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590336100 1093381854 /nfs/dbraw/zinc/38/18/54/1093381854.db2.gz JNUBKRGAEDAURO-BJOHPYRUSA-N -1 3 338.327 2.709 20 5 EFBDHM C[C@@H]1Oc2ccccc2[C@@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590336100 1093381861 /nfs/dbraw/zinc/38/18/61/1093381861.db2.gz JNUBKRGAEDAURO-BJOHPYRUSA-N -1 3 338.327 2.709 20 5 EFBDHM CCC(C)(CC)C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590381275 1093399380 /nfs/dbraw/zinc/39/93/80/1093399380.db2.gz IXSJBMYGWKTLNQ-UHFFFAOYSA-N -1 3 333.348 2.644 20 5 EFBDHM CCC(C)(CC)C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590381275 1093399387 /nfs/dbraw/zinc/39/93/87/1093399387.db2.gz IXSJBMYGWKTLNQ-UHFFFAOYSA-N -1 3 333.348 2.644 20 5 EFBDHM CCC(F)(F)C(C)(C)CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590451263 1093425846 /nfs/dbraw/zinc/42/58/46/1093425846.db2.gz DMUFWWWLIJCEEQ-UHFFFAOYSA-N -1 3 341.322 2.653 20 5 EFBDHM CCC(F)(F)C(C)(C)CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590451263 1093425848 /nfs/dbraw/zinc/42/58/48/1093425848.db2.gz DMUFWWWLIJCEEQ-UHFFFAOYSA-N -1 3 341.322 2.653 20 5 EFBDHM CC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H]1CCCCO1 ZINC001590472751 1093445224 /nfs/dbraw/zinc/44/52/24/1093445224.db2.gz HFFWANALSAPASX-OCCSQVGLSA-N -1 3 332.364 2.535 20 5 EFBDHM CC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H]1CCCCO1 ZINC001590472751 1093445226 /nfs/dbraw/zinc/44/52/26/1093445226.db2.gz HFFWANALSAPASX-OCCSQVGLSA-N -1 3 332.364 2.535 20 5 EFBDHM CC[C@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1nccs1 ZINC001590473580 1093446248 /nfs/dbraw/zinc/44/62/48/1093446248.db2.gz QKESXDRCMFFIBQ-JTQLQIEISA-N -1 3 331.361 2.795 20 5 EFBDHM CC[C@@H]1CCCC[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590512305 1093468127 /nfs/dbraw/zinc/46/81/27/1093468127.db2.gz QEECUZFYPUOEEH-MNOVXSKESA-N -1 3 331.380 2.798 20 5 EFBDHM CC[C@@H]1CCCC[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590512305 1093468129 /nfs/dbraw/zinc/46/81/29/1093468129.db2.gz QEECUZFYPUOEEH-MNOVXSKESA-N -1 3 331.380 2.798 20 5 EFBDHM CCCC(C)(C)C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590541840 1093477960 /nfs/dbraw/zinc/47/79/60/1093477960.db2.gz OKOXPRXKPOEWIX-UHFFFAOYSA-N -1 3 333.348 2.644 20 5 EFBDHM CCCC(C)(C)C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590541840 1093477962 /nfs/dbraw/zinc/47/79/62/1093477962.db2.gz OKOXPRXKPOEWIX-UHFFFAOYSA-N -1 3 333.348 2.644 20 5 EFBDHM CCO[C@@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C12CCC2 ZINC001590793981 1093573170 /nfs/dbraw/zinc/57/31/70/1093573170.db2.gz SSXZLBXIRCBLIM-ZIAGYGMSSA-N -1 3 344.375 2.535 20 5 EFBDHM CCO[C@@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C12CCC2 ZINC001590793981 1093573178 /nfs/dbraw/zinc/57/31/78/1093573178.db2.gz SSXZLBXIRCBLIM-ZIAGYGMSSA-N -1 3 344.375 2.535 20 5 EFBDHM CCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001590891512 1093620438 /nfs/dbraw/zinc/62/04/38/1093620438.db2.gz JRZSUPYOHGLSLL-UHFFFAOYSA-N -1 3 338.327 2.590 20 5 EFBDHM CCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001590891512 1093620442 /nfs/dbraw/zinc/62/04/42/1093620442.db2.gz JRZSUPYOHGLSLL-UHFFFAOYSA-N -1 3 338.327 2.590 20 5 EFBDHM CCc1cccc(N(C)Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001590894327 1093621280 /nfs/dbraw/zinc/62/12/80/1093621280.db2.gz FGOJWNPMHDGCII-UHFFFAOYSA-N -1 3 338.371 2.974 20 5 EFBDHM CCc1cccc(N(C)Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001590894327 1093621285 /nfs/dbraw/zinc/62/12/85/1093621285.db2.gz FGOJWNPMHDGCII-UHFFFAOYSA-N -1 3 338.371 2.974 20 5 EFBDHM CN(CCc1cccc([N+](=O)[O-])c1)c1cc(F)ccc1-c1nnn[n-]1 ZINC001591121800 1093665209 /nfs/dbraw/zinc/66/52/09/1093665209.db2.gz XPCSRXCKDQLCKV-UHFFFAOYSA-N -1 3 342.334 2.593 20 5 EFBDHM CN(CCc1cccc([N+](=O)[O-])c1)c1cc(F)ccc1-c1nn[n-]n1 ZINC001591121800 1093665211 /nfs/dbraw/zinc/66/52/11/1093665211.db2.gz XPCSRXCKDQLCKV-UHFFFAOYSA-N -1 3 342.334 2.593 20 5 EFBDHM CN(Cc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591147038 1093673691 /nfs/dbraw/zinc/67/36/91/1093673691.db2.gz VBZPYBANNCADQH-UHFFFAOYSA-N -1 3 328.307 2.550 20 5 EFBDHM CN(Cc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591147038 1093673695 /nfs/dbraw/zinc/67/36/95/1093673695.db2.gz VBZPYBANNCADQH-UHFFFAOYSA-N -1 3 328.307 2.550 20 5 EFBDHM CO[C@@H](CNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1)CC(C)C ZINC001591328430 1093693795 /nfs/dbraw/zinc/69/37/95/1093693795.db2.gz DKNAUSMMVBYABM-LLVKDONJSA-N -1 3 334.380 2.556 20 5 EFBDHM CO[C@@H](CNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1)CC(C)C ZINC001591328430 1093693798 /nfs/dbraw/zinc/69/37/98/1093693798.db2.gz DKNAUSMMVBYABM-LLVKDONJSA-N -1 3 334.380 2.556 20 5 EFBDHM COCC(C)(C)CCCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001591368509 1093706003 /nfs/dbraw/zinc/70/60/03/1093706003.db2.gz MBYGGOSDUAYNFY-UHFFFAOYSA-N -1 3 334.380 2.640 20 5 EFBDHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc([N+](=O)[O-])c(C)c1 ZINC001591504989 1093743025 /nfs/dbraw/zinc/74/30/25/1093743025.db2.gz QRROWZJQPYVMDI-UHFFFAOYSA-N -1 3 327.300 2.884 20 5 EFBDHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc([N+](=O)[O-])c(C)c1 ZINC001591504989 1093743035 /nfs/dbraw/zinc/74/30/35/1093743035.db2.gz QRROWZJQPYVMDI-UHFFFAOYSA-N -1 3 327.300 2.884 20 5 EFBDHM COc1cc(F)cc(Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])c1 ZINC001591540907 1093759356 /nfs/dbraw/zinc/75/93/56/1093759356.db2.gz ULBZZPMDKLUAFU-UHFFFAOYSA-N -1 3 330.279 2.666 20 5 EFBDHM COc1cc(F)cc(Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])c1 ZINC001591540907 1093759363 /nfs/dbraw/zinc/75/93/63/1093759363.db2.gz ULBZZPMDKLUAFU-UHFFFAOYSA-N -1 3 330.279 2.666 20 5 EFBDHM COc1cc(Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])cc(OC)c1 ZINC001591548050 1093762694 /nfs/dbraw/zinc/76/26/94/1093762694.db2.gz WKEFSLQQRGMXCE-UHFFFAOYSA-N -1 3 342.315 2.536 20 5 EFBDHM COc1cc(Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])cc(OC)c1 ZINC001591548050 1093762698 /nfs/dbraw/zinc/76/26/98/1093762698.db2.gz WKEFSLQQRGMXCE-UHFFFAOYSA-N -1 3 342.315 2.536 20 5 EFBDHM COc1cc(OC)cc(Oc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001591552847 1093764925 /nfs/dbraw/zinc/76/49/25/1093764925.db2.gz XGXXRRIYQFTPBR-UHFFFAOYSA-N -1 3 343.299 2.584 20 5 EFBDHM COc1cc(OC)cc(Oc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001591552847 1093764927 /nfs/dbraw/zinc/76/49/27/1093764927.db2.gz XGXXRRIYQFTPBR-UHFFFAOYSA-N -1 3 343.299 2.584 20 5 EFBDHM COc1ccc([N+](=O)[O-])cc1NCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001591623377 1093802779 /nfs/dbraw/zinc/80/27/79/1093802779.db2.gz RXBWQFHKLFZTBD-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM COc1ccc([N+](=O)[O-])cc1NCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001591623377 1093802787 /nfs/dbraw/zinc/80/27/87/1093802787.db2.gz RXBWQFHKLFZTBD-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM COc1ccc([N+](=O)[O-])c(OCc2ccc(C)c(-c3nnn[n-]3)c2)c1 ZINC001591622781 1093803596 /nfs/dbraw/zinc/80/35/96/1093803596.db2.gz CMDMEOHRBGNJBF-UHFFFAOYSA-N -1 3 341.327 2.671 20 5 EFBDHM COc1ccc([N+](=O)[O-])c(OCc2ccc(C)c(-c3nn[n-]n3)c2)c1 ZINC001591622781 1093803602 /nfs/dbraw/zinc/80/36/02/1093803602.db2.gz CMDMEOHRBGNJBF-UHFFFAOYSA-N -1 3 341.327 2.671 20 5 EFBDHM COc1ccc([N+](=O)[O-])cc1O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001591623707 1093804215 /nfs/dbraw/zinc/80/42/15/1093804215.db2.gz UBCURZRFYGKDJU-SNVBAGLBSA-N -1 3 341.327 2.924 20 5 EFBDHM COc1ccc([N+](=O)[O-])cc1O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001591623707 1093804218 /nfs/dbraw/zinc/80/42/18/1093804218.db2.gz UBCURZRFYGKDJU-SNVBAGLBSA-N -1 3 341.327 2.924 20 5 EFBDHM COc1cccc(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c1C ZINC001591639116 1093811657 /nfs/dbraw/zinc/81/16/57/1093811657.db2.gz CJMRTMWYDLHHCM-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM COc1cccc(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c1C ZINC001591639116 1093811660 /nfs/dbraw/zinc/81/16/60/1093811660.db2.gz CJMRTMWYDLHHCM-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM CS[C@H]1CCCCN(c2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001591689378 1093825088 /nfs/dbraw/zinc/82/50/88/1093825088.db2.gz FAGQDFOOMIJFLY-NSHDSACASA-N -1 3 348.432 2.805 20 5 EFBDHM CS[C@H]1CCCCN(c2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001591689378 1093825095 /nfs/dbraw/zinc/82/50/95/1093825095.db2.gz FAGQDFOOMIJFLY-NSHDSACASA-N -1 3 348.432 2.805 20 5 EFBDHM C[C@H](CC1CCCCC1)Nc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591760728 1093849617 /nfs/dbraw/zinc/84/96/17/1093849617.db2.gz YPZHTNOQOKBYRD-SNVBAGLBSA-N -1 3 331.380 2.941 20 5 EFBDHM C[C@H](CC1CCCCC1)Nc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591760728 1093849625 /nfs/dbraw/zinc/84/96/25/1093849625.db2.gz YPZHTNOQOKBYRD-SNVBAGLBSA-N -1 3 331.380 2.941 20 5 EFBDHM Cc1cc(-c2nnn[n-]2)cc(N[C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC001591856924 1093894861 /nfs/dbraw/zinc/89/48/61/1093894861.db2.gz CQURUEOTKJKSJD-JTQLQIEISA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1cc(-c2nn[n-]n2)cc(N[C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC001591856924 1093894869 /nfs/dbraw/zinc/89/48/69/1093894869.db2.gz CQURUEOTKJKSJD-JTQLQIEISA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1cc(-c2nnn[n-]2)cc(N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC001591858298 1093896700 /nfs/dbraw/zinc/89/67/00/1093896700.db2.gz OFFXCUPSOIRTPE-LLVKDONJSA-N -1 3 339.359 2.960 20 5 EFBDHM Cc1cc(-c2nn[n-]n2)cc(N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC001591858298 1093896706 /nfs/dbraw/zinc/89/67/06/1093896706.db2.gz OFFXCUPSOIRTPE-LLVKDONJSA-N -1 3 339.359 2.960 20 5 EFBDHM Cc1cc(C)c(CNc2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)cn1 ZINC001591948401 1093928426 /nfs/dbraw/zinc/92/84/26/1093928426.db2.gz GOIZUADDJVDVOE-UHFFFAOYSA-N -1 3 339.359 2.707 20 5 EFBDHM Cc1cc(C)c(CNc2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)cn1 ZINC001591948401 1093928427 /nfs/dbraw/zinc/92/84/27/1093928427.db2.gz GOIZUADDJVDVOE-UHFFFAOYSA-N -1 3 339.359 2.707 20 5 EFBDHM Cc1cc(F)ccc1CCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001591992376 1093949810 /nfs/dbraw/zinc/94/98/10/1093949810.db2.gz LXUSMRWUFDKYGF-UHFFFAOYSA-N -1 3 342.334 2.877 20 5 EFBDHM Cc1cc(NCC(C)(C)OCC2CC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592039312 1093964539 /nfs/dbraw/zinc/96/45/39/1093964539.db2.gz QQDGSMPKSHEZGZ-UHFFFAOYSA-N -1 3 346.391 2.700 20 5 EFBDHM Cc1cc(NCC(C)(C)OCC2CC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592039312 1093964541 /nfs/dbraw/zinc/96/45/41/1093964541.db2.gz QQDGSMPKSHEZGZ-UHFFFAOYSA-N -1 3 346.391 2.700 20 5 EFBDHM Cc1cc(NC[C@@H]2CCC(F)(F)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592043661 1093964903 /nfs/dbraw/zinc/96/49/03/1093964903.db2.gz JDMHGHRZSNMDQT-SECBINFHSA-N -1 3 338.318 2.931 20 5 EFBDHM Cc1cc(NC[C@@H]2CCC(F)(F)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592043661 1093964907 /nfs/dbraw/zinc/96/49/07/1093964907.db2.gz JDMHGHRZSNMDQT-SECBINFHSA-N -1 3 338.318 2.931 20 5 EFBDHM Cc1cc(NCC2(C)CC(F)(F)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592041349 1093965507 /nfs/dbraw/zinc/96/55/07/1093965507.db2.gz FILJFVFKOABGEL-UHFFFAOYSA-N -1 3 338.318 2.931 20 5 EFBDHM Cc1cc(NCC2(C)CC(F)(F)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592041349 1093965509 /nfs/dbraw/zinc/96/55/09/1093965509.db2.gz FILJFVFKOABGEL-UHFFFAOYSA-N -1 3 338.318 2.931 20 5 EFBDHM Cc1cc(NC[C@@H]2C[C@H]2C(F)(F)F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592051368 1093967734 /nfs/dbraw/zinc/96/77/34/1093967734.db2.gz LTSRUPGESNSCIO-IONNQARKSA-N -1 3 342.281 2.694 20 5 EFBDHM Cc1cc(NC[C@@H]2C[C@H]2C(F)(F)F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592051368 1093967737 /nfs/dbraw/zinc/96/77/37/1093967737.db2.gz LTSRUPGESNSCIO-IONNQARKSA-N -1 3 342.281 2.694 20 5 EFBDHM Cc1cc(OCc2ccccc2-c2nnn[n-]2)c(F)cc1[N+](=O)[O-] ZINC001592061927 1093972067 /nfs/dbraw/zinc/97/20/67/1093972067.db2.gz OCQPYDMVAOUNTP-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1cc(OCc2ccccc2-c2nn[n-]n2)c(F)cc1[N+](=O)[O-] ZINC001592061927 1093972069 /nfs/dbraw/zinc/97/20/69/1093972069.db2.gz OCQPYDMVAOUNTP-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1csc(NC(=O)c2ccc([N+](=O)[O-])cc2C)c1-c1nnn[n-]1 ZINC001592069152 1093973610 /nfs/dbraw/zinc/97/36/10/1093973610.db2.gz ZENLVHAKFATXSE-UHFFFAOYSA-N -1 3 344.356 2.706 20 5 EFBDHM Cc1csc(NC(=O)c2ccc([N+](=O)[O-])cc2C)c1-c1nn[n-]n1 ZINC001592069152 1093973614 /nfs/dbraw/zinc/97/36/14/1093973614.db2.gz ZENLVHAKFATXSE-UHFFFAOYSA-N -1 3 344.356 2.706 20 5 EFBDHM Cc1ccc(COc2ccc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC001592170321 1094013676 /nfs/dbraw/zinc/01/36/76/1094013676.db2.gz JHKLJVADEJNVOD-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1ccc(COc2ccc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC001592170321 1094013680 /nfs/dbraw/zinc/01/36/80/1094013680.db2.gz JHKLJVADEJNVOD-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1ccc(F)c(CCNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])c1 ZINC001592173676 1094015222 /nfs/dbraw/zinc/01/52/22/1094015222.db2.gz HNQCAYQETYLNOL-UHFFFAOYSA-N -1 3 342.334 2.877 20 5 EFBDHM Cc1ccc(F)c(CCNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])c1 ZINC001592173676 1094015228 /nfs/dbraw/zinc/01/52/28/1094015228.db2.gz HNQCAYQETYLNOL-UHFFFAOYSA-N -1 3 342.334 2.877 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1OCCc1ccc(-c2nnn[n-]2)cc1 ZINC001592198031 1094024688 /nfs/dbraw/zinc/02/46/88/1094024688.db2.gz UQNLGCVHPKDAAD-UHFFFAOYSA-N -1 3 325.328 2.705 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1OCCc1ccc(-c2nn[n-]n2)cc1 ZINC001592198031 1094024697 /nfs/dbraw/zinc/02/46/97/1094024697.db2.gz UQNLGCVHPKDAAD-UHFFFAOYSA-N -1 3 325.328 2.705 20 5 EFBDHM Cc1ccc(OCc2ccc(-c3nnn[n-]3)c(F)c2)c([N+](=O)[O-])c1 ZINC001592191622 1094024927 /nfs/dbraw/zinc/02/49/27/1094024927.db2.gz YIABZOKKDPQUDR-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1ccc(OCc2ccc(-c3nn[n-]n3)c(F)c2)c([N+](=O)[O-])c1 ZINC001592191622 1094024933 /nfs/dbraw/zinc/02/49/33/1094024933.db2.gz YIABZOKKDPQUDR-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1cccc2c1CN(c1cc(-c3nnn[n-]3)ccc1[N+](=O)[O-])CC2 ZINC001592244956 1094046010 /nfs/dbraw/zinc/04/60/10/1094046010.db2.gz SWVBXMPYAKEUPV-UHFFFAOYSA-N -1 3 336.355 2.646 20 5 EFBDHM Cc1cccc2c1CN(c1cc(-c3nn[n-]n3)ccc1[N+](=O)[O-])CC2 ZINC001592244956 1094046016 /nfs/dbraw/zinc/04/60/16/1094046016.db2.gz SWVBXMPYAKEUPV-UHFFFAOYSA-N -1 3 336.355 2.646 20 5 EFBDHM Cc1ccccc1C[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592257941 1094055661 /nfs/dbraw/zinc/05/56/61/1094055661.db2.gz ZQNJFXMZYVUWDT-LLVKDONJSA-N -1 3 339.359 2.521 20 5 EFBDHM Cc1ccccc1C[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592257941 1094055666 /nfs/dbraw/zinc/05/56/66/1094055666.db2.gz ZQNJFXMZYVUWDT-LLVKDONJSA-N -1 3 339.359 2.521 20 5 EFBDHM Cc1cccnc1CCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592263202 1094059469 /nfs/dbraw/zinc/05/94/69/1094059469.db2.gz WAEGPHRMKQJTAD-UHFFFAOYSA-N -1 3 339.359 2.523 20 5 EFBDHM Cc1cccnc1CCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592263202 1094059476 /nfs/dbraw/zinc/05/94/76/1094059476.db2.gz WAEGPHRMKQJTAD-UHFFFAOYSA-N -1 3 339.359 2.523 20 5 EFBDHM Cc1ccnc(N[C@H]2CCc3cc(-c4nnn[n-]4)ccc32)c1[N+](=O)[O-] ZINC001592275821 1094062253 /nfs/dbraw/zinc/06/22/53/1094062253.db2.gz TWSPSQAJNXPKLE-ZDUSSCGKSA-N -1 3 337.343 2.578 20 5 EFBDHM Cc1ccnc(N[C@H]2CCc3cc(-c4nn[n-]n4)ccc32)c1[N+](=O)[O-] ZINC001592275821 1094062261 /nfs/dbraw/zinc/06/22/61/1094062261.db2.gz TWSPSQAJNXPKLE-ZDUSSCGKSA-N -1 3 337.343 2.578 20 5 EFBDHM Cc1cnc(CNc2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)c(C)c1 ZINC001592293803 1094068443 /nfs/dbraw/zinc/06/84/43/1094068443.db2.gz KFEVSPFLRYZCRW-UHFFFAOYSA-N -1 3 339.359 2.707 20 5 EFBDHM Cc1cnc(CNc2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)c(C)c1 ZINC001592293803 1094068447 /nfs/dbraw/zinc/06/84/47/1094068447.db2.gz KFEVSPFLRYZCRW-UHFFFAOYSA-N -1 3 339.359 2.707 20 5 EFBDHM Cc1nc(CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])sc1C ZINC001592361562 1094088958 /nfs/dbraw/zinc/08/89/58/1094088958.db2.gz UCFDIZVXXDBAAW-UHFFFAOYSA-N -1 3 349.351 2.599 20 5 EFBDHM Cc1nc(CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])sc1C ZINC001592361562 1094088964 /nfs/dbraw/zinc/08/89/64/1094088964.db2.gz UCFDIZVXXDBAAW-UHFFFAOYSA-N -1 3 349.351 2.599 20 5 EFBDHM Cc1ncc([C@@H](C)Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])s1 ZINC001592409180 1094101772 /nfs/dbraw/zinc/10/17/72/1094101772.db2.gz WPAYJYOLGAMGEZ-SSDOTTSWSA-N -1 3 331.361 2.713 20 5 EFBDHM Cc1ncc([C@@H](C)Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])s1 ZINC001592409180 1094101776 /nfs/dbraw/zinc/10/17/76/1094101776.db2.gz WPAYJYOLGAMGEZ-SSDOTTSWSA-N -1 3 331.361 2.713 20 5 EFBDHM Cc1noc(C)c1[C@H](C)CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001592456018 1094107658 /nfs/dbraw/zinc/10/76/58/1094107658.db2.gz CEBMXLTXPAUPAL-MRVPVSSYSA-N -1 3 343.347 2.595 20 5 EFBDHM Cc1noc(C)c1[C@H](C)CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001592456018 1094107663 /nfs/dbraw/zinc/10/76/63/1094107663.db2.gz CEBMXLTXPAUPAL-MRVPVSSYSA-N -1 3 343.347 2.595 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(NC[C@@H]2C[C@H]2C2CCCC2)c1-c1nnn[n-]1 ZINC001592758073 1094184309 /nfs/dbraw/zinc/18/43/09/1094184309.db2.gz RSHDZEROVPMERE-QWRGUYRKSA-N -1 3 343.391 2.595 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(NC[C@@H]2C[C@H]2C2CCCC2)c1-c1nn[n-]n1 ZINC001592758073 1094184312 /nfs/dbraw/zinc/18/43/12/1094184312.db2.gz RSHDZEROVPMERE-QWRGUYRKSA-N -1 3 343.391 2.595 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(NC2CCCCCCC2)c1-c1nnn[n-]1 ZINC001592756589 1094184703 /nfs/dbraw/zinc/18/47/03/1094184703.db2.gz CNWNXIADGBYDRN-UHFFFAOYSA-N -1 3 331.380 2.882 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(NC2CCCCCCC2)c1-c1nn[n-]n1 ZINC001592756589 1094184707 /nfs/dbraw/zinc/18/47/07/1094184707.db2.gz CNWNXIADGBYDRN-UHFFFAOYSA-N -1 3 331.380 2.882 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(Oc2ccc3c(c2)CCC3)c1-c1nnn[n-]1 ZINC001592759278 1094185818 /nfs/dbraw/zinc/18/58/18/1094185818.db2.gz SAFMVIXNOSRFBX-UHFFFAOYSA-N -1 3 338.327 2.638 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(Oc2ccc3c(c2)CCC3)c1-c1nn[n-]n1 ZINC001592759278 1094185822 /nfs/dbraw/zinc/18/58/22/1094185822.db2.gz SAFMVIXNOSRFBX-UHFFFAOYSA-N -1 3 338.327 2.638 20 5 EFBDHM O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC001593228180 1094246342 /nfs/dbraw/zinc/24/63/42/1094246342.db2.gz JNGTXRGIFMFOPN-UHFFFAOYSA-N -1 3 344.718 2.681 20 5 EFBDHM O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC001593228180 1094246348 /nfs/dbraw/zinc/24/63/48/1094246348.db2.gz JNGTXRGIFMFOPN-UHFFFAOYSA-N -1 3 344.718 2.681 20 5 EFBDHM O=C(c1cc2cc([N+](=O)[O-])ccc2o1)c1ccc(-c2nnn[n-]2)cc1 ZINC001593336430 1094288726 /nfs/dbraw/zinc/28/87/26/1094288726.db2.gz NMEGEMVKYBMTFQ-UHFFFAOYSA-N -1 3 335.279 2.752 20 5 EFBDHM O=C(c1cc2cc([N+](=O)[O-])ccc2o1)c1ccc(-c2nn[n-]n2)cc1 ZINC001593336430 1094288731 /nfs/dbraw/zinc/28/87/31/1094288731.db2.gz NMEGEMVKYBMTFQ-UHFFFAOYSA-N -1 3 335.279 2.752 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NC[C@@H]1CCC(F)(F)C1 ZINC001593468838 1094311316 /nfs/dbraw/zinc/31/13/16/1094311316.db2.gz RJKIQCZVDHQKIY-SSDOTTSWSA-N -1 3 342.281 2.761 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NC[C@@H]1CCC(F)(F)C1 ZINC001593468838 1094311327 /nfs/dbraw/zinc/31/13/27/1094311327.db2.gz RJKIQCZVDHQKIY-SSDOTTSWSA-N -1 3 342.281 2.761 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1CCCC2(CC2)CC1 ZINC001593469290 1094311372 /nfs/dbraw/zinc/31/13/72/1094311372.db2.gz XKGFDMJPYKQPBA-UHFFFAOYSA-N -1 3 332.339 2.685 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1CCCC2(CC2)CC1 ZINC001593469290 1094311380 /nfs/dbraw/zinc/31/13/80/1094311380.db2.gz XKGFDMJPYKQPBA-UHFFFAOYSA-N -1 3 332.339 2.685 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NCCCc1ccco1 ZINC001593469199 1094311659 /nfs/dbraw/zinc/31/16/59/1094311659.db2.gz SRSBNBYCUUFKKE-UHFFFAOYSA-N -1 3 332.295 2.552 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NCCCc1ccco1 ZINC001593469199 1094311663 /nfs/dbraw/zinc/31/16/63/1094311663.db2.gz SRSBNBYCUUFKKE-UHFFFAOYSA-N -1 3 332.295 2.552 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H](C1CCC1)[C@H]1CCCO1 ZINC001593467991 1094311759 /nfs/dbraw/zinc/31/17/59/1094311759.db2.gz HNCWNYXUPTZNJJ-HUUCEWRRSA-N -1 3 344.375 2.535 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H](C1CCC1)[C@H]1CCCO1 ZINC001593467991 1094311764 /nfs/dbraw/zinc/31/17/64/1094311764.db2.gz HNCWNYXUPTZNJJ-HUUCEWRRSA-N -1 3 344.375 2.535 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC(Cc2ccsc2)C1 ZINC001593469152 1094312185 /nfs/dbraw/zinc/31/21/85/1094312185.db2.gz YMESDOBESLFFMN-UHFFFAOYSA-N -1 3 342.384 2.515 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC(Cc2ccsc2)C1 ZINC001593469152 1094312195 /nfs/dbraw/zinc/31/21/95/1094312195.db2.gz YMESDOBESLFFMN-UHFFFAOYSA-N -1 3 342.384 2.515 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001593467874 1094312494 /nfs/dbraw/zinc/31/24/94/1094312494.db2.gz FRHOWXCQARFXLJ-ZFWWWQNUSA-N -1 3 340.387 2.790 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001593467874 1094312501 /nfs/dbraw/zinc/31/25/01/1094312501.db2.gz FRHOWXCQARFXLJ-ZFWWWQNUSA-N -1 3 340.387 2.790 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1CCCC12CCOCC2 ZINC001593470793 1094313874 /nfs/dbraw/zinc/31/38/74/1094313874.db2.gz LQOWLELLEWTRRH-CQSZACIVSA-N -1 3 344.375 2.536 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCCC12CCOCC2 ZINC001593470793 1094313887 /nfs/dbraw/zinc/31/38/87/1094313887.db2.gz LQOWLELLEWTRRH-CQSZACIVSA-N -1 3 344.375 2.536 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1Oc1ccc(F)cc1Cl ZINC001593473195 1094314073 /nfs/dbraw/zinc/31/40/73/1094314073.db2.gz PLVZVXWVMNCNSF-UHFFFAOYSA-N -1 3 336.670 2.755 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1Oc1ccc(F)cc1Cl ZINC001593473195 1094314090 /nfs/dbraw/zinc/31/40/90/1094314090.db2.gz PLVZVXWVMNCNSF-UHFFFAOYSA-N -1 3 336.670 2.755 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCC1(c2ccccc2)CC1 ZINC001593469954 1094314298 /nfs/dbraw/zinc/31/42/98/1094314298.db2.gz FHQFEPKDYPWGRB-UHFFFAOYSA-N -1 3 336.355 2.919 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCC1(c2ccccc2)CC1 ZINC001593469954 1094314307 /nfs/dbraw/zinc/31/43/07/1094314307.db2.gz FHQFEPKDYPWGRB-UHFFFAOYSA-N -1 3 336.355 2.919 20 5 EFBDHM O=[N+]([O-])c1cc(N2CC[C@H]2c2cccc(F)c2)ccc1-c1nnn[n-]1 ZINC001593471617 1094315334 /nfs/dbraw/zinc/31/53/34/1094315334.db2.gz PISCSTQACIAYOC-AWEZNQCLSA-N -1 3 340.318 2.865 20 5 EFBDHM O=[N+]([O-])c1cc(NCC[C@@H]2CCC3(CCC3)O2)ccc1-c1nnn[n-]1 ZINC001593474545 1094316971 /nfs/dbraw/zinc/31/69/71/1094316971.db2.gz SGRKHSJDCBLHMC-LBPRGKRZSA-N -1 3 344.375 2.679 20 5 EFBDHM O=[N+]([O-])c1cc(NC[C@@H]2CCC3(CCC3)CO2)ccc1-c1nnn[n-]1 ZINC001593473496 1094317324 /nfs/dbraw/zinc/31/73/24/1094317324.db2.gz FPKXRWAIUVOEIX-LBPRGKRZSA-N -1 3 344.375 2.536 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NC[C@@H]1CCC2(CCCC2)O1 ZINC001593474801 1094317453 /nfs/dbraw/zinc/31/74/53/1094317453.db2.gz KYULMMZYLWCHEI-LBPRGKRZSA-N -1 3 344.375 2.679 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NC[C@@H]1CCC2(CCCC2)O1 ZINC001593474801 1094317463 /nfs/dbraw/zinc/31/74/63/1094317463.db2.gz KYULMMZYLWCHEI-LBPRGKRZSA-N -1 3 344.375 2.679 20 5 EFBDHM O=[N+]([O-])c1cc(NCCCc2cccc(F)c2)ccc1-c1nnn[n-]1 ZINC001593473420 1094318415 /nfs/dbraw/zinc/31/84/15/1094318415.db2.gz BKOYKHSIXSLHTQ-UHFFFAOYSA-N -1 3 342.334 2.959 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1Oc1ccc2cccnc2c1 ZINC001593473344 1094318984 /nfs/dbraw/zinc/31/89/84/1094318984.db2.gz YCLCGTPBEUCAIX-UHFFFAOYSA-N -1 3 335.283 2.510 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1Oc1ccc2cccnc2c1 ZINC001593473344 1094318994 /nfs/dbraw/zinc/31/89/94/1094318994.db2.gz YCLCGTPBEUCAIX-UHFFFAOYSA-N -1 3 335.283 2.510 20 5 EFBDHM O=[N+]([O-])c1cc(N[C@H](C2CC2)[C@H]2CCCCO2)ccc1-c1nnn[n-]1 ZINC001593474567 1094319024 /nfs/dbraw/zinc/31/90/24/1094319024.db2.gz TVULMUABXMFORW-HUUCEWRRSA-N -1 3 344.375 2.535 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CCCc2ccccc2C1 ZINC001593476133 1094320191 /nfs/dbraw/zinc/32/01/91/1094320191.db2.gz VAVUBATZZGGVAF-UHFFFAOYSA-N -1 3 336.355 2.728 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CCCc2ccccc2C1 ZINC001593476133 1094320203 /nfs/dbraw/zinc/32/02/03/1094320203.db2.gz VAVUBATZZGGVAF-UHFFFAOYSA-N -1 3 336.355 2.728 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N[C@@H](C1CC1)[C@H]1CCCCO1 ZINC001593476454 1094320553 /nfs/dbraw/zinc/32/05/53/1094320553.db2.gz WCGIAEDALGSGJR-CABCVRRESA-N -1 3 344.375 2.535 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N[C@@H](C1CC1)[C@H]1CCCCO1 ZINC001593476454 1094320564 /nfs/dbraw/zinc/32/05/64/1094320564.db2.gz WCGIAEDALGSGJR-CABCVRRESA-N -1 3 344.375 2.535 20 5 EFBDHM O=[N+]([O-])c1cc(NCc2cccc3cc[nH]c32)ccc1-c1nnn[n-]1 ZINC001593474973 1094320688 /nfs/dbraw/zinc/32/06/88/1094320688.db2.gz WJTBCVLKFZGDQS-UHFFFAOYSA-N -1 3 335.327 2.868 20 5 EFBDHM O=[N+]([O-])c1ccc(COc2cc(F)cc(-c3nnn[n-]3)c2)cc1F ZINC001593476366 1094320857 /nfs/dbraw/zinc/32/08/57/1094320857.db2.gz ZTZKCCLOAPUMMV-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1ccc(COc2cc(F)cc(-c3nn[n-]n3)c2)cc1F ZINC001593476366 1094320867 /nfs/dbraw/zinc/32/08/67/1094320867.db2.gz ZTZKCCLOAPUMMV-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NC[C@H]1CCC2(CCC2)CO1 ZINC001593474865 1094321465 /nfs/dbraw/zinc/32/14/65/1094321465.db2.gz LRGFGTDCYOIFMP-GFCCVEGCSA-N -1 3 344.375 2.536 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NC[C@H]1CCC2(CCC2)CO1 ZINC001593474865 1094321470 /nfs/dbraw/zinc/32/14/70/1094321470.db2.gz LRGFGTDCYOIFMP-GFCCVEGCSA-N -1 3 344.375 2.536 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCc1cc(F)cnc1Cl ZINC001593476076 1094321503 /nfs/dbraw/zinc/32/15/03/1094321503.db2.gz UWUCMQVUUCEZOA-UHFFFAOYSA-N -1 3 349.713 2.575 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCc1cc(F)cnc1Cl ZINC001593476076 1094321507 /nfs/dbraw/zinc/32/15/07/1094321507.db2.gz UWUCMQVUUCEZOA-UHFFFAOYSA-N -1 3 349.713 2.575 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCCc1cccc(F)c1 ZINC001593475620 1094321742 /nfs/dbraw/zinc/32/17/42/1094321742.db2.gz QXROVGWVEJHNCP-UHFFFAOYSA-N -1 3 328.307 2.569 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCCc1cccc(F)c1 ZINC001593475620 1094321756 /nfs/dbraw/zinc/32/17/56/1094321756.db2.gz QXROVGWVEJHNCP-UHFFFAOYSA-N -1 3 328.307 2.569 20 5 EFBDHM O=[N+]([O-])c1ccc(NCCCOC2CCCCC2)c(-c2nnn[n-]2)c1 ZINC001593478534 1094323609 /nfs/dbraw/zinc/32/36/09/1094323609.db2.gz VETVEGNYFMLSEX-UHFFFAOYSA-N -1 3 346.391 2.926 20 5 EFBDHM O=[N+]([O-])c1ccc(NCCCOC2CCCCC2)c(-c2nn[n-]n2)c1 ZINC001593478534 1094323620 /nfs/dbraw/zinc/32/36/20/1094323620.db2.gz VETVEGNYFMLSEX-UHFFFAOYSA-N -1 3 346.391 2.926 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCOC23CCCCC3)c(-c2nnn[n-]2)c1 ZINC001593478805 1094324330 /nfs/dbraw/zinc/32/43/30/1094324330.db2.gz YBALQRTXFJBEDS-CQSZACIVSA-N -1 3 344.375 2.679 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCOC23CCCCC3)c(-c2nn[n-]n2)c1 ZINC001593478805 1094324335 /nfs/dbraw/zinc/32/43/35/1094324335.db2.gz YBALQRTXFJBEDS-CQSZACIVSA-N -1 3 344.375 2.679 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@@H]2C[C@]2(F)c2ccccc2)c(-c2nnn[n-]2)c1 ZINC001593478996 1094324589 /nfs/dbraw/zinc/32/45/89/1094324589.db2.gz OUSFQOLMEWXXSI-ZBFHGGJFSA-N -1 3 340.318 2.824 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@@H]2C[C@]2(F)c2ccccc2)c(-c2nn[n-]n2)c1 ZINC001593478996 1094324596 /nfs/dbraw/zinc/32/45/96/1094324596.db2.gz OUSFQOLMEWXXSI-ZBFHGGJFSA-N -1 3 340.318 2.824 20 5 EFBDHM O=[N+]([O-])c1ccc(NC2(Cc3ccccc3)CC2)c(-c2nnn[n-]2)c1 ZINC001593478463 1094324857 /nfs/dbraw/zinc/32/48/57/1094324857.db2.gz HRKFHIMVWBLJJL-UHFFFAOYSA-N -1 3 336.355 2.962 20 5 EFBDHM O=[N+]([O-])c1ccc(NC2(Cc3ccccc3)CC2)c(-c2nn[n-]n2)c1 ZINC001593478463 1094324866 /nfs/dbraw/zinc/32/48/66/1094324866.db2.gz HRKFHIMVWBLJJL-UHFFFAOYSA-N -1 3 336.355 2.962 20 5 EFBDHM O=[N+]([O-])c1ccc(OCc2cc(-c3nnn[n-]3)ccc2F)cc1F ZINC001593482755 1094325610 /nfs/dbraw/zinc/32/56/10/1094325610.db2.gz VJYXQAXMHIXEES-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1ccc(OCc2cc(-c3nn[n-]n3)ccc2F)cc1F ZINC001593482755 1094325622 /nfs/dbraw/zinc/32/56/22/1094325622.db2.gz VJYXQAXMHIXEES-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CSc1ccccc1O ZINC001593482697 1094325853 /nfs/dbraw/zinc/32/58/53/1094325853.db2.gz PUSWPJCNQCBKDA-UHFFFAOYSA-N -1 3 329.341 2.773 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1CSc1ccccc1O ZINC001593482697 1094325863 /nfs/dbraw/zinc/32/58/63/1094325863.db2.gz PUSWPJCNQCBKDA-UHFFFAOYSA-N -1 3 329.341 2.773 20 5 EFBDHM O=[N+]([O-])c1ccc(OCc2ccc(-c3nnn[n-]3)c(F)c2)c(F)c1 ZINC001593482840 1094326075 /nfs/dbraw/zinc/32/60/75/1094326075.db2.gz YHNZVVNULKWWEJ-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1ccc(OCc2ccc(-c3nn[n-]n3)c(F)c2)c(F)c1 ZINC001593482840 1094326080 /nfs/dbraw/zinc/32/60/80/1094326080.db2.gz YHNZVVNULKWWEJ-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCCCNc1ccccc1 ZINC001593481574 1094327583 /nfs/dbraw/zinc/32/75/83/1094327583.db2.gz SEXGJEXUMMLPGS-UHFFFAOYSA-N -1 3 339.359 2.689 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCCCNc1ccccc1 ZINC001593481574 1094327589 /nfs/dbraw/zinc/32/75/89/1094327589.db2.gz SEXGJEXUMMLPGS-UHFFFAOYSA-N -1 3 339.359 2.689 20 5 EFBDHM O=[N+]([O-])c1cncc(Cl)c1Sc1ccc(-c2nnn[n-]2)cc1 ZINC001593488062 1094330678 /nfs/dbraw/zinc/33/06/78/1094330678.db2.gz WDKRSFAMKIMZGN-UHFFFAOYSA-N -1 3 334.748 2.975 20 5 EFBDHM O=[N+]([O-])c1cncc(Cl)c1Sc1ccc(-c2nn[n-]n2)cc1 ZINC001593488062 1094330689 /nfs/dbraw/zinc/33/06/89/1094330689.db2.gz WDKRSFAMKIMZGN-UHFFFAOYSA-N -1 3 334.748 2.975 20 5 EFBDHM CCCCCC(=O)N(C)CCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001112046142 1095771588 /nfs/dbraw/zinc/77/15/88/1095771588.db2.gz GMFIXZBQZRYQAL-UHFFFAOYSA-N -1 3 338.408 2.560 20 5 EFBDHM O=C([O-])CC1(NCc2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC001601936744 1095983782 /nfs/dbraw/zinc/98/37/82/1095983782.db2.gz NPMQJTZYPCCSLW-UHFFFAOYSA-N -1 3 343.177 2.844 20 5 EFBDHM O=C([O-])C[C@H]1CCCCN1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC001601949601 1095990187 /nfs/dbraw/zinc/99/01/87/1095990187.db2.gz OVQATAGJSRJXFD-OAHLLOKOSA-N -1 3 344.371 2.745 20 5 EFBDHM O=C([O-])C[C@@H]1CCCCN1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC001601949600 1095990220 /nfs/dbraw/zinc/99/02/20/1095990220.db2.gz OVQATAGJSRJXFD-HNNXBMFYSA-N -1 3 344.371 2.745 20 5 EFBDHM O=C([O-])COc1ccc(CN2C[C@@H](C3CC3)[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC001602083795 1096053171 /nfs/dbraw/zinc/05/31/71/1096053171.db2.gz TUONOAMKABXZPR-KSSFIOAISA-N -1 3 346.383 2.679 20 5 EFBDHM O=C([O-])COc1ccc(CNC/C=C\c2ccccc2)cc1[N+](=O)[O-] ZINC001602083446 1096053374 /nfs/dbraw/zinc/05/33/74/1096053374.db2.gz NYAQSIUJUAHRTK-DAXSKMNVSA-N -1 3 342.351 2.861 20 5 EFBDHM C[C@@H](C(=O)Nc1sccc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC001603031199 1096420848 /nfs/dbraw/zinc/42/08/48/1096420848.db2.gz BPUGDLRQDQTFLX-MRVPVSSYSA-N -1 3 344.356 2.579 20 5 EFBDHM C[C@@H](C(=O)Nc1sccc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC001603031199 1096420854 /nfs/dbraw/zinc/42/08/54/1096420854.db2.gz BPUGDLRQDQTFLX-MRVPVSSYSA-N -1 3 344.356 2.579 20 5 EFBDHM CC(C)(CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1ccccn1 ZINC001603150894 1096460426 /nfs/dbraw/zinc/46/04/26/1096460426.db2.gz XBSNAHUFRNNKMH-UHFFFAOYSA-N -1 3 339.359 2.560 20 5 EFBDHM CC(C)(CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC001603150581 1096460672 /nfs/dbraw/zinc/46/06/72/1096460672.db2.gz FLAKAUFJYZMTFA-CQSZACIVSA-N -1 3 346.391 2.782 20 5 EFBDHM CC(C)(CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC001603150581 1096460676 /nfs/dbraw/zinc/46/06/76/1096460676.db2.gz FLAKAUFJYZMTFA-CQSZACIVSA-N -1 3 346.391 2.782 20 5 EFBDHM CC(C)[C@H]1C[C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC001603241250 1096482423 /nfs/dbraw/zinc/48/24/23/1096482423.db2.gz NVMFWFHITVQTNQ-XHDPSFHLSA-N -1 3 346.391 2.638 20 5 EFBDHM CC(C)[C@H]1C[C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO1 ZINC001603241250 1096482429 /nfs/dbraw/zinc/48/24/29/1096482429.db2.gz NVMFWFHITVQTNQ-XHDPSFHLSA-N -1 3 346.391 2.638 20 5 EFBDHM CC(C)[C@H]1C[C@@H](CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CCO1 ZINC001603241839 1096482863 /nfs/dbraw/zinc/48/28/63/1096482863.db2.gz ZPSTYGIFZLJUEM-XHDPSFHLSA-N -1 3 346.391 2.638 20 5 EFBDHM CC(C)[C@H]1C[C@@H](CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CCO1 ZINC001603241839 1096482867 /nfs/dbraw/zinc/48/28/67/1096482867.db2.gz ZPSTYGIFZLJUEM-XHDPSFHLSA-N -1 3 346.391 2.638 20 5 EFBDHM CC(C)[C@H]1CCCN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001603245909 1096484581 /nfs/dbraw/zinc/48/45/81/1096484581.db2.gz MMCMELGHLXYLLU-JTQLQIEISA-N -1 3 334.355 2.786 20 5 EFBDHM CC(C)[C@H]1CCCN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001603245909 1096484584 /nfs/dbraw/zinc/48/45/84/1096484584.db2.gz MMCMELGHLXYLLU-JTQLQIEISA-N -1 3 334.355 2.786 20 5 EFBDHM CC(C)[C@H]1N(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC12CC=CC2 ZINC001603254601 1096487234 /nfs/dbraw/zinc/48/72/34/1096487234.db2.gz XZZSQXDJNBVTHL-OAHLLOKOSA-N -1 3 340.387 2.956 20 5 EFBDHM C[C@@H](CNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1)c1ccccc1 ZINC001603554140 1096551278 /nfs/dbraw/zinc/55/12/78/1096551278.db2.gz FUSMYRBJIKSJKA-JTQLQIEISA-N -1 3 339.359 2.573 20 5 EFBDHM C[C@@H](CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1)c1ccccc1 ZINC001603554140 1096551287 /nfs/dbraw/zinc/55/12/87/1096551287.db2.gz FUSMYRBJIKSJKA-JTQLQIEISA-N -1 3 339.359 2.573 20 5 EFBDHM CC1(C)C[C@@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C(C)(C)O1 ZINC001603765225 1096618663 /nfs/dbraw/zinc/61/86/63/1096618663.db2.gz UKEJYTMBXLSYES-GFCCVEGCSA-N -1 3 332.364 2.533 20 5 EFBDHM CC1(C)C[C@@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C(C)(C)O1 ZINC001603765225 1096618666 /nfs/dbraw/zinc/61/86/66/1096618666.db2.gz UKEJYTMBXLSYES-GFCCVEGCSA-N -1 3 332.364 2.533 20 5 EFBDHM C[C@]1(CCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@]1(F)Cl ZINC001603799882 1096631716 /nfs/dbraw/zinc/63/17/16/1096631716.db2.gz DPTLWKRDWRCWGX-QWHCGFSZSA-N -1 3 340.746 2.892 20 5 EFBDHM C[C@]1(CCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@]1(F)Cl ZINC001603799882 1096631724 /nfs/dbraw/zinc/63/17/24/1096631724.db2.gz DPTLWKRDWRCWGX-QWHCGFSZSA-N -1 3 340.746 2.892 20 5 EFBDHM C[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001603870858 1096650687 /nfs/dbraw/zinc/65/06/87/1096650687.db2.gz HISNWEMUCFYTJP-UHIISALHSA-N -1 3 328.376 2.932 20 5 EFBDHM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001603870857 1096651232 /nfs/dbraw/zinc/65/12/32/1096651232.db2.gz HISNWEMUCFYTJP-SUNKGSAMSA-N -1 3 328.376 2.932 20 5 EFBDHM CC1CCC(CNc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)CC1 ZINC001603878468 1096653873 /nfs/dbraw/zinc/65/38/73/1096653873.db2.gz RGWDWYWDTBIMBZ-UHFFFAOYSA-N -1 3 331.380 2.595 20 5 EFBDHM CC1CCC(CNc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)CC1 ZINC001603878468 1096653878 /nfs/dbraw/zinc/65/38/78/1096653878.db2.gz RGWDWYWDTBIMBZ-UHFFFAOYSA-N -1 3 331.380 2.595 20 5 EFBDHM C[C@H]1CCC[C@@H](C(=O)OCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001603884142 1096657396 /nfs/dbraw/zinc/65/73/96/1096657396.db2.gz ICRKQZUNQLDEFW-WDEREUQCSA-N -1 3 345.359 2.644 20 5 EFBDHM C[C@H]1CCC[C@@H](C(=O)OCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001603884142 1096657402 /nfs/dbraw/zinc/65/74/02/1096657402.db2.gz ICRKQZUNQLDEFW-WDEREUQCSA-N -1 3 345.359 2.644 20 5 EFBDHM C[C@H]1c2ccccc2CCN1c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001603957555 1096682920 /nfs/dbraw/zinc/68/29/20/1096682920.db2.gz WITGGDCDWNSIRW-NSHDSACASA-N -1 3 336.355 2.899 20 5 EFBDHM CCC1(C(=O)OCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCCC1 ZINC001604081744 1096724769 /nfs/dbraw/zinc/72/47/69/1096724769.db2.gz MWGHSMXJAWXVPQ-UHFFFAOYSA-N -1 3 345.359 2.789 20 5 EFBDHM CCC1(C(=O)OCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCCC1 ZINC001604081744 1096724773 /nfs/dbraw/zinc/72/47/73/1096724773.db2.gz MWGHSMXJAWXVPQ-UHFFFAOYSA-N -1 3 345.359 2.789 20 5 EFBDHM CCC1(CC)[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H]1OC ZINC001604086131 1096727879 /nfs/dbraw/zinc/72/78/79/1096727879.db2.gz PATTVQRWISRHPQ-KBPBESRZSA-N -1 3 346.391 2.781 20 5 EFBDHM CCC1(CC)[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@@H]1OC ZINC001604086131 1096727882 /nfs/dbraw/zinc/72/78/82/1096727882.db2.gz PATTVQRWISRHPQ-KBPBESRZSA-N -1 3 346.391 2.781 20 5 EFBDHM CCN(CCC(F)(F)F)Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604293755 1096798648 /nfs/dbraw/zinc/79/86/48/1096798648.db2.gz KQGGPHXKJQDGDY-UHFFFAOYSA-N -1 3 344.297 2.549 20 5 EFBDHM CCN(CCC(F)(F)F)Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604293755 1096798652 /nfs/dbraw/zinc/79/86/52/1096798652.db2.gz KQGGPHXKJQDGDY-UHFFFAOYSA-N -1 3 344.297 2.549 20 5 EFBDHM CN(C[C@@H]1CC=CCC1)c1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604728962 1096942738 /nfs/dbraw/zinc/94/27/38/1096942738.db2.gz IOHZABQHEKTICJ-SNVBAGLBSA-N -1 3 332.339 2.707 20 5 EFBDHM CN(C[C@@H]1CC=CCC1)c1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604728962 1096942741 /nfs/dbraw/zinc/94/27/41/1096942741.db2.gz IOHZABQHEKTICJ-SNVBAGLBSA-N -1 3 332.339 2.707 20 5 EFBDHM CN(CCc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC001604792225 1096956327 /nfs/dbraw/zinc/95/63/27/1096956327.db2.gz XHUQONVQUNAXBX-UHFFFAOYSA-N -1 3 342.334 2.593 20 5 EFBDHM CN(CCc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC001604792225 1096956330 /nfs/dbraw/zinc/95/63/30/1096956330.db2.gz XHUQONVQUNAXBX-UHFFFAOYSA-N -1 3 342.334 2.593 20 5 EFBDHM CN(Cc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001604809522 1096962459 /nfs/dbraw/zinc/96/24/59/1096962459.db2.gz UJKXMNNKUOQCIV-UHFFFAOYSA-N -1 3 346.297 2.690 20 5 EFBDHM CN(Cc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001604809522 1096962463 /nfs/dbraw/zinc/96/24/63/1096962463.db2.gz UJKXMNNKUOQCIV-UHFFFAOYSA-N -1 3 346.297 2.690 20 5 EFBDHM COC1CCC(CCNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC1 ZINC001605029707 1097006789 /nfs/dbraw/zinc/00/67/89/1097006789.db2.gz MYUHDIVOYOBGTG-UHFFFAOYSA-N -1 3 346.391 2.782 20 5 EFBDHM COC1CCC(CCNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CC1 ZINC001605029707 1097006791 /nfs/dbraw/zinc/00/67/91/1097006791.db2.gz MYUHDIVOYOBGTG-UHFFFAOYSA-N -1 3 346.391 2.782 20 5 EFBDHM COCC(C)(C)CCNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001605044121 1097009863 /nfs/dbraw/zinc/00/98/63/1097009863.db2.gz OFJRGKQJLKCRHH-UHFFFAOYSA-N -1 3 334.380 2.558 20 5 EFBDHM COCC(C)(C)CCNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001605044121 1097009866 /nfs/dbraw/zinc/00/98/66/1097009866.db2.gz OFJRGKQJLKCRHH-UHFFFAOYSA-N -1 3 334.380 2.558 20 5 EFBDHM CC[C@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC001605040508 1097009909 /nfs/dbraw/zinc/00/99/09/1097009909.db2.gz QOPVOKUIQIRWQQ-SNVBAGLBSA-N -1 3 335.385 2.919 20 5 EFBDHM COCC1(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCCCC1 ZINC001605068435 1097014598 /nfs/dbraw/zinc/01/45/98/1097014598.db2.gz NJXZNGOHHRUORB-UHFFFAOYSA-N -1 3 346.391 2.784 20 5 EFBDHM COCC1(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCCCC1 ZINC001605068435 1097014604 /nfs/dbraw/zinc/01/46/04/1097014604.db2.gz NJXZNGOHHRUORB-UHFFFAOYSA-N -1 3 346.391 2.784 20 5 EFBDHM COCc1cccc(Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)c1 ZINC001605133795 1097030453 /nfs/dbraw/zinc/03/04/53/1097030453.db2.gz SBBNJIYIESGLKO-UHFFFAOYSA-N -1 3 326.316 2.665 20 5 EFBDHM COc1cc(Oc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])ccc1F ZINC001605236036 1097063776 /nfs/dbraw/zinc/06/37/76/1097063776.db2.gz BIGRWTYDZGUWQN-UHFFFAOYSA-N -1 3 331.263 2.715 20 5 EFBDHM COc1cc(Oc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])ccc1F ZINC001605236036 1097063781 /nfs/dbraw/zinc/06/37/81/1097063781.db2.gz BIGRWTYDZGUWQN-UHFFFAOYSA-N -1 3 331.263 2.715 20 5 EFBDHM COc1cccc([C@H](C)Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001605312563 1097092515 /nfs/dbraw/zinc/09/25/15/1097092515.db2.gz GWHCCMOKERERCK-JTQLQIEISA-N -1 3 340.343 2.957 20 5 EFBDHM COc1cccc([C@H](C)Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001605312563 1097092523 /nfs/dbraw/zinc/09/25/23/1097092523.db2.gz GWHCCMOKERERCK-JTQLQIEISA-N -1 3 340.343 2.957 20 5 EFBDHM CSC1(CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCCCC1 ZINC001605371568 1097107396 /nfs/dbraw/zinc/10/73/96/1097107396.db2.gz MLILLIUPFHTQCB-UHFFFAOYSA-N -1 3 349.420 2.648 20 5 EFBDHM CSC1(CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCCCC1 ZINC001605371568 1097107397 /nfs/dbraw/zinc/10/73/97/1097107397.db2.gz MLILLIUPFHTQCB-UHFFFAOYSA-N -1 3 349.420 2.648 20 5 EFBDHM C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC001605405127 1097119987 /nfs/dbraw/zinc/11/99/87/1097119987.db2.gz LKUJKLOHOKMFII-MRVPVSSYSA-N -1 3 345.750 2.996 20 5 EFBDHM C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC001605405127 1097119989 /nfs/dbraw/zinc/11/99/89/1097119989.db2.gz LKUJKLOHOKMFII-MRVPVSSYSA-N -1 3 345.750 2.996 20 5 EFBDHM Cc1cc(-c2nnn[n-]2)ccc1COc1ccc([N+](=O)[O-])cc1C ZINC001605541831 1097154354 /nfs/dbraw/zinc/15/43/54/1097154354.db2.gz QGWRDVYQLJAERC-UHFFFAOYSA-N -1 3 325.328 2.971 20 5 EFBDHM Cc1cc(-c2nn[n-]n2)ccc1COc1ccc([N+](=O)[O-])cc1C ZINC001605541831 1097154357 /nfs/dbraw/zinc/15/43/57/1097154357.db2.gz QGWRDVYQLJAERC-UHFFFAOYSA-N -1 3 325.328 2.971 20 5 EFBDHM Cc1cc(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)cc(C)c1O ZINC001605662159 1097183302 /nfs/dbraw/zinc/18/33/02/1097183302.db2.gz VOQQSQYXNKVMFH-UHFFFAOYSA-N -1 3 340.343 2.709 20 5 EFBDHM Cc1cc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)ccc1Cl ZINC001605662037 1097183346 /nfs/dbraw/zinc/18/33/46/1097183346.db2.gz QRJHGVKPFATNTD-UHFFFAOYSA-N -1 3 345.750 2.744 20 5 EFBDHM Cc1cc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)ccc1Cl ZINC001605662037 1097183350 /nfs/dbraw/zinc/18/33/50/1097183350.db2.gz QRJHGVKPFATNTD-UHFFFAOYSA-N -1 3 345.750 2.744 20 5 EFBDHM Cc1cc(N[C@@H](C)c2ccccn2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605717625 1097206964 /nfs/dbraw/zinc/20/69/64/1097206964.db2.gz LSGNALSFBPXSLO-JTQLQIEISA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1cc(N[C@@H](C)c2ccccn2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605717625 1097206969 /nfs/dbraw/zinc/20/69/69/1097206969.db2.gz LSGNALSFBPXSLO-JTQLQIEISA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1cc(NCC(C)(C)[C@H](O)C(C)C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605724072 1097207873 /nfs/dbraw/zinc/20/78/73/1097207873.db2.gz SAQKZIXPMLODHA-CQSZACIVSA-N -1 3 348.407 2.538 20 5 EFBDHM Cc1cc(NCC(C)(C)[C@H](O)C(C)C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605724072 1097207876 /nfs/dbraw/zinc/20/78/76/1097207876.db2.gz SAQKZIXPMLODHA-CQSZACIVSA-N -1 3 348.407 2.538 20 5 EFBDHM Cc1cc(NCC[C@@H]2CCO[C@H](C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605731261 1097209411 /nfs/dbraw/zinc/20/94/11/1097209411.db2.gz UJRBCVKTJCPNEU-VXGBXAGGSA-N -1 3 346.391 2.700 20 5 EFBDHM Cc1cc(NCC[C@@H]2CCO[C@H](C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605731261 1097209415 /nfs/dbraw/zinc/20/94/15/1097209415.db2.gz UJRBCVKTJCPNEU-VXGBXAGGSA-N -1 3 346.391 2.700 20 5 EFBDHM Cc1cc(NCC[C@H]2CCO[C@@H](C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605731260 1097209966 /nfs/dbraw/zinc/20/99/66/1097209966.db2.gz UJRBCVKTJCPNEU-RYUDHWBXSA-N -1 3 346.391 2.700 20 5 EFBDHM Cc1cc(NCC[C@H]2CCO[C@@H](C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605731260 1097209971 /nfs/dbraw/zinc/20/99/71/1097209971.db2.gz UJRBCVKTJCPNEU-RYUDHWBXSA-N -1 3 346.391 2.700 20 5 EFBDHM Cc1cc(OCc2c(F)cc([N+](=O)[O-])cc2F)ccc1-c1nn[n-]n1 ZINC001605747666 1097215596 /nfs/dbraw/zinc/21/55/96/1097215596.db2.gz SBHRQBJLKFXXPF-UHFFFAOYSA-N -1 3 347.281 2.941 20 5 EFBDHM Cc1ccc([C@H](C)Nc2ncc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC001605827821 1097241084 /nfs/dbraw/zinc/24/10/84/1097241084.db2.gz BFXHVEPCFHSCRY-VIFPVBQESA-N -1 3 343.322 2.791 20 5 EFBDHM Cc1ccc([C@H](C)Nc2ncc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC001605827821 1097241089 /nfs/dbraw/zinc/24/10/89/1097241089.db2.gz BFXHVEPCFHSCRY-VIFPVBQESA-N -1 3 343.322 2.791 20 5 EFBDHM Cc1ccc([C@@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)s1 ZINC001605828662 1097241563 /nfs/dbraw/zinc/24/15/63/1097241563.db2.gz XHQXQONTDRWUTO-MRVPVSSYSA-N -1 3 331.361 2.713 20 5 EFBDHM Cc1ccc([C@@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)s1 ZINC001605828662 1097241564 /nfs/dbraw/zinc/24/15/64/1097241564.db2.gz XHQXQONTDRWUTO-MRVPVSSYSA-N -1 3 331.361 2.713 20 5 EFBDHM Cc1ccc(C[C@H](C)Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])s1 ZINC001605842751 1097247572 /nfs/dbraw/zinc/24/75/72/1097247572.db2.gz ZHGOPNMJKBDNRC-QMMMGPOBSA-N -1 3 345.388 2.583 20 5 EFBDHM Cc1ccc(C[C@H](C)Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])s1 ZINC001605842751 1097247578 /nfs/dbraw/zinc/24/75/78/1097247578.db2.gz ZHGOPNMJKBDNRC-QMMMGPOBSA-N -1 3 345.388 2.583 20 5 EFBDHM Cc1cccnc1[C@@H](C)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001605946662 1097284482 /nfs/dbraw/zinc/28/44/82/1097284482.db2.gz YYPZWRCTPZLWAQ-SNVBAGLBSA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1cccnc1[C@@H](C)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001605946662 1097284487 /nfs/dbraw/zinc/28/44/87/1097284487.db2.gz YYPZWRCTPZLWAQ-SNVBAGLBSA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1csc([C@H](C)CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)n1 ZINC001606001821 1097294498 /nfs/dbraw/zinc/29/44/98/1097294498.db2.gz XBYKEYQZXBPMLZ-MRVPVSSYSA-N -1 3 345.388 2.755 20 5 EFBDHM Cc1nc(CCNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])sc1C ZINC001606041954 1097304885 /nfs/dbraw/zinc/30/48/85/1097304885.db2.gz BFYWLNPIYBVOLU-UHFFFAOYSA-N -1 3 345.388 2.503 20 5 EFBDHM Cc1nc(CCNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])sc1C ZINC001606041954 1097304892 /nfs/dbraw/zinc/30/48/92/1097304892.db2.gz BFYWLNPIYBVOLU-UHFFFAOYSA-N -1 3 345.388 2.503 20 5 EFBDHM Cc1noc(CSCCc2ccc(-c3nnn[n-]3)cc2)c1[N+](=O)[O-] ZINC001606133587 1097325320 /nfs/dbraw/zinc/32/53/20/1097325320.db2.gz KGHCTQTYMQZRSO-UHFFFAOYSA-N -1 3 346.372 2.547 20 5 EFBDHM Cc1noc(CSCCc2ccc(-c3nn[n-]n3)cc2)c1[N+](=O)[O-] ZINC001606133587 1097325325 /nfs/dbraw/zinc/32/53/25/1097325325.db2.gz KGHCTQTYMQZRSO-UHFFFAOYSA-N -1 3 346.372 2.547 20 5 EFBDHM O=C(/C=C/C1CCCC1)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001606480441 1097405339 /nfs/dbraw/zinc/40/53/39/1097405339.db2.gz NDDPLOOHNWQKIX-CMDGGOBGSA-N -1 3 343.343 2.565 20 5 EFBDHM O=C(/C=C/C1CCCC1)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001606480441 1097405340 /nfs/dbraw/zinc/40/53/40/1097405340.db2.gz NDDPLOOHNWQKIX-CMDGGOBGSA-N -1 3 343.343 2.565 20 5 EFBDHM COCCN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@H]1CC[C@@H](C)C1 ZINC001606890275 1097465864 /nfs/dbraw/zinc/46/58/64/1097465864.db2.gz YTZRVEGXNJDDNJ-DOMZBBRYSA-N -1 3 336.388 2.930 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H](c1ccccn1)C1CC1 ZINC001607078687 1097506301 /nfs/dbraw/zinc/50/63/01/1097506301.db2.gz CBFPOGYONPWNBO-OAHLLOKOSA-N -1 3 337.343 2.733 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H](c1ccccn1)C1CC1 ZINC001607078687 1097506308 /nfs/dbraw/zinc/50/63/08/1097506308.db2.gz CBFPOGYONPWNBO-OAHLLOKOSA-N -1 3 337.343 2.733 20 5 EFBDHM O=[N+]([O-])c1cc(NCCC[C@@H]2CCCC[C@@H]2O)ccc1-c1nnn[n-]1 ZINC001607078862 1097506778 /nfs/dbraw/zinc/50/67/78/1097506778.db2.gz ATPAMXIVMXBNPU-NHYWBVRUSA-N -1 3 346.391 2.518 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCc2ccc(F)cc21 ZINC001607080079 1097506819 /nfs/dbraw/zinc/50/68/19/1097506819.db2.gz PLZZPQWLZFLHEF-UHFFFAOYSA-N -1 3 326.291 2.608 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCc2ccc(F)cc21 ZINC001607080079 1097506824 /nfs/dbraw/zinc/50/68/24/1097506824.db2.gz PLZZPQWLZFLHEF-UHFFFAOYSA-N -1 3 326.291 2.608 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCc1cc2ccccc2[nH]1 ZINC001607079469 1097507363 /nfs/dbraw/zinc/50/73/63/1097507363.db2.gz LEZPBMWIFIDDJF-UHFFFAOYSA-N -1 3 335.327 2.868 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCc1cc2ccccc2[nH]1 ZINC001607079469 1097507367 /nfs/dbraw/zinc/50/73/67/1097507367.db2.gz LEZPBMWIFIDDJF-UHFFFAOYSA-N -1 3 335.327 2.868 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H](CO)CC1CCCCC1 ZINC001607080631 1097508098 /nfs/dbraw/zinc/50/80/98/1097508098.db2.gz VUCMZHVSLREBFD-ZDUSSCGKSA-N -1 3 346.391 2.518 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H](CO)CC1CCCCC1 ZINC001607080631 1097508104 /nfs/dbraw/zinc/50/81/04/1097508104.db2.gz VUCMZHVSLREBFD-ZDUSSCGKSA-N -1 3 346.391 2.518 20 5 EFBDHM O=[N+]([O-])c1ccc(NC2C[C@H]3CC[C@@H](C2)S3)c(-c2nnn[n-]2)c1 ZINC001607081781 1097508834 /nfs/dbraw/zinc/50/88/34/1097508834.db2.gz GZMZOFYCZBXZDT-UQPYNNQESA-N -1 3 332.389 2.613 20 5 EFBDHM O=[N+]([O-])c1ccc(NC2C[C@H]3CC[C@@H](C2)S3)c(-c2nn[n-]n2)c1 ZINC001607081781 1097508838 /nfs/dbraw/zinc/50/88/38/1097508838.db2.gz GZMZOFYCZBXZDT-UQPYNNQESA-N -1 3 332.389 2.613 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCc1cccc2cc[nH]c21 ZINC001607082440 1097508986 /nfs/dbraw/zinc/50/89/86/1097508986.db2.gz PVKHCMVELRQCQA-UHFFFAOYSA-N -1 3 335.327 2.868 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCc1cccc2cc[nH]c21 ZINC001607082440 1097508991 /nfs/dbraw/zinc/50/89/91/1097508991.db2.gz PVKHCMVELRQCQA-UHFFFAOYSA-N -1 3 335.327 2.868 20 5 EFBDHM O=[N+]([O-])c1ccc(Oc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC001607081655 1097509093 /nfs/dbraw/zinc/50/90/93/1097509093.db2.gz GPQPVWSEEOBYGW-UHFFFAOYSA-N -1 3 346.234 2.615 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CC[C@H](CC(F)(F)F)C1 ZINC001607083416 1097509581 /nfs/dbraw/zinc/50/95/81/1097509581.db2.gz FPBZGJNXLUWBHA-MRVPVSSYSA-N -1 3 342.281 2.554 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CC[C@H](CC(F)(F)F)C1 ZINC001607083416 1097509587 /nfs/dbraw/zinc/50/95/87/1097509587.db2.gz FPBZGJNXLUWBHA-MRVPVSSYSA-N -1 3 342.281 2.554 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CC2(CC2)c2ccccc21 ZINC001607084150 1097510141 /nfs/dbraw/zinc/51/01/41/1097510141.db2.gz TVTADACVRWPGHG-UHFFFAOYSA-N -1 3 334.339 2.958 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CC2(CC2)c2ccccc21 ZINC001607084150 1097510147 /nfs/dbraw/zinc/51/01/47/1097510147.db2.gz TVTADACVRWPGHG-UHFFFAOYSA-N -1 3 334.339 2.958 20 5 EFBDHM O=[N+]([O-])c1ccc(SCCc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC001607084106 1097510551 /nfs/dbraw/zinc/51/05/51/1097510551.db2.gz YEVFVKOGPBYYLT-UHFFFAOYSA-N -1 3 328.357 2.505 20 5 EFBDHM COc1cc(CN(C)[C@@H](CC(C)C)C(=O)[O-])c([N+](=O)[O-])cc1F ZINC001607156936 1097546240 /nfs/dbraw/zinc/54/62/40/1097546240.db2.gz YGOAXADFMFHWIT-ZDUSSCGKSA-N -1 3 328.340 2.674 20 5 EFBDHM COc1cc(CN2CCCCC[C@H]2C(=O)[O-])c([N+](=O)[O-])cc1F ZINC001607157357 1097546996 /nfs/dbraw/zinc/54/69/96/1097546996.db2.gz FSNIBIFGDKCQNT-LBPRGKRZSA-N -1 3 326.324 2.572 20 5 EFBDHM COc1cccc([C@H](NCc2cccc([N+](=O)[O-])c2C)C(=O)[O-])c1 ZINC001607313213 1097595773 /nfs/dbraw/zinc/59/57/73/1097595773.db2.gz NKZUZEZCVFOUKR-INIZCTEOSA-N -1 3 330.340 2.827 20 5 EFBDHM Cc1c(C(=O)[O-])cc(CN(C)CCc2ccccc2[N+](=O)[O-])n1C ZINC001607511183 1097646789 /nfs/dbraw/zinc/64/67/89/1097646789.db2.gz MZYOZXWWFLGDRK-UHFFFAOYSA-N -1 3 331.372 2.614 20 5 EFBDHM CC(C)C(C)(C)C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609086348 1098138768 /nfs/dbraw/zinc/13/87/68/1098138768.db2.gz ARYQOHWARCKFIW-UHFFFAOYSA-N -1 3 333.348 2.500 20 5 EFBDHM CC(C)C(C)(C)C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609086348 1098138771 /nfs/dbraw/zinc/13/87/71/1098138771.db2.gz ARYQOHWARCKFIW-UHFFFAOYSA-N -1 3 333.348 2.500 20 5 EFBDHM CC(C)[C@]1(C)C[C@H]1C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609090425 1098139557 /nfs/dbraw/zinc/13/95/57/1098139557.db2.gz UHBFQVIDUPIZMD-LRDDRELGSA-N -1 3 345.359 2.500 20 5 EFBDHM CC(C)[C@]1(C)C[C@H]1C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609090425 1098139560 /nfs/dbraw/zinc/13/95/60/1098139560.db2.gz UHBFQVIDUPIZMD-LRDDRELGSA-N -1 3 345.359 2.500 20 5 EFBDHM CC(C)[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CCO1 ZINC001609092052 1098139657 /nfs/dbraw/zinc/13/96/57/1098139657.db2.gz YTSPBVHBNPRDOJ-IAQYHMDHSA-N -1 3 346.391 2.638 20 5 EFBDHM C[C@@H](CCc1ccco1)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609112231 1098152396 /nfs/dbraw/zinc/15/23/96/1098152396.db2.gz YKLSFJNJWAMBAQ-JTQLQIEISA-N -1 3 328.332 2.801 20 5 EFBDHM CC1(CC(F)(F)F)CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001609149040 1098170180 /nfs/dbraw/zinc/17/01/80/1098170180.db2.gz WYQWHQBWSNSIRW-UHFFFAOYSA-N -1 3 342.281 2.554 20 5 EFBDHM CC1(CC(F)(F)F)CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001609149040 1098170184 /nfs/dbraw/zinc/17/01/84/1098170184.db2.gz WYQWHQBWSNSIRW-UHFFFAOYSA-N -1 3 342.281 2.554 20 5 EFBDHM C[C@@H]1CC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)c([N+](=O)[O-])c3)C2)C1 ZINC001609162957 1098176845 /nfs/dbraw/zinc/17/68/45/1098176845.db2.gz ONQDIBOPERCQQF-BDJLRTHQSA-N -1 3 328.376 2.791 20 5 EFBDHM CC[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)CC(F)(F)F ZINC001609190480 1098189500 /nfs/dbraw/zinc/18/95/00/1098189500.db2.gz LXYVWOQBRZWZTF-SSDOTTSWSA-N -1 3 345.285 2.560 20 5 EFBDHM CC[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)CC(F)(F)F ZINC001609190480 1098189504 /nfs/dbraw/zinc/18/95/04/1098189504.db2.gz LXYVWOQBRZWZTF-SSDOTTSWSA-N -1 3 345.285 2.560 20 5 EFBDHM CCCC(O)(CCC)CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609205916 1098199491 /nfs/dbraw/zinc/19/94/91/1098199491.db2.gz CSIWLHUWDGXSND-UHFFFAOYSA-N -1 3 334.380 2.518 20 5 EFBDHM CCCC(O)(CCC)CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609205916 1098199494 /nfs/dbraw/zinc/19/94/94/1098199494.db2.gz CSIWLHUWDGXSND-UHFFFAOYSA-N -1 3 334.380 2.518 20 5 EFBDHM CCN(CCc1ccccc1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609224972 1098213368 /nfs/dbraw/zinc/21/33/68/1098213368.db2.gz MDGGXEPIEUGRED-UHFFFAOYSA-N -1 3 338.371 2.844 20 5 EFBDHM CCN(CCc1ccccc1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609224972 1098213370 /nfs/dbraw/zinc/21/33/70/1098213370.db2.gz MDGGXEPIEUGRED-UHFFFAOYSA-N -1 3 338.371 2.844 20 5 EFBDHM CCO[C@@H](CCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)C(C)C ZINC001609236913 1098215387 /nfs/dbraw/zinc/21/53/87/1098215387.db2.gz LZMIXWXJFJQUGQ-AWEZNQCLSA-N -1 3 334.380 2.638 20 5 EFBDHM CCO[C@H]1C[C@@H](Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C12CCC2 ZINC001609238372 1098216872 /nfs/dbraw/zinc/21/68/72/1098216872.db2.gz KBJAHRMKIBUNNP-OLZOCXBDSA-N -1 3 344.375 2.535 20 5 EFBDHM CCO[C@H]1C[C@@H](Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C12CCC2 ZINC001609238372 1098216875 /nfs/dbraw/zinc/21/68/75/1098216875.db2.gz KBJAHRMKIBUNNP-OLZOCXBDSA-N -1 3 344.375 2.535 20 5 EFBDHM CCS[C@H]1CCCCN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001609248721 1098220926 /nfs/dbraw/zinc/22/09/26/1098220926.db2.gz QSQRQVGVWZBRMM-NSHDSACASA-N -1 3 348.432 2.887 20 5 EFBDHM CCS[C@H]1CCCCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001609248721 1098220931 /nfs/dbraw/zinc/22/09/31/1098220931.db2.gz QSQRQVGVWZBRMM-NSHDSACASA-N -1 3 348.432 2.887 20 5 EFBDHM Cc1c(NCc2c(F)cc([N+](=O)[O-])cc2F)cccc1-c1nnn[n-]1 ZINC001609385654 1098278514 /nfs/dbraw/zinc/27/85/14/1098278514.db2.gz PKIBMHQVYWWZMW-UHFFFAOYSA-N -1 3 346.297 2.974 20 5 EFBDHM Cc1c(NCc2c(F)cc([N+](=O)[O-])cc2F)cccc1-c1nn[n-]n1 ZINC001609385654 1098278520 /nfs/dbraw/zinc/27/85/20/1098278520.db2.gz PKIBMHQVYWWZMW-UHFFFAOYSA-N -1 3 346.297 2.974 20 5 EFBDHM Cc1cc(-c2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc([N+](=O)[O-])c1 ZINC001609386915 1098280037 /nfs/dbraw/zinc/28/00/37/1098280037.db2.gz ZUGNHWORFYTDNP-UHFFFAOYSA-N -1 3 349.310 2.800 20 5 EFBDHM Cc1cc(-c2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc([N+](=O)[O-])c1 ZINC001609386915 1098280040 /nfs/dbraw/zinc/28/00/40/1098280040.db2.gz ZUGNHWORFYTDNP-UHFFFAOYSA-N -1 3 349.310 2.800 20 5 EFBDHM Cc1cc(OCc2ccc(F)c(-c3nnn[n-]3)c2)c(F)cc1[N+](=O)[O-] ZINC001609411638 1098298970 /nfs/dbraw/zinc/29/89/70/1098298970.db2.gz SXORYVLSXKXTNP-UHFFFAOYSA-N -1 3 347.281 2.941 20 5 EFBDHM Cc1cc(OCc2ccc(F)c(-c3nn[n-]n3)c2)c(F)cc1[N+](=O)[O-] ZINC001609411638 1098298974 /nfs/dbraw/zinc/29/89/74/1098298974.db2.gz SXORYVLSXKXTNP-UHFFFAOYSA-N -1 3 347.281 2.941 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001609428308 1098313262 /nfs/dbraw/zinc/31/32/62/1098313262.db2.gz UUBATXGPJVYSFJ-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001609428308 1098313269 /nfs/dbraw/zinc/31/32/69/1098313269.db2.gz UUBATXGPJVYSFJ-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM Cc1cccc(OCc2ccc(-c3nnn[n-]3)c(F)c2)c1[N+](=O)[O-] ZINC001609433487 1098317141 /nfs/dbraw/zinc/31/71/41/1098317141.db2.gz HIERHWJHVCCGFY-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1cccc(OCc2ccc(-c3nn[n-]n3)c(F)c2)c1[N+](=O)[O-] ZINC001609433487 1098317149 /nfs/dbraw/zinc/31/71/49/1098317149.db2.gz HIERHWJHVCCGFY-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1csc(NC(=O)c2cccc([N+](=O)[O-])c2C)c1-c1nnn[n-]1 ZINC001609443861 1098326092 /nfs/dbraw/zinc/32/60/92/1098326092.db2.gz YCQSYFLUDQZYDW-UHFFFAOYSA-N -1 3 344.356 2.706 20 5 EFBDHM Cc1csc(NC(=O)c2cccc([N+](=O)[O-])c2C)c1-c1nn[n-]n1 ZINC001609443861 1098326100 /nfs/dbraw/zinc/32/61/00/1098326100.db2.gz YCQSYFLUDQZYDW-UHFFFAOYSA-N -1 3 344.356 2.706 20 5 EFBDHM Cc1sc(NC(=O)c2cccc([N+](=O)[O-])c2)c(-c2nnn[n-]2)c1C ZINC001609471714 1098342700 /nfs/dbraw/zinc/34/27/00/1098342700.db2.gz PKUNZPRPFBZGKS-UHFFFAOYSA-N -1 3 344.356 2.706 20 5 EFBDHM Cc1sc(NC(=O)c2cccc([N+](=O)[O-])c2)c(-c2nn[n-]n2)c1C ZINC001609471714 1098342703 /nfs/dbraw/zinc/34/27/03/1098342703.db2.gz PKUNZPRPFBZGKS-UHFFFAOYSA-N -1 3 344.356 2.706 20 5 EFBDHM O=C(CC1CCCCC1)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609520316 1098367736 /nfs/dbraw/zinc/36/77/36/1098367736.db2.gz MTHIAOHRPAUNGX-UHFFFAOYSA-N -1 3 345.359 2.789 20 5 EFBDHM O=C(CC1CCCCC1)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609520316 1098367742 /nfs/dbraw/zinc/36/77/42/1098367742.db2.gz MTHIAOHRPAUNGX-UHFFFAOYSA-N -1 3 345.359 2.789 20 5 EFBDHM O=[N+]([O-])c1ccc(OCc2cc(-c3nnn[n-]3)ccc2F)c(F)c1 ZINC001609602481 1098395639 /nfs/dbraw/zinc/39/56/39/1098395639.db2.gz OSQGGGUMNPUNRU-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1ccc(OCc2cc(-c3nn[n-]n3)ccc2F)c(F)c1 ZINC001609602481 1098395643 /nfs/dbraw/zinc/39/56/43/1098395643.db2.gz OSQGGGUMNPUNRU-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)nc1 ZINC001609602076 1098396447 /nfs/dbraw/zinc/39/64/47/1098396447.db2.gz MWWZINGUMGFXRN-CQSZACIVSA-N -1 3 337.343 2.659 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)nc1 ZINC001609602076 1098396453 /nfs/dbraw/zinc/39/64/53/1098396453.db2.gz MWWZINGUMGFXRN-CQSZACIVSA-N -1 3 337.343 2.659 20 5 EFBDHM O=C([O-])[C@H]1CCC[C@H]1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001610743377 1098861099 /nfs/dbraw/zinc/86/10/99/1098861099.db2.gz USMLXPBDHQMCAU-UONOGXRCSA-N -1 3 331.328 2.593 20 5 EFBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[C@@H](C[C@@H]3CCOC3)C2)c1 ZINC001610842413 1098929036 /nfs/dbraw/zinc/92/90/36/1098929036.db2.gz WQRJYNFJVNOARG-KBPBESRZSA-N -1 3 348.399 2.932 20 5 EFBDHM CN(CCN(C)c1ccc(F)cc1[N+](=O)[O-])C(=O)c1ccccc1[O-] ZINC001105331177 1099080862 /nfs/dbraw/zinc/08/08/62/1099080862.db2.gz SELMCVTZBFHWRD-UHFFFAOYSA-N -1 3 347.346 2.648 20 5 EFBDHM CC(C)=CC(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC1 ZINC001104361257 1102187628 /nfs/dbraw/zinc/18/76/28/1102187628.db2.gz XWFYUDIELUHCMJ-UHFFFAOYSA-N -1 3 334.376 2.503 20 5 EFBDHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000094036983 1107382824 /nfs/dbraw/zinc/38/28/24/1107382824.db2.gz IQKTVARBTSHUHD-UHFFFAOYSA-N -1 3 343.265 2.909 20 5 EFBDHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000094036983 1107382839 /nfs/dbraw/zinc/38/28/39/1107382839.db2.gz IQKTVARBTSHUHD-UHFFFAOYSA-N -1 3 343.265 2.909 20 5 EFBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)c1ccccc1C ZINC001106663770 1111709659 /nfs/dbraw/zinc/70/96/59/1111709659.db2.gz KBTPDNCPOXXINC-UHFFFAOYSA-N -1 3 344.371 2.578 20 5 EFBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)CC(C)(C)CC ZINC001106850551 1111911210 /nfs/dbraw/zinc/91/12/10/1111911210.db2.gz DQHJZONRVDRUCY-UHFFFAOYSA-N -1 3 338.408 2.782 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC1(c2ccccc2)CC1 ZINC000056004738 214352313 /nfs/dbraw/zinc/35/23/13/214352313.db2.gz JCXNDDHPIVBMHF-UHFFFAOYSA-N -1 3 346.408 2.913 20 5 EFBDHM O=C(c1ccccc1[O-])N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174810235 231316188 /nfs/dbraw/zinc/31/61/88/231316188.db2.gz KZNPXSKJTLIGKO-UHFFFAOYSA-N -1 3 342.351 2.984 20 5 EFBDHM Cc1noc(C)c1C(=O)[N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000010965044 282379302 /nfs/dbraw/zinc/37/93/02/282379302.db2.gz OYXRRJABRIHRDM-UHFFFAOYSA-N -1 3 333.300 2.613 20 5 EFBDHM CC(=O)Nc1cc(F)c(F)cc1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC000069453343 215423858 /nfs/dbraw/zinc/42/38/58/215423858.db2.gz HZFVUCXWTIDPJA-UHFFFAOYSA-N -1 3 325.227 2.677 20 5 EFBDHM Cc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(CN(C)C)c1 ZINC000073314455 216377114 /nfs/dbraw/zinc/37/71/14/216377114.db2.gz WGYSNDSXTAKJSW-UHFFFAOYSA-N -1 3 349.412 2.766 20 5 EFBDHM CC(C)OCc1cccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000193464860 240107582 /nfs/dbraw/zinc/10/75/82/240107582.db2.gz QYQDOUSYTZSIJV-UHFFFAOYSA-N -1 3 331.328 2.873 20 5 EFBDHM Cc1cc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1CN(C)C ZINC000414463007 244175477 /nfs/dbraw/zinc/17/54/77/244175477.db2.gz IVRDOUJGGAGCLF-UHFFFAOYSA-N -1 3 349.412 2.766 20 5 EFBDHM CO[C@@H](C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(C)(C)C ZINC000080616198 217318834 /nfs/dbraw/zinc/31/88/34/217318834.db2.gz UVSAMAMZQRRKJX-AWEZNQCLSA-N -1 3 344.433 2.551 20 5 EFBDHM COC(=O)c1ccsc1[N-]C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000435542119 249373047 /nfs/dbraw/zinc/37/30/47/249373047.db2.gz AUMUSLDOUSPKBO-UHFFFAOYSA-N -1 3 336.325 2.704 20 5 EFBDHM COc1cc(C(=O)[N-]c2ncc(C)o2)c([N+](=O)[O-])cc1OC(F)F ZINC000443929651 250237639 /nfs/dbraw/zinc/23/76/39/250237639.db2.gz PSSODNYWONVXAI-UHFFFAOYSA-N -1 3 343.242 2.754 20 5 EFBDHM CCc1ccc(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c([O-])c1 ZINC000444628409 250319409 /nfs/dbraw/zinc/31/94/09/250319409.db2.gz DCXDRQRALVETHN-UHFFFAOYSA-N -1 3 340.339 2.669 20 5 EFBDHM CC[C@H](C)n1ncc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1C1CC1 ZINC000445131832 250386779 /nfs/dbraw/zinc/38/67/79/250386779.db2.gz DKUGLMCHSPXOKQ-VIFPVBQESA-N -1 3 345.359 2.993 20 5 EFBDHM CC[C@@H](C)n1ncc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1C1CC1 ZINC000445131831 250387708 /nfs/dbraw/zinc/38/77/08/250387708.db2.gz DKUGLMCHSPXOKQ-SECBINFHSA-N -1 3 345.359 2.993 20 5 EFBDHM CC(C)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000445704410 250419616 /nfs/dbraw/zinc/41/96/16/250419616.db2.gz IRCMMQZDGLTFTA-LLVKDONJSA-N -1 3 340.323 2.850 20 5 EFBDHM Cc1ccccc1CC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000354112910 146635892 /nfs/dbraw/zinc/63/58/92/146635892.db2.gz NYBJDSWITGWCIZ-UHFFFAOYSA-N -1 3 336.351 2.896 20 5 EFBDHM O=C([N-]c1nncn1-c1ccccc1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344668155 142058455 /nfs/dbraw/zinc/05/84/55/142058455.db2.gz QTSMRQOLNMBROA-UHFFFAOYSA-N -1 3 327.275 2.567 20 5 EFBDHM Cc1ccc([O-])c(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)n1 ZINC000345979100 142127532 /nfs/dbraw/zinc/12/75/32/142127532.db2.gz IPZSXLYQRMXTIO-UHFFFAOYSA-N -1 3 326.312 2.597 20 5 EFBDHM O=C(Nc1ccc(OC(F)F)cn1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000347634184 142248549 /nfs/dbraw/zinc/24/85/49/142248549.db2.gz VFWFLEJTGNSTTO-UHFFFAOYSA-N -1 3 349.253 2.720 20 5 EFBDHM COCc1nc(C)c(C(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)s1 ZINC000347977943 142302977 /nfs/dbraw/zinc/30/29/77/142302977.db2.gz XOKAZBGJYWXTLD-UHFFFAOYSA-N -1 3 325.321 2.898 20 5 EFBDHM CC(C)([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccs1 ZINC000342107429 145063248 /nfs/dbraw/zinc/06/32/48/145063248.db2.gz SDKKKTHGVXRPHE-UHFFFAOYSA-N -1 3 326.399 2.870 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-]C/C=C\c2ccccc2)cc1[N+](=O)[O-] ZINC000342501737 145139302 /nfs/dbraw/zinc/13/93/02/145139302.db2.gz QCPSHFMJZYVJJY-YVMONPNESA-N -1 3 338.410 2.956 20 5 EFBDHM C[C@@H](CN(C)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1nnn[n-]1 ZINC000342837466 145205283 /nfs/dbraw/zinc/20/52/83/145205283.db2.gz DKAGZISVEGJTRY-LURJTMIESA-N -1 3 331.163 2.655 20 5 EFBDHM C[C@@H](CN(C)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1nn[n-]n1 ZINC000342837466 145205285 /nfs/dbraw/zinc/20/52/85/145205285.db2.gz DKAGZISVEGJTRY-LURJTMIESA-N -1 3 331.163 2.655 20 5 EFBDHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342873507 145212942 /nfs/dbraw/zinc/21/29/42/145212942.db2.gz UZOJPSJRCRFTGM-UHFFFAOYSA-N -1 3 349.310 2.509 20 5 EFBDHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342873507 145212944 /nfs/dbraw/zinc/21/29/44/145212944.db2.gz UZOJPSJRCRFTGM-UHFFFAOYSA-N -1 3 349.310 2.509 20 5 EFBDHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342873507 145212946 /nfs/dbraw/zinc/21/29/46/145212946.db2.gz UZOJPSJRCRFTGM-UHFFFAOYSA-N -1 3 349.310 2.509 20 5 EFBDHM NC(=O)CSc1ccccc1[N-]C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344209612 145393799 /nfs/dbraw/zinc/39/37/99/145393799.db2.gz BLJVWFLXHQZRGC-UHFFFAOYSA-N -1 3 349.343 2.564 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000352127053 146295965 /nfs/dbraw/zinc/29/59/65/146295965.db2.gz HWRBVQVXDKRCOZ-IJLUTSLNSA-N -1 3 342.417 2.706 20 5 EFBDHM COc1cccc(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])c1[O-] ZINC000352878536 146339005 /nfs/dbraw/zinc/33/90/05/146339005.db2.gz KCNAWFPJJBYPAN-UHFFFAOYSA-N -1 3 348.311 2.579 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC23CCCCC3)c(F)c1 ZINC000356136569 147157175 /nfs/dbraw/zinc/15/71/75/147157175.db2.gz YOJMNGSIGYUOHP-ZDUSSCGKSA-N -1 3 328.365 2.735 20 5 EFBDHM COc1ccc(NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)c([O-])c1 ZINC000359840024 148203862 /nfs/dbraw/zinc/20/38/62/148203862.db2.gz HTLGASUXPRBBBI-UHFFFAOYSA-N -1 3 332.312 2.878 20 5 EFBDHM COc1ccc([N-]C(=O)c2cc(-c3ccncc3)on2)cc1[N+](=O)[O-] ZINC000359960557 148235595 /nfs/dbraw/zinc/23/55/95/148235595.db2.gz RKJJXUKTBPBKLG-UHFFFAOYSA-N -1 3 340.295 2.906 20 5 EFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C)CC(F)(F)F)c1[N+](=O)[O-] ZINC000359986375 148242909 /nfs/dbraw/zinc/24/29/09/148242909.db2.gz KCYXFJZFPTZJSQ-SECBINFHSA-N -1 3 340.323 2.831 20 5 EFBDHM COc1ccc([N-]C(=O)c2cc(-c3ccccn3)no2)cc1[N+](=O)[O-] ZINC000360010659 148249862 /nfs/dbraw/zinc/24/98/62/148249862.db2.gz OQEVTYQAEZODPO-UHFFFAOYSA-N -1 3 340.295 2.906 20 5 EFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C)Cc2ccncc2)c1[N+](=O)[O-] ZINC000360023625 148252355 /nfs/dbraw/zinc/25/23/55/148252355.db2.gz KZUPGTRDEGUPFO-ZDUSSCGKSA-N -1 3 349.412 2.516 20 5 EFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H](C)C(F)(F)F)c1[N+](=O)[O-] ZINC000360024794 148252743 /nfs/dbraw/zinc/25/27/43/148252743.db2.gz QFHADBSANRLJBV-SECBINFHSA-N -1 3 340.323 2.688 20 5 EFBDHM O=C([N-]c1n[nH]c(-c2ccncc2)n1)c1ccc([N+](=O)[O-])cc1Cl ZINC000360159727 148287386 /nfs/dbraw/zinc/28/73/86/148287386.db2.gz UTLLIBULDFGJBR-UHFFFAOYSA-N -1 3 344.718 2.681 20 5 EFBDHM CCS[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000360467090 148369028 /nfs/dbraw/zinc/36/90/28/148369028.db2.gz CRPZCXZMEJYGAB-DGCLKSJQSA-N -1 3 344.458 2.856 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2c3ccccc3O[C@H]2C)c([N+](=O)[O-])c1 ZINC000341896927 292184255 /nfs/dbraw/zinc/18/42/55/292184255.db2.gz LACUFOIKGRDWAH-ZBEGNZNMSA-N -1 3 348.380 2.704 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C)CC2)c([N+](=O)[O-])c1 ZINC000442782066 286351483 /nfs/dbraw/zinc/35/14/83/286351483.db2.gz PGHXYPOZMMSORY-VXGBXAGGSA-N -1 3 342.417 2.851 20 5 EFBDHM C[C@H](Cc1ccccc1F)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000053671341 292646622 /nfs/dbraw/zinc/64/66/22/292646622.db2.gz RZCVGBRSRXFDNW-LLVKDONJSA-N -1 3 338.360 2.643 20 5 EFBDHM Cc1nnsc1C(=O)[N-]c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000191371901 265262520 /nfs/dbraw/zinc/26/25/20/265262520.db2.gz LLJNQLADGVRYTO-UHFFFAOYSA-N -1 3 330.272 2.608 20 5 EFBDHM C[C@@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)N(C)Cc1ccccc1 ZINC000272491430 266282331 /nfs/dbraw/zinc/28/23/31/266282331.db2.gz HGTQSZQOTPEPJX-ZDUSSCGKSA-N -1 3 343.383 2.551 20 5 EFBDHM Cc1cccc(N2CCN(C(=O)c3cccc([O-])c3)CC2)c1[N+](=O)[O-] ZINC000275412104 266802049 /nfs/dbraw/zinc/80/20/49/266802049.db2.gz GMQWKJJMRJFGDU-UHFFFAOYSA-N -1 3 341.367 2.571 20 5 EFBDHM CC[C@](C)(CNCc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)[O-] ZINC000277977003 267313244 /nfs/dbraw/zinc/31/32/44/267313244.db2.gz MBPWROCWGWQDAN-CQSZACIVSA-N -1 3 332.303 2.787 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCc2c1cccc2O ZINC000269762797 273090326 /nfs/dbraw/zinc/09/03/26/273090326.db2.gz DJAQYWOJTIPWFM-CYBMUJFWSA-N -1 3 348.380 2.575 20 5 EFBDHM O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[N-]OCCC(F)(F)F ZINC000280334401 273316833 /nfs/dbraw/zinc/31/68/33/273316833.db2.gz ZLYFCQMHHIXZNQ-UHFFFAOYSA-N -1 3 344.648 2.930 20 5 EFBDHM Cc1nnc([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)n1C1CC1 ZINC000285077359 273937966 /nfs/dbraw/zinc/93/79/66/273937966.db2.gz DZCMMNITXXKZBD-UHFFFAOYSA-N -1 3 327.300 2.828 20 5 EFBDHM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1ncc(COC)s1 ZINC000286987286 274315994 /nfs/dbraw/zinc/31/59/94/274315994.db2.gz OGKJQCBUFPTVEQ-UHFFFAOYSA-N -1 3 337.357 2.849 20 5 EFBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](C1CC1)C(F)(F)F ZINC000288356547 274576100 /nfs/dbraw/zinc/57/61/00/274576100.db2.gz JGVRACXGTJMMGU-NSHDSACASA-N -1 3 338.307 2.522 20 5 EFBDHM O=C(Nc1c[nH]nc1-c1ccccn1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000155418237 274995972 /nfs/dbraw/zinc/99/59/72/274995972.db2.gz BSJBVBYIERAAHW-UHFFFAOYSA-N -1 3 349.310 2.509 20 5 EFBDHM Cc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)N(C)C)cc1 ZINC000067593463 292696861 /nfs/dbraw/zinc/69/68/61/292696861.db2.gz ZKUWQSUOIHQMHO-INIZCTEOSA-N -1 3 343.383 2.642 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@]2(C)CCCS2)cc1C ZINC000126160116 293030469 /nfs/dbraw/zinc/03/04/69/293030469.db2.gz MWOBNXCVENSXIE-AWEZNQCLSA-N -1 3 344.458 2.776 20 5 EFBDHM COc1cc(F)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000126461412 293039964 /nfs/dbraw/zinc/03/99/64/293039964.db2.gz WBRSTDKHRWMNCE-UHFFFAOYSA-N -1 3 344.295 2.682 20 5 EFBDHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cccc(O)c1F ZINC000131550329 293200276 /nfs/dbraw/zinc/20/02/76/293200276.db2.gz CTFDQDXPMITNDK-UHFFFAOYSA-N -1 3 340.332 2.857 20 5 EFBDHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C)CO2 ZINC000152538175 293338128 /nfs/dbraw/zinc/33/81/28/293338128.db2.gz BJCNEQVUCIAYIM-CYBMUJFWSA-N -1 3 348.380 2.624 20 5 EFBDHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C)CO2 ZINC000152564725 293339393 /nfs/dbraw/zinc/33/93/93/293339393.db2.gz FHDQLCCXXNXQDK-AWEZNQCLSA-N -1 3 348.380 2.624 20 5 EFBDHM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1[O-] ZINC000153256775 293367523 /nfs/dbraw/zinc/36/75/23/293367523.db2.gz MGWGVIVGYSNVEK-UHFFFAOYSA-N -1 3 330.340 2.759 20 5 EFBDHM O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])[N-]OC/C=C/Cl ZINC000292004832 294549070 /nfs/dbraw/zinc/54/90/70/294549070.db2.gz CJASHPUUMBISKB-ORCRQEGFSA-N -1 3 335.143 2.817 20 5 EFBDHM Cc1ncc(S(=O)(=O)[N-]C(C)(C)c2ccccc2[N+](=O)[O-])s1 ZINC000292085578 294575096 /nfs/dbraw/zinc/57/50/96/294575096.db2.gz RQGCJLCRFDBCAO-UHFFFAOYSA-N -1 3 341.414 2.573 20 5 EFBDHM CCc1nc(C)c(C[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)o1 ZINC000293961828 295088015 /nfs/dbraw/zinc/08/80/15/295088015.db2.gz JTDNJBQMLFSIAF-UHFFFAOYSA-N -1 3 339.298 2.862 20 5 EFBDHM COc1cc(CNC[C@@H](Cc2ccccc2)OC)c([N+](=O)[O-])cc1[O-] ZINC000294759470 295222162 /nfs/dbraw/zinc/22/21/62/295222162.db2.gz IZAZUTMQCXHDQG-OAHLLOKOSA-N -1 3 346.383 2.656 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1c2ccccc2O[C@H]1C ZINC000341892056 302050264 /nfs/dbraw/zinc/05/02/64/302050264.db2.gz SSIICHPVBINEKJ-XHDPSFHLSA-N -1 3 348.380 2.704 20 5 EFBDHM CC(C)Cc1nnc([N-]C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)s1 ZINC000299175422 311059202 /nfs/dbraw/zinc/05/92/02/311059202.db2.gz WYHRHPYODJVKFO-UHFFFAOYSA-N -1 3 346.372 2.773 20 5 EFBDHM Cc1cccc(NCCCNC(=O)c2cccc([O-])c2)c1[N+](=O)[O-] ZINC000302472549 311190806 /nfs/dbraw/zinc/19/08/06/311190806.db2.gz DDEJUUSRGMOPIC-UHFFFAOYSA-N -1 3 329.356 2.841 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](C)CC(F)(F)F)c([N+](=O)[O-])c1 ZINC000416612926 312193435 /nfs/dbraw/zinc/19/34/35/312193435.db2.gz ZMSNKMHUPUQKMA-VIFPVBQESA-N -1 3 340.323 2.770 20 5 EFBDHM O=C([O-])COCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000417623179 312248494 /nfs/dbraw/zinc/24/84/94/312248494.db2.gz MXOMJOQEUMAAFS-UHFFFAOYSA-N -1 3 336.369 2.514 20 5 EFBDHM CN(CCc1ccccc1[N+](=O)[O-])Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459464596 313108590 /nfs/dbraw/zinc/10/85/90/313108590.db2.gz NQJULGQBUOCCLY-UHFFFAOYSA-N -1 3 328.372 2.642 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@@H]2C2CCCCC2)c(F)c1 ZINC000462500796 313115481 /nfs/dbraw/zinc/11/54/81/313115481.db2.gz JLFWQZBKPOLBGY-OCCSQVGLSA-N -1 3 342.392 2.981 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCc2ccccc2)c1C ZINC000469033334 313118563 /nfs/dbraw/zinc/11/85/63/313118563.db2.gz SXYBTGBCYRHFAQ-UHFFFAOYSA-N -1 3 334.397 2.733 20 5 EFBDHM Cc1cccc(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c1 ZINC000478178243 313248911 /nfs/dbraw/zinc/24/89/11/313248911.db2.gz OOEULFDAPLDQFO-UHFFFAOYSA-N -1 3 334.397 2.999 20 5 EFBDHM O=C(/C=C\c1cncc([O-])c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000492471182 314002716 /nfs/dbraw/zinc/00/27/16/314002716.db2.gz HVQDRHSMEMGRPF-DAXSKMNVSA-N -1 3 339.351 2.900 20 5 EFBDHM COc1ccccc1CO[N-]C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000492617673 314059564 /nfs/dbraw/zinc/05/95/64/314059564.db2.gz DLWGHAGJVRBXTC-FLIBITNWSA-N -1 3 328.324 2.865 20 5 EFBDHM COc1ccccc1CO[N-]C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000492617672 314059626 /nfs/dbraw/zinc/05/96/26/314059626.db2.gz DLWGHAGJVRBXTC-DHZHZOJOSA-N -1 3 328.324 2.865 20 5 EFBDHM Cc1ccccc1C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000497735114 315396579 /nfs/dbraw/zinc/39/65/79/315396579.db2.gz VUOVVPOODRADGJ-UHFFFAOYSA-N -1 3 334.397 2.999 20 5 EFBDHM Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(CN(C)C)c1 ZINC000515383599 315614266 /nfs/dbraw/zinc/61/42/66/315614266.db2.gz ODKDGHKMJUKZPN-UHFFFAOYSA-N -1 3 349.412 2.766 20 5 EFBDHM Cc1cc(C)cc(CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000525387092 316213118 /nfs/dbraw/zinc/21/31/18/316213118.db2.gz CWOFFPYMYCEIIF-UHFFFAOYSA-N -1 3 334.397 2.733 20 5 EFBDHM CCc1ccc([O-])c(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000541497187 317778487 /nfs/dbraw/zinc/77/84/87/317778487.db2.gz JRQONXJPRNIKNJ-UHFFFAOYSA-N -1 3 330.340 2.801 20 5 EFBDHM Cc1ccc([C@@H](C)NC(=O)N=c2cc3ccccn3[n-]2)cc1[N+](=O)[O-] ZINC000558467325 318469929 /nfs/dbraw/zinc/46/99/29/318469929.db2.gz OGWSHHPCXXIOFJ-GFCCVEGCSA-N -1 3 339.355 2.856 20 5 EFBDHM CCc1[nH]ccc1C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000561206709 318594076 /nfs/dbraw/zinc/59/40/76/318594076.db2.gz OYKJDQBNCANQOL-UHFFFAOYSA-N -1 3 325.328 2.550 20 5 EFBDHM O=C([O-])c1cc(N2CCN(CC3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000566799525 319111809 /nfs/dbraw/zinc/11/18/09/319111809.db2.gz HXOZBQSCRHATRX-UHFFFAOYSA-N -1 3 347.415 2.995 20 5 EFBDHM C[C@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000567505230 319178847 /nfs/dbraw/zinc/17/88/47/319178847.db2.gz REHMQMYKLQMJFU-QWHCGFSZSA-N -1 3 335.404 2.754 20 5 EFBDHM CC(C)(CCN1CCN(c2ccccc2[N+](=O)[O-])CC1)CC(=O)[O-] ZINC000567509905 319178881 /nfs/dbraw/zinc/17/88/81/319178881.db2.gz QNWNVQGWTXFCTF-UHFFFAOYSA-N -1 3 335.404 2.608 20 5 EFBDHM C[C@@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000567505229 319179044 /nfs/dbraw/zinc/17/90/44/319179044.db2.gz REHMQMYKLQMJFU-OLZOCXBDSA-N -1 3 335.404 2.754 20 5 EFBDHM C[C@@H]1[C@@H](C(=O)[O-])CCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000568072425 319243806 /nfs/dbraw/zinc/24/38/06/319243806.db2.gz AQQNYSSCKAEKAK-YGRLFVJLSA-N -1 3 331.328 2.545 20 5 EFBDHM O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1ccc(F)cc1F ZINC000568582948 319296138 /nfs/dbraw/zinc/29/61/38/319296138.db2.gz QKCMNZOKABPEEE-HNNXBMFYSA-N -1 3 336.294 2.659 20 5 EFBDHM Cc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000577373310 320104583 /nfs/dbraw/zinc/10/45/83/320104583.db2.gz PNFRHOMEUDPJAI-UHFFFAOYSA-N -1 3 349.412 2.766 20 5 EFBDHM C[C@H](Nc1nccc(C(=O)[O-])c1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000577955496 320159603 /nfs/dbraw/zinc/15/96/03/320159603.db2.gz VYBMLCVRZRDBKJ-FZMZJTMJSA-N -1 3 344.371 2.791 20 5 EFBDHM O=C([O-])[C@]1(c2ccccc2)CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000577958398 320160332 /nfs/dbraw/zinc/16/03/32/320160332.db2.gz JAHPGQHQOKLULT-GOSISDBHSA-N -1 3 326.352 2.823 20 5 EFBDHM Cc1c(CN2CCC([C@@H]3OCC[C@H]3C(=O)[O-])CC2)cccc1[N+](=O)[O-] ZINC000581257212 324338267 /nfs/dbraw/zinc/33/82/67/324338267.db2.gz XEILALKQNAMZHP-WBVHZDCISA-N -1 3 348.399 2.605 20 5 EFBDHM Cc1c(CN2CCC([C@@H]3OCC[C@@H]3C(=O)[O-])CC2)cccc1[N+](=O)[O-] ZINC000581257211 324338546 /nfs/dbraw/zinc/33/85/46/324338546.db2.gz XEILALKQNAMZHP-RDJZCZTQSA-N -1 3 348.399 2.605 20 5 EFBDHM Cc1ccc([O-])c(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000111577503 473218469 /nfs/dbraw/zinc/21/84/69/473218469.db2.gz QNDWDBWFYOOZRL-UHFFFAOYSA-N -1 3 339.307 2.703 20 5 EFBDHM COc1cc(S(=O)(=O)[N-]c2ccc(F)cc2F)ccc1[N+](=O)[O-] ZINC000124366732 473238377 /nfs/dbraw/zinc/23/83/77/473238377.db2.gz CYSIMNNIUUFTCN-UHFFFAOYSA-N -1 3 344.295 2.682 20 5 EFBDHM CCOC(=O)c1cc(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)n[n-]1 ZINC000190431130 473271470 /nfs/dbraw/zinc/27/14/70/473271470.db2.gz CEGIBYFXWADTLT-UHFFFAOYSA-N -1 3 346.343 2.870 20 5 EFBDHM CCOC(=O)c1cc(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)[n-]n1 ZINC000190431130 473271475 /nfs/dbraw/zinc/27/14/75/473271475.db2.gz CEGIBYFXWADTLT-UHFFFAOYSA-N -1 3 346.343 2.870 20 5 EFBDHM CC(C)[C@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000177023646 473289563 /nfs/dbraw/zinc/28/95/63/473289563.db2.gz MJCVYGDKNWEYBB-AWEZNQCLSA-N -1 3 349.412 2.708 20 5 EFBDHM CCc1ncc(S(=O)(=O)[N-][C@@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000451589905 478111196 /nfs/dbraw/zinc/11/11/96/478111196.db2.gz XDHVCVLKFRIDMA-VIFPVBQESA-N -1 3 341.414 2.653 20 5 EFBDHM Cc1ccncc1[C@H](C)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000616428769 479906239 /nfs/dbraw/zinc/90/62/39/479906239.db2.gz CGKXIDUYOALVPL-ZDUSSCGKSA-N -1 3 349.412 2.955 20 5 EFBDHM COC(=O)c1cc(C(=O)Nc2ccc(C)cc2[O-])cc([N+](=O)[O-])c1 ZINC000008378847 471685190 /nfs/dbraw/zinc/68/51/90/471685190.db2.gz TXUZNKKSYJMPLY-UHFFFAOYSA-N -1 3 330.296 2.648 20 5 EFBDHM COc1cccc([C@@H](C)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000014220582 471863538 /nfs/dbraw/zinc/86/35/38/471863538.db2.gz RILYYGFSZNREDJ-LLVKDONJSA-N -1 3 336.369 2.643 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)ccc1F ZINC000016129374 471926270 /nfs/dbraw/zinc/92/62/70/471926270.db2.gz XGIVILIURASRNX-UHFFFAOYSA-N -1 3 328.296 2.982 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1ccc(F)c(Cl)c1 ZINC000033898311 471987538 /nfs/dbraw/zinc/98/75/38/471987538.db2.gz NMOBUYWCXOSASE-UHFFFAOYSA-N -1 3 344.751 2.866 20 5 EFBDHM CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)[N-]c2nncs2)CC1 ZINC000021213766 471997600 /nfs/dbraw/zinc/99/76/00/471997600.db2.gz VPHNYKYQZIZEKW-UHFFFAOYSA-N -1 3 347.400 2.935 20 5 EFBDHM O=[N+]([O-])c1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000036136921 472000175 /nfs/dbraw/zinc/00/01/75/472000175.db2.gz JKLHUGCMXYRXEL-UHFFFAOYSA-N -1 3 346.817 2.831 20 5 EFBDHM C[C@H](CCc1ccco1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000055221150 472154820 /nfs/dbraw/zinc/15/48/20/472154820.db2.gz QPLLXQGUUYVKMP-SNVBAGLBSA-N -1 3 342.348 2.627 20 5 EFBDHM CCc1ccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000056060402 472276571 /nfs/dbraw/zinc/27/65/71/472276571.db2.gz VBMRDVGPSWJAPO-UHFFFAOYSA-N -1 3 326.399 2.697 20 5 EFBDHM Cc1ccc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c([O-])c1 ZINC000044614468 472324008 /nfs/dbraw/zinc/32/40/08/472324008.db2.gz BKBPLEXBHQBWMN-UHFFFAOYSA-N -1 3 341.367 2.571 20 5 EFBDHM O=C(Nc1ccc(-n2ccnc2)cc1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000032333084 472422694 /nfs/dbraw/zinc/42/26/94/472422694.db2.gz MSMZDRZKPNXBQW-UHFFFAOYSA-N -1 3 348.322 2.909 20 5 EFBDHM Cc1ncsc1C(=O)[N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000128305336 472433936 /nfs/dbraw/zinc/43/39/36/472433936.db2.gz OZUVVMFNESXQJL-UHFFFAOYSA-N -1 3 335.341 2.773 20 5 EFBDHM O=C([N-]c1nncn1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000117735257 472477109 /nfs/dbraw/zinc/47/71/09/472477109.db2.gz MLKJJSFCWFXECD-UHFFFAOYSA-N -1 3 341.302 2.626 20 5 EFBDHM O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1cnc2ccccc2c1[O-] ZINC000089887796 472534616 /nfs/dbraw/zinc/53/46/16/472534616.db2.gz XZFRYJZGHGATSC-UHFFFAOYSA-N -1 3 349.306 2.565 20 5 EFBDHM CCCCOCCC[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000060496474 472661597 /nfs/dbraw/zinc/66/15/97/472661597.db2.gz HYIHZQGHSSLYDB-UHFFFAOYSA-N -1 3 344.433 2.697 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCc2cccs2)cc1C ZINC000060497456 472661658 /nfs/dbraw/zinc/66/16/58/472661658.db2.gz OJLNZJXWHJQOHJ-UHFFFAOYSA-N -1 3 340.426 2.794 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2cccs2)cc1C ZINC000060496705 472661992 /nfs/dbraw/zinc/66/19/92/472661992.db2.gz NTWXYOMJWVDYOD-UHFFFAOYSA-N -1 3 326.399 2.752 20 5 EFBDHM O=C(NCCNc1ccc([N+](=O)[O-])cc1Cl)c1ccc([O-])cc1 ZINC000047537801 472727526 /nfs/dbraw/zinc/72/75/26/472727526.db2.gz ZGTBLLXFFPBVRG-UHFFFAOYSA-N -1 3 335.747 2.796 20 5 EFBDHM CCOC(=O)c1cc(C(=O)[N-]c2c(C)noc2C)cc([N+](=O)[O-])c1 ZINC000063447685 472776675 /nfs/dbraw/zinc/77/66/75/472776675.db2.gz MEQGPTRBHPVCKR-UHFFFAOYSA-N -1 3 333.300 2.629 20 5 EFBDHM COc1cc(C(=O)[N-]c2nc3ccc(Cl)cn3n2)ccc1[N+](=O)[O-] ZINC000157105440 472787090 /nfs/dbraw/zinc/78/70/90/472787090.db2.gz DMLLSSFIPBUCQR-UHFFFAOYSA-N -1 3 347.718 2.552 20 5 EFBDHM CO[C@H](C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(C)(C)C ZINC000121150844 472808098 /nfs/dbraw/zinc/80/80/98/472808098.db2.gz LAYQUOJWDXGNNY-CYBMUJFWSA-N -1 3 344.433 2.551 20 5 EFBDHM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCN(CC2CCCCC2)CC1 ZINC000133820480 472845157 /nfs/dbraw/zinc/84/51/57/472845157.db2.gz LHARXAGVZXKTQI-UHFFFAOYSA-N -1 3 347.415 2.639 20 5 EFBDHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccc([N+](=O)[O-])cc2)cc1F ZINC000121978229 472957869 /nfs/dbraw/zinc/95/78/69/472957869.db2.gz ZMSLQCKAILCZFV-UHFFFAOYSA-N -1 3 342.323 2.660 20 5 EFBDHM Cc1ccsc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000123326687 473127705 /nfs/dbraw/zinc/12/77/05/473127705.db2.gz HONDHFLARVZLRT-UHFFFAOYSA-N -1 3 332.428 2.813 20 5 EFBDHM CCc1cc(=O)[n-]c(CSCCOc2cccc([N+](=O)[O-])c2)n1 ZINC000125609317 473434266 /nfs/dbraw/zinc/43/42/66/473434266.db2.gz PLTJWJKIERYQKD-UHFFFAOYSA-N -1 3 335.385 2.965 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC2CC2)c(C(F)(F)F)c1 ZINC000163395431 473441460 /nfs/dbraw/zinc/44/14/60/473441460.db2.gz FRYSWRHZGNCQAD-UHFFFAOYSA-N -1 3 338.307 2.692 20 5 EFBDHM C[C@H]1CCCN(C(C)(C)CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000164346936 473486651 /nfs/dbraw/zinc/48/66/51/473486651.db2.gz LJDQTRFQIFFAGS-LBPRGKRZSA-N -1 3 335.404 2.541 20 5 EFBDHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cs1 ZINC000185781603 473513233 /nfs/dbraw/zinc/51/32/33/473513233.db2.gz SZPNWLZNJMLAAC-SECBINFHSA-N -1 3 341.414 2.653 20 5 EFBDHM COc1cc(CNc2nnc(-c3ccoc3C)o2)c([N+](=O)[O-])cc1[O-] ZINC000185865704 473533921 /nfs/dbraw/zinc/53/39/21/473533921.db2.gz DZNRAYOZTAHPFF-UHFFFAOYSA-N -1 3 346.299 2.873 20 5 EFBDHM COC1(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CCCCC1 ZINC000186275824 473635057 /nfs/dbraw/zinc/63/50/57/473635057.db2.gz QGRGCADWERTSBP-UHFFFAOYSA-N -1 3 342.417 2.531 20 5 EFBDHM C[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@H](c1ccccc1)N(C)C ZINC000186480527 473680239 /nfs/dbraw/zinc/68/02/39/473680239.db2.gz HZZWMOLTSCZZJE-SJKOYZFVSA-N -1 3 343.383 2.722 20 5 EFBDHM Cc1ccc([C@H](CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000269180001 473721622 /nfs/dbraw/zinc/72/16/22/473721622.db2.gz KZJOUJWPHSNCHC-KRWDZBQOSA-N -1 3 343.383 2.642 20 5 EFBDHM Cc1c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cnn1C1CCCC1 ZINC000192996907 473757910 /nfs/dbraw/zinc/75/79/10/473757910.db2.gz XJUUDUMKUGSJQG-UHFFFAOYSA-N -1 3 331.332 2.568 20 5 EFBDHM O=C(Nc1ccc(Br)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186851884 473769731 /nfs/dbraw/zinc/76/97/31/473769731.db2.gz KABARBGWTFHRRJ-UHFFFAOYSA-N -1 3 338.117 2.710 20 5 EFBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccncc1 ZINC000173221383 473774357 /nfs/dbraw/zinc/77/43/57/473774357.db2.gz WONJEEAMMSIHEZ-CYBMUJFWSA-N -1 3 339.348 2.559 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Sc1nnc2[n-]c(=O)c(C)nn21 ZINC000180050668 473786581 /nfs/dbraw/zinc/78/65/81/473786581.db2.gz MLAJJEVAWZNCTI-SECBINFHSA-N -1 3 346.372 2.603 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)C1CCCCC1 ZINC000173282694 473794052 /nfs/dbraw/zinc/79/40/52/473794052.db2.gz HONOYPVSSNSFHM-NSHDSACASA-N -1 3 342.417 2.851 20 5 EFBDHM O=C(Nc1nnc(-c2ccsc2)s1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187071738 473812566 /nfs/dbraw/zinc/81/25/66/473812566.db2.gz YTNFDRBGHJIAOI-UHFFFAOYSA-N -1 3 349.353 2.528 20 5 EFBDHM C[C@@H](Cc1cccs1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000193871455 473817479 /nfs/dbraw/zinc/81/74/79/473817479.db2.gz MGYDPTDJBRFHJN-VIFPVBQESA-N -1 3 344.389 2.705 20 5 EFBDHM O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187209228 473837804 /nfs/dbraw/zinc/83/78/04/473837804.db2.gz UTISQKDRWLLDDJ-UHFFFAOYSA-N -1 3 349.253 2.762 20 5 EFBDHM O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187209228 473837809 /nfs/dbraw/zinc/83/78/09/473837809.db2.gz UTISQKDRWLLDDJ-UHFFFAOYSA-N -1 3 349.253 2.762 20 5 EFBDHM CC(C)CO[N-]C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000269698314 473866364 /nfs/dbraw/zinc/86/63/64/473866364.db2.gz JEJDIOOOWLHBFD-UHFFFAOYSA-N -1 3 335.129 2.814 20 5 EFBDHM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cccc2[n-]nnc21 ZINC000187455377 473876152 /nfs/dbraw/zinc/87/61/52/473876152.db2.gz DFZFHEDYGWYMLV-UHFFFAOYSA-N -1 3 339.355 2.917 20 5 EFBDHM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cccc2nn[n-]c21 ZINC000187455377 473876157 /nfs/dbraw/zinc/87/61/57/473876157.db2.gz DFZFHEDYGWYMLV-UHFFFAOYSA-N -1 3 339.355 2.917 20 5 EFBDHM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cccc2n[n-]nc21 ZINC000187455377 473876160 /nfs/dbraw/zinc/87/61/60/473876160.db2.gz DFZFHEDYGWYMLV-UHFFFAOYSA-N -1 3 339.355 2.917 20 5 EFBDHM Cc1ncc(S(=O)(=O)[N-][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000269963650 473935713 /nfs/dbraw/zinc/93/57/13/473935713.db2.gz JLAQHIWBPATLGU-VIFPVBQESA-N -1 3 341.414 2.708 20 5 EFBDHM O=C(Nc1cc(F)ccc1[O-])c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000174888429 474112886 /nfs/dbraw/zinc/11/28/86/474112886.db2.gz WWKBRXQPBKYKQK-UHFFFAOYSA-N -1 3 342.286 2.878 20 5 EFBDHM CCS[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000175273075 474177843 /nfs/dbraw/zinc/17/78/43/474177843.db2.gz VZYHNOZLJNWZMM-WCQYABFASA-N -1 3 344.458 2.856 20 5 EFBDHM COC(=O)c1cc([N-]C(=O)c2ocnc2C2CC2)c(C)c([N+](=O)[O-])c1 ZINC000289546546 474317575 /nfs/dbraw/zinc/31/75/75/474317575.db2.gz WZLYNKXCIXHODH-UHFFFAOYSA-N -1 3 345.311 2.808 20 5 EFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C)c2cccnc2)c1[N+](=O)[O-] ZINC000189806752 474486640 /nfs/dbraw/zinc/48/66/40/474486640.db2.gz HJZGJIIIXPTDTH-LBPRGKRZSA-N -1 3 335.385 2.646 20 5 EFBDHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])s1 ZINC000184641275 474572189 /nfs/dbraw/zinc/57/21/89/474572189.db2.gz SVZJZMMDVWEVLQ-SNVBAGLBSA-N -1 3 341.414 2.540 20 5 EFBDHM COCCCn1ccc([N-]c2cc(C(F)(F)F)ncc2[N+](=O)[O-])n1 ZINC000278517166 474676061 /nfs/dbraw/zinc/67/60/61/474676061.db2.gz YNQONHMZQNJDCV-UHFFFAOYSA-N -1 3 345.281 2.985 20 5 EFBDHM C[C@H]([N-]S(=O)(=O)c1sccc1F)c1ccccc1[N+](=O)[O-] ZINC000338945749 474761547 /nfs/dbraw/zinc/76/15/47/474761547.db2.gz TVMOUGASJKOCSH-QMMMGPOBSA-N -1 3 330.362 2.835 20 5 EFBDHM CCC[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000609196917 480125051 /nfs/dbraw/zinc/12/50/51/480125051.db2.gz CEQVHLBNXPQPJC-CYBMUJFWSA-N -1 3 335.385 2.810 20 5 EFBDHM Cc1c(C[N-]S(=O)(=O)c2sccc2F)cccc1[N+](=O)[O-] ZINC000338970373 474789308 /nfs/dbraw/zinc/78/93/08/474789308.db2.gz GMRXACVHXNTXGI-UHFFFAOYSA-N -1 3 330.362 2.582 20 5 EFBDHM CCSCCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000337230037 474805278 /nfs/dbraw/zinc/80/52/78/474805278.db2.gz IAMOEGZUFPAXNH-UHFFFAOYSA-N -1 3 338.838 2.670 20 5 EFBDHM COc1ccc2c(c1)CCN(Cc1cc([O-])ccc1[N+](=O)[O-])CC2 ZINC000339054513 474884425 /nfs/dbraw/zinc/88/44/25/474884425.db2.gz QEOBEPVPHUEDHL-UHFFFAOYSA-N -1 3 328.368 2.910 20 5 EFBDHM Cc1cc(=O)[n-]c(C=Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)n1 ZINC000339115903 474941494 /nfs/dbraw/zinc/94/14/94/474941494.db2.gz HWQKRJXTMRTZCB-YVMONPNESA-N -1 3 337.339 2.970 20 5 EFBDHM Cc1c(Cl)cc(S(=O)(=O)[N-][C@H]2CCC[C@H]2F)cc1[N+](=O)[O-] ZINC000339119658 474945636 /nfs/dbraw/zinc/94/56/36/474945636.db2.gz NHYOFUJQXFCMLQ-MNOVXSKESA-N -1 3 336.772 2.726 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2CC(F)(F)C2)c1C ZINC000292333357 474967732 /nfs/dbraw/zinc/96/77/32/474967732.db2.gz OONSCHABYRQXRA-UHFFFAOYSA-N -1 3 334.344 2.535 20 5 EFBDHM CCc1cc(C(=O)NCCNc2ccccc2[N+](=O)[O-])ccc1[O-] ZINC000341094251 474968647 /nfs/dbraw/zinc/96/86/47/474968647.db2.gz HETPPBWBQFUCQA-UHFFFAOYSA-N -1 3 329.356 2.705 20 5 EFBDHM CC(C)(NC(=O)c1cc(F)cc2nn[n-]c21)c1ccc([N+](=O)[O-])cc1 ZINC000337406410 474984115 /nfs/dbraw/zinc/98/41/15/474984115.db2.gz NRMRXIMOIFGKRX-UHFFFAOYSA-N -1 3 343.318 2.670 20 5 EFBDHM CC(C)(NC(=O)c1cc(F)cc2[n-]nnc21)c1ccc([N+](=O)[O-])cc1 ZINC000337406410 474984125 /nfs/dbraw/zinc/98/41/25/474984125.db2.gz NRMRXIMOIFGKRX-UHFFFAOYSA-N -1 3 343.318 2.670 20 5 EFBDHM CC(C)(NC(=O)c1cc(F)cc2n[n-]nc21)c1ccc([N+](=O)[O-])cc1 ZINC000337406410 474984133 /nfs/dbraw/zinc/98/41/33/474984133.db2.gz NRMRXIMOIFGKRX-UHFFFAOYSA-N -1 3 343.318 2.670 20 5 EFBDHM CC(C)(C)c1nnc(C(=O)[N-]c2n[nH]c3ccc([N+](=O)[O-])cc32)s1 ZINC000281254154 475136957 /nfs/dbraw/zinc/13/69/57/475136957.db2.gz OLONSAFXWRXWRI-UHFFFAOYSA-N -1 3 346.372 2.872 20 5 EFBDHM CC(C)c1ccc([C@@H](N)CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000261995653 475140443 /nfs/dbraw/zinc/14/04/43/475140443.db2.gz NPPSHMIROWCQKO-HNNXBMFYSA-N -1 3 343.383 2.854 20 5 EFBDHM O=C([N-]c1ccnc(OCC(F)(F)F)c1)c1ccc([N+](=O)[O-])o1 ZINC000345456963 475202780 /nfs/dbraw/zinc/20/27/80/475202780.db2.gz NDLKBYWWNYMNNR-UHFFFAOYSA-N -1 3 331.206 2.776 20 5 EFBDHM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nnc(SC)[n-]1 ZINC000361160329 475233773 /nfs/dbraw/zinc/23/37/73/475233773.db2.gz WSGIHWZPRSPGAS-JTQLQIEISA-N -1 3 335.389 2.642 20 5 EFBDHM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(SC)n[n-]1 ZINC000361160329 475233780 /nfs/dbraw/zinc/23/37/80/475233780.db2.gz WSGIHWZPRSPGAS-JTQLQIEISA-N -1 3 335.389 2.642 20 5 EFBDHM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1n[n-]c(SC)n1 ZINC000361160329 475233786 /nfs/dbraw/zinc/23/37/86/475233786.db2.gz WSGIHWZPRSPGAS-JTQLQIEISA-N -1 3 335.389 2.642 20 5 EFBDHM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nnc(SC)[n-]1 ZINC000361160330 475234122 /nfs/dbraw/zinc/23/41/22/475234122.db2.gz WSGIHWZPRSPGAS-SNVBAGLBSA-N -1 3 335.389 2.642 20 5 EFBDHM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(SC)n[n-]1 ZINC000361160330 475234133 /nfs/dbraw/zinc/23/41/33/475234133.db2.gz WSGIHWZPRSPGAS-SNVBAGLBSA-N -1 3 335.389 2.642 20 5 EFBDHM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1n[n-]c(SC)n1 ZINC000361160330 475234141 /nfs/dbraw/zinc/23/41/41/475234141.db2.gz WSGIHWZPRSPGAS-SNVBAGLBSA-N -1 3 335.389 2.642 20 5 EFBDHM Cc1[nH]nc(C(=O)[N-]c2nc3c(ccc(F)c3F)s2)c1[N+](=O)[O-] ZINC000347332805 475240020 /nfs/dbraw/zinc/24/00/20/475240020.db2.gz YNTWOKDDJYRGPJ-UHFFFAOYSA-N -1 3 339.283 2.767 20 5 EFBDHM Nc1ccc(-c2noc(-c3n[n-]nc3-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000345646125 475332556 /nfs/dbraw/zinc/33/25/56/475332556.db2.gz KMRARUOPNLXMRF-UHFFFAOYSA-N -1 3 349.310 2.679 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2c3ccccc3O[C@@H]2C)c([N+](=O)[O-])c1 ZINC000341896921 475391316 /nfs/dbraw/zinc/39/13/16/475391316.db2.gz LACUFOIKGRDWAH-BDJLRTHQSA-N -1 3 348.380 2.704 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H]1CCCC[C@H]1C ZINC000354771002 475397895 /nfs/dbraw/zinc/39/78/95/475397895.db2.gz OIEDZVRITKYFNO-NEPJUHHUSA-N -1 3 342.417 2.708 20 5 EFBDHM COc1ccc(CSCC(=O)Nc2ncccc2[O-])cc1[N+](=O)[O-] ZINC000341903070 475398184 /nfs/dbraw/zinc/39/81/84/475398184.db2.gz QCCKRUMNRNCOIG-UHFFFAOYSA-N -1 3 349.368 2.576 20 5 EFBDHM CCOCC(C)(C)C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000341957124 475449165 /nfs/dbraw/zinc/44/91/65/475449165.db2.gz NTSHVNRVMDYGAT-UHFFFAOYSA-N -1 3 344.433 2.553 20 5 EFBDHM O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CCCc2cccc([O-])c21 ZINC000352663486 475504368 /nfs/dbraw/zinc/50/43/68/475504368.db2.gz HDGYLDNRWGWOEO-UHFFFAOYSA-N -1 3 330.315 2.961 20 5 EFBDHM COC(=O)c1ccnc([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000358243048 475520941 /nfs/dbraw/zinc/52/09/41/475520941.db2.gz UOVYZZFVRVKIIO-UHFFFAOYSA-N -1 3 341.279 2.775 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1cccc2cc[nH]c21 ZINC000342079885 475553554 /nfs/dbraw/zinc/55/35/54/475553554.db2.gz UQYVVIACNGYTFR-UHFFFAOYSA-N -1 3 331.353 2.555 20 5 EFBDHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000297051891 475590704 /nfs/dbraw/zinc/59/07/04/475590704.db2.gz MAFZSDVQIFKRNY-QMMMGPOBSA-N -1 3 341.414 2.708 20 5 EFBDHM CC(C)c1ncc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cn1 ZINC000358472971 475706211 /nfs/dbraw/zinc/70/62/11/475706211.db2.gz JUHCXBBGEDXYHS-UHFFFAOYSA-N -1 3 326.316 2.637 20 5 EFBDHM COc1c(C(=O)[N-]c2nc3ccc(Cl)cn3n2)cccc1[N+](=O)[O-] ZINC000361791816 475757005 /nfs/dbraw/zinc/75/70/05/475757005.db2.gz FTSIMTGSLVIWOB-UHFFFAOYSA-N -1 3 347.718 2.552 20 5 EFBDHM Cc1nc2cc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)ccc2[nH]1 ZINC000340143677 475793937 /nfs/dbraw/zinc/79/39/37/475793937.db2.gz MFXXRTSSUZVAJN-UHFFFAOYSA-N -1 3 346.368 2.889 20 5 EFBDHM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2[nH]1 ZINC000340143677 475793939 /nfs/dbraw/zinc/79/39/39/475793939.db2.gz MFXXRTSSUZVAJN-UHFFFAOYSA-N -1 3 346.368 2.889 20 5 EFBDHM CSCCCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000358644893 475831528 /nfs/dbraw/zinc/83/15/28/475831528.db2.gz XBWADZWAMZRSTO-UHFFFAOYSA-N -1 3 338.476 2.776 20 5 EFBDHM CCCCN1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000338420819 475887160 /nfs/dbraw/zinc/88/71/60/475887160.db2.gz GNJYDWGCXGALSE-AWEZNQCLSA-N -1 3 335.404 2.685 20 5 EFBDHM CCCCO[C@@H](C)C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000338428007 475895068 /nfs/dbraw/zinc/89/50/68/475895068.db2.gz AZNCJRDCCNHLSS-NSHDSACASA-N -1 3 332.360 2.551 20 5 EFBDHM CCOC(=O)c1cc(C(=O)Nc2cc(F)ccc2[O-])cc([N+](=O)[O-])c1 ZINC000340313311 475938611 /nfs/dbraw/zinc/93/86/11/475938611.db2.gz UPYPSNRXZCOEKT-UHFFFAOYSA-N -1 3 348.286 2.869 20 5 EFBDHM Cc1cc2[nH]ncc2cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000358799957 475948971 /nfs/dbraw/zinc/94/89/71/475948971.db2.gz LGBAHPWBRBBPMK-UHFFFAOYSA-N -1 3 346.368 2.889 20 5 EFBDHM COc1cc(C(=O)Nc2cc(F)ccc2[O-])cc([N+](=O)[O-])c1OC ZINC000340330413 475951413 /nfs/dbraw/zinc/95/14/13/475951413.db2.gz ZKVYQCYOICLNFY-UHFFFAOYSA-N -1 3 336.275 2.709 20 5 EFBDHM Cc1cc2n[nH]cc2cc1[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000358802994 475953039 /nfs/dbraw/zinc/95/30/39/475953039.db2.gz QSNLLKHXBWPPMG-UHFFFAOYSA-N -1 3 346.368 2.721 20 5 EFBDHM COc1cc2nc(-c3ccc([N+](=O)[O-])s3)[n-]c(=O)c2c(OC)c1 ZINC000347004477 476023651 /nfs/dbraw/zinc/02/36/51/476023651.db2.gz OEZFCHAYQPEGTD-UHFFFAOYSA-N -1 3 333.325 2.577 20 5 EFBDHM COc1nc2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc2s1 ZINC000355558949 476032052 /nfs/dbraw/zinc/03/20/52/476032052.db2.gz SXRWTAOGZJOKRZ-UHFFFAOYSA-N -1 3 346.324 2.566 20 5 EFBDHM O=C([N-]c1nnc(CC(F)(F)F)s1)c1cccc([N+](=O)[O-])c1 ZINC000362194547 476064473 /nfs/dbraw/zinc/06/44/73/476064473.db2.gz BPKGEWCLNJVXLI-UHFFFAOYSA-N -1 3 332.263 2.803 20 5 EFBDHM O=[N+]([O-])c1ccc2c(c1)CN(Cc1c(F)ccc([O-])c1F)CCO2 ZINC000353569313 476087656 /nfs/dbraw/zinc/08/76/56/476087656.db2.gz VNTCJPCGNUKUPI-UHFFFAOYSA-N -1 3 336.294 2.973 20 5 EFBDHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000340576118 476117135 /nfs/dbraw/zinc/11/71/35/476117135.db2.gz CZWZFEGGEPFAET-UHFFFAOYSA-N -1 3 349.310 2.509 20 5 EFBDHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000340576118 476117138 /nfs/dbraw/zinc/11/71/38/476117138.db2.gz CZWZFEGGEPFAET-UHFFFAOYSA-N -1 3 349.310 2.509 20 5 EFBDHM Cc1ccc([N-]S(=O)(=O)CCc2cccs2)cc1[N+](=O)[O-] ZINC000357028692 476170272 /nfs/dbraw/zinc/17/02/72/476170272.db2.gz MDVJHEGFOYHNNW-UHFFFAOYSA-N -1 3 326.399 2.949 20 5 EFBDHM O=C(Nc1cccc(C(F)(F)F)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000302941591 476211394 /nfs/dbraw/zinc/21/13/94/476211394.db2.gz KAVJIULFWDRWBO-UHFFFAOYSA-N -1 3 327.218 2.967 20 5 EFBDHM COc1ccccc1-c1nc([N-]C(=O)c2ccccc2[N+](=O)[O-])n[nH]1 ZINC000357143933 476261719 /nfs/dbraw/zinc/26/17/19/476261719.db2.gz RBQACHQOKRGYHN-UHFFFAOYSA-N -1 3 339.311 2.641 20 5 EFBDHM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1nc2cccnc2s1 ZINC000362536302 476299864 /nfs/dbraw/zinc/29/98/64/476299864.db2.gz AAPZLDTYGVEGEI-UHFFFAOYSA-N -1 3 330.325 2.860 20 5 EFBDHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1cc([N+](=O)[O-])nn1C ZINC000360684143 476340601 /nfs/dbraw/zinc/34/06/01/476340601.db2.gz CLPLSOARCIWHDM-UHFFFAOYSA-N -1 3 327.300 2.544 20 5 EFBDHM CC[C@H](C)C[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000360878336 476448007 /nfs/dbraw/zinc/44/80/07/476448007.db2.gz OWFFGMNZTPBKHU-WDEREUQCSA-N -1 3 330.406 2.706 20 5 EFBDHM CC[C@H](C)C[C@H](C)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000360886561 476455321 /nfs/dbraw/zinc/45/53/21/476455321.db2.gz RGJLZUDBQUHJOL-QWRGUYRKSA-N -1 3 330.406 2.706 20 5 EFBDHM O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1c[n-]nc1-c1ccncc1 ZINC000352192252 476539373 /nfs/dbraw/zinc/53/93/73/476539373.db2.gz ZTLOWGHTNHEJRK-UHFFFAOYSA-N -1 3 327.275 2.771 20 5 EFBDHM O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1cn[n-]c1-c1ccncc1 ZINC000352192252 476539378 /nfs/dbraw/zinc/53/93/78/476539378.db2.gz ZTLOWGHTNHEJRK-UHFFFAOYSA-N -1 3 327.275 2.771 20 5 EFBDHM CCSCc1ccnc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000352350291 476654704 /nfs/dbraw/zinc/65/47/04/476654704.db2.gz LKSCBCQRUMWVGU-UHFFFAOYSA-N -1 3 334.357 2.596 20 5 EFBDHM O=C([N-]c1n[nH]c2ccc([N+](=O)[O-])cc21)c1c(F)ccc(F)c1F ZINC000354506104 476696054 /nfs/dbraw/zinc/69/60/54/476696054.db2.gz UOBBRRUZDBOFSF-UHFFFAOYSA-N -1 3 336.229 2.563 20 5 EFBDHM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000354507697 476696197 /nfs/dbraw/zinc/69/61/97/476696197.db2.gz IHHHANPEYRKTMO-NRUUGDAUSA-N -1 3 330.381 2.837 20 5 EFBDHM CCCC(=O)Nc1cccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000445173304 476730827 /nfs/dbraw/zinc/73/08/27/476730827.db2.gz NYSTWCJNSWFHDL-UHFFFAOYSA-N -1 3 344.327 2.686 20 5 EFBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)C1CCCC1 ZINC000451991059 476762390 /nfs/dbraw/zinc/76/23/90/476762390.db2.gz FCBIXPQFKIYJJT-ZDUSSCGKSA-N -1 3 342.417 2.851 20 5 EFBDHM Cc1cc(C)c(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cn1 ZINC000452037944 476787938 /nfs/dbraw/zinc/78/79/38/476787938.db2.gz CSQDAXKNGMXEAP-UHFFFAOYSA-N -1 3 349.412 2.702 20 5 EFBDHM C[C@@H](CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000390535820 476794936 /nfs/dbraw/zinc/79/49/36/476794936.db2.gz KCBBRPBKJNBZLB-LBPRGKRZSA-N -1 3 344.371 2.620 20 5 EFBDHM O=C([N-]c1nc2n(n1)CCCC2)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000457142749 476899800 /nfs/dbraw/zinc/89/98/00/476899800.db2.gz HUMXQNJUONGHIR-UHFFFAOYSA-N -1 3 343.368 2.990 20 5 EFBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1ccc(C2CC2)cn1 ZINC000446864923 476929065 /nfs/dbraw/zinc/92/90/65/476929065.db2.gz HKOIELPYWUONTN-UHFFFAOYSA-N -1 3 349.350 2.932 20 5 EFBDHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446883892 476930770 /nfs/dbraw/zinc/93/07/70/476930770.db2.gz KTOIWMUADWWBTJ-UHFFFAOYSA-N -1 3 349.346 2.635 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC(C)(C)C(C)(C)C ZINC000431574496 477054735 /nfs/dbraw/zinc/05/47/35/477054735.db2.gz KPLNJLHGRISQGQ-UHFFFAOYSA-N -1 3 344.433 2.954 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)F)cc1 ZINC000431627399 477064635 /nfs/dbraw/zinc/06/46/35/477064635.db2.gz GBXMKLNGHKCWMA-CYBMUJFWSA-N -1 3 342.323 2.880 20 5 EFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@]2(C)CC=CCC2)cc1[N+](=O)[O-] ZINC000416559229 477217170 /nfs/dbraw/zinc/21/71/70/477217170.db2.gz NSKCLZAIXQRLEN-AWEZNQCLSA-N -1 3 344.364 2.520 20 5 EFBDHM Cc1cc(S(=O)(=O)[N-]C[C@@H](C)CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000416606395 477236469 /nfs/dbraw/zinc/23/64/69/477236469.db2.gz NQTLZZSAIOMRPD-QMMMGPOBSA-N -1 3 340.323 2.770 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H](C)CC(F)(F)F ZINC000416605166 477236535 /nfs/dbraw/zinc/23/65/35/477236535.db2.gz MALMUNWMLABGOZ-QMMMGPOBSA-N -1 3 340.323 2.770 20 5 EFBDHM COC(=O)c1ccc([N-]C(=O)c2cccc(OC)c2[N+](=O)[O-])c(F)c1 ZINC000435805153 477374046 /nfs/dbraw/zinc/37/40/46/477374046.db2.gz BHBIYYKXWOJSFF-UHFFFAOYSA-N -1 3 348.286 2.781 20 5 EFBDHM COC(=O)c1cc(NC(=O)c2cc(C)ccc2[O-])cc([N+](=O)[O-])c1 ZINC000436537209 477507294 /nfs/dbraw/zinc/50/72/94/477507294.db2.gz NSPVFXZHNXPUHR-UHFFFAOYSA-N -1 3 330.296 2.648 20 5 EFBDHM CC(=O)c1ccc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1[O-] ZINC000436553660 477513026 /nfs/dbraw/zinc/51/30/26/477513026.db2.gz DXDUNALMFQNXPT-UHFFFAOYSA-N -1 3 328.324 2.775 20 5 EFBDHM CC(=O)c1ccc(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1[O-] ZINC000436582365 477523135 /nfs/dbraw/zinc/52/31/35/477523135.db2.gz HNEVPQNXIKHTSS-JTQLQIEISA-N -1 3 328.324 2.994 20 5 EFBDHM Cn1cc([N+](=O)[O-])c(-c2nc(-c3ccc([O-])c4ccccc34)no2)n1 ZINC000436609888 477533893 /nfs/dbraw/zinc/53/38/93/477533893.db2.gz IRLGSRPMVOSYED-UHFFFAOYSA-N -1 3 337.295 2.904 20 5 EFBDHM COc1cccc(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])c1[O-] ZINC000436832926 477606406 /nfs/dbraw/zinc/60/64/06/477606406.db2.gz UHORJKMZNGXOMO-UHFFFAOYSA-N -1 3 330.340 2.624 20 5 EFBDHM COc1ccc([N-]S(=O)(=O)CCC2CCCC2)cc1[N+](=O)[O-] ZINC000451008574 477789911 /nfs/dbraw/zinc/78/99/11/477789911.db2.gz MHSWAYODHQXLQK-UHFFFAOYSA-N -1 3 328.390 2.925 20 5 EFBDHM CC(C)Nc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cc(CN(C)C)on1 ZINC000456174524 477806855 /nfs/dbraw/zinc/80/68/55/477806855.db2.gz HADPWUOIDMEMGU-UHFFFAOYSA-N -1 3 347.375 2.717 20 5 EFBDHM COCc1cc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2NC(C)C)no1 ZINC000456173491 477807579 /nfs/dbraw/zinc/80/75/79/477807579.db2.gz GPAUAVWHRQVBHI-UHFFFAOYSA-N -1 3 334.332 2.802 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1C[C@H]1Cc1ccccc1 ZINC000462502937 477904932 /nfs/dbraw/zinc/90/49/32/477904932.db2.gz POKLUACNSUQVBE-CABCVRRESA-N -1 3 346.408 2.813 20 5 EFBDHM CCc1[n-][nH]c(=NC(=O)[C@H](CC)Cc2ccc([N+](=O)[O-])cc2)c1C ZINC000463115316 477928058 /nfs/dbraw/zinc/92/80/58/477928058.db2.gz XJSQFXAEMYBPPX-CYBMUJFWSA-N -1 3 330.388 2.818 20 5 EFBDHM C[C@@H](C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)C(F)(F)F ZINC000439154625 477938049 /nfs/dbraw/zinc/93/80/49/477938049.db2.gz SJAGQSZIZBGBJC-ZETCQYMHSA-N -1 3 328.250 2.544 20 5 EFBDHM CCCCN1CCCC[C@@H]1CNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000516869621 478001533 /nfs/dbraw/zinc/00/15/33/478001533.db2.gz MKEBVIRQBRWAKE-GFCCVEGCSA-N -1 3 336.392 2.755 20 5 EFBDHM Cc1c(CC(=O)N=c2cc(-c3ccccc3)[n-][nH]2)cccc1[N+](=O)[O-] ZINC000440124698 478076468 /nfs/dbraw/zinc/07/64/68/478076468.db2.gz KSPXMJINWYJDAC-UHFFFAOYSA-N -1 3 336.351 2.896 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)Cc1ccsc1 ZINC000517493165 478095098 /nfs/dbraw/zinc/09/50/98/478095098.db2.gz CNBLZLTUKQCXPB-LLVKDONJSA-N -1 3 340.426 2.874 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCC[C@@H](F)C2)c1C ZINC000579349008 478276587 /nfs/dbraw/zinc/27/65/87/478276587.db2.gz VLSWYSCQDHNBLC-VXGBXAGGSA-N -1 3 330.381 2.771 20 5 EFBDHM O=C(Cc1cncc([O-])c1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000597295736 478277696 /nfs/dbraw/zinc/27/76/96/478277696.db2.gz FUBQBPVJKPWSIG-INIZCTEOSA-N -1 3 345.380 2.512 20 5 EFBDHM Cc1ccc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)c([O-])c1C ZINC000520293242 478293097 /nfs/dbraw/zinc/29/30/97/478293097.db2.gz ZECOVANYBPPDSH-UHFFFAOYSA-N -1 3 330.340 2.726 20 5 EFBDHM Cc1ccoc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000490334639 478330485 /nfs/dbraw/zinc/33/04/85/478330485.db2.gz GYBVHPPTVRKEJF-UHFFFAOYSA-N -1 3 347.352 2.523 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)Cc2ccccn2)cc1C ZINC000594479001 478403042 /nfs/dbraw/zinc/40/30/42/478403042.db2.gz LOJDYOMTOHTTPU-ZDUSSCGKSA-N -1 3 349.412 2.516 20 5 EFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C)Cc2ccccn2)c1[N+](=O)[O-] ZINC000594479924 478404606 /nfs/dbraw/zinc/40/46/06/478404606.db2.gz JECREAVXUVZRFA-ZDUSSCGKSA-N -1 3 349.412 2.516 20 5 EFBDHM C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2OCC[C@H]2C(=O)[O-])CC1 ZINC000570729560 478433624 /nfs/dbraw/zinc/43/36/24/478433624.db2.gz NWWRVWABKDHIKA-VUCTXSBTSA-N -1 3 348.399 2.858 20 5 EFBDHM CCC(C)(C)N1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000594585635 478449264 /nfs/dbraw/zinc/44/92/64/478449264.db2.gz MMIXKAXQZFHNNG-UHFFFAOYSA-N -1 3 335.404 2.599 20 5 EFBDHM CN(C)[C@@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])c1cccc(F)c1 ZINC000571093644 478519364 /nfs/dbraw/zinc/51/93/64/478519364.db2.gz RYPUKIJMQFSZCU-ZDUSSCGKSA-N -1 3 348.334 2.542 20 5 EFBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]C(C1CC1)C1CC1 ZINC000594743833 478526843 /nfs/dbraw/zinc/52/68/43/478526843.db2.gz XLYSXQXLPGHMPW-UHFFFAOYSA-N -1 3 347.396 2.610 20 5 EFBDHM C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594754934 478531968 /nfs/dbraw/zinc/53/19/68/478531968.db2.gz PUQVKMDXAQXSDM-ZYHUDNBSSA-N -1 3 335.385 2.610 20 5 EFBDHM CCC(CC)C[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594759853 478533245 /nfs/dbraw/zinc/53/32/45/478533245.db2.gz OQJHRDLMLMACGW-UHFFFAOYSA-N -1 3 337.401 2.858 20 5 EFBDHM Cc1nn(CCC(=O)Nc2ccc([O-])cc2Cl)c(C)c1[N+](=O)[O-] ZINC000597856176 478542200 /nfs/dbraw/zinc/54/22/00/478542200.db2.gz FHMBFQHEJYRCOV-UHFFFAOYSA-N -1 3 338.751 2.796 20 5 EFBDHM O=c1cc(CN2CCc3c(cccc3[N+](=O)[O-])C2)nc(C2CC2)[n-]1 ZINC000571261840 478552932 /nfs/dbraw/zinc/55/29/32/478552932.db2.gz KSUJINFOUNSDFE-UHFFFAOYSA-N -1 3 326.356 2.526 20 5 EFBDHM CC[C@H]([N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])C1CC1 ZINC000594858048 478563135 /nfs/dbraw/zinc/56/31/35/478563135.db2.gz NWEHDCJAVUVTSZ-LBPRGKRZSA-N -1 3 335.385 2.610 20 5 EFBDHM CN(CCOc1cccc(C(=O)[O-])c1)CCc1ccccc1[N+](=O)[O-] ZINC000563976053 478677612 /nfs/dbraw/zinc/67/76/12/478677612.db2.gz FALVLLBEIIHVRO-UHFFFAOYSA-N -1 3 344.367 2.846 20 5 EFBDHM COc1ccc(-c2ccc(CN[C@H]3C[C@H](C(=O)[O-])C3)o2)c([N+](=O)[O-])c1 ZINC000564101383 478695514 /nfs/dbraw/zinc/69/55/14/478695514.db2.gz KAHOSCWLLKXFNP-XYPYZODXSA-N -1 3 346.339 2.816 20 5 EFBDHM O=c1[nH][n-]cc1CCCNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000601195310 478716836 /nfs/dbraw/zinc/71/68/36/478716836.db2.gz JUWXBSYVEHMKLP-SSDOTTSWSA-N -1 3 331.159 2.826 20 5 EFBDHM CCSC1(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CC1 ZINC000595348956 478740588 /nfs/dbraw/zinc/74/05/88/478740588.db2.gz PSFIZFWMCFVLPT-UHFFFAOYSA-N -1 3 344.458 2.776 20 5 EFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CCC[C@H](F)C2)c1[N+](=O)[O-] ZINC000592062518 478760942 /nfs/dbraw/zinc/76/09/42/478760942.db2.gz KHSGCGVKGIHQOY-NWDGAFQWSA-N -1 3 330.381 2.771 20 5 EFBDHM Cc1ccccc1C1([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000592067416 478762522 /nfs/dbraw/zinc/76/25/22/478762522.db2.gz OXEOZZOAKZXXNB-UHFFFAOYSA-N -1 3 332.381 2.871 20 5 EFBDHM CNc1nccc(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])c1[N+](=O)[O-] ZINC000572508008 478854526 /nfs/dbraw/zinc/85/45/26/478854526.db2.gz NKAICXBCAAMAGU-UHFFFAOYSA-N -1 3 344.371 2.709 20 5 EFBDHM CC[C@@H](NCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)C(=O)[O-] ZINC000592423063 478890897 /nfs/dbraw/zinc/89/08/97/478890897.db2.gz JJFSEDXJANSSFR-CYBMUJFWSA-N -1 3 334.328 2.816 20 5 EFBDHM O=C(Nc1cccc(N2CCCC2)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000507389556 478919187 /nfs/dbraw/zinc/91/91/87/478919187.db2.gz DMMKQYFZJMJONN-UHFFFAOYSA-N -1 3 328.328 2.548 20 5 EFBDHM COc1ccc(F)c(CNCc2cc(OC)c([O-])cc2[N+](=O)[O-])c1 ZINC000598647521 478944681 /nfs/dbraw/zinc/94/46/81/478944681.db2.gz NGHJXCOVBYBSLO-UHFFFAOYSA-N -1 3 336.319 2.747 20 5 EFBDHM O=c1[n-]ccc(NCC2(c3ccccc3)CCOCC2)c1[N+](=O)[O-] ZINC000596074317 479122027 /nfs/dbraw/zinc/12/20/27/479122027.db2.gz QUBUYJVJVSEORL-UHFFFAOYSA-N -1 3 329.356 2.856 20 5 EFBDHM CC1CCN(c2ccc(CNc3cc[n-]c(=O)c3[N+](=O)[O-])cn2)CC1 ZINC000596081261 479126460 /nfs/dbraw/zinc/12/64/60/479126460.db2.gz SMSOYLWJMQXGHQ-UHFFFAOYSA-N -1 3 343.387 2.939 20 5 EFBDHM CC[C@@H](C)NC(=O)c1cccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC000596081511 479127334 /nfs/dbraw/zinc/12/73/34/479127334.db2.gz VFCXBGGNTZHYMD-LLVKDONJSA-N -1 3 344.371 2.836 20 5 EFBDHM CC[C@H](C)NC(=O)c1cccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC000596081512 479127852 /nfs/dbraw/zinc/12/78/52/479127852.db2.gz VFCXBGGNTZHYMD-NSHDSACASA-N -1 3 344.371 2.836 20 5 EFBDHM O=c1[n-]ccc(NC[C@@H]2CCN(c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000596087825 479130234 /nfs/dbraw/zinc/13/02/34/479130234.db2.gz JDJRFWYUYGMVIC-NSHDSACASA-N -1 3 332.335 2.773 20 5 EFBDHM C[C@@H](CCc1ccc2c(c1)OCO2)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596095529 479135210 /nfs/dbraw/zinc/13/52/10/479135210.db2.gz QVSWMWTWVYZKFW-JTQLQIEISA-N -1 3 331.328 2.857 20 5 EFBDHM O=c1[n-]ccc(Nc2cccc(CN3CCSCC3)c2)c1[N+](=O)[O-] ZINC000596111934 479144796 /nfs/dbraw/zinc/14/47/96/479144796.db2.gz DTVIVCVNIABHBF-UHFFFAOYSA-N -1 3 346.412 2.988 20 5 EFBDHM CCN(Cc1c([O-])c(C)ncc1CO)c1ccc(F)cc1[N+](=O)[O-] ZINC000599085746 479155156 /nfs/dbraw/zinc/15/51/56/479155156.db2.gz BHEYAEQLVHEADG-UHFFFAOYSA-N -1 3 335.335 2.662 20 5 EFBDHM O=c1[n-]ccc(N2CC[C@H](COCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596139897 479160968 /nfs/dbraw/zinc/16/09/68/479160968.db2.gz XGJNSPNPHONWBF-AWEZNQCLSA-N -1 3 329.356 2.739 20 5 EFBDHM Cc1nn(C)c([N-]c2ccn([C@H](C)c3ccccc3)n2)c1[N+](=O)[O-] ZINC000610735291 479171079 /nfs/dbraw/zinc/17/10/79/479171079.db2.gz VDELQTJGIDXEQD-GFCCVEGCSA-N -1 3 326.360 2.608 20 5 EFBDHM Cc1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])c(O[C@@H]2CCOC2)c1 ZINC000596161156 479171476 /nfs/dbraw/zinc/17/14/76/479171476.db2.gz DWTALRXZQMLOBU-CYBMUJFWSA-N -1 3 345.355 2.784 20 5 EFBDHM CCS[C@@H](C)c1noc(CN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])n1 ZINC000596166155 479173658 /nfs/dbraw/zinc/17/36/58/479173658.db2.gz QWSSQAAHSOTPFQ-QMMMGPOBSA-N -1 3 339.377 2.529 20 5 EFBDHM COc1ccc([C@H](OC)[C@H](C)Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000596183536 479185119 /nfs/dbraw/zinc/18/51/19/479185119.db2.gz XVISSGGNTJQKKY-ZUZCIYMTSA-N -1 3 333.344 2.892 20 5 EFBDHM COc1ccc([C@H](OC)[C@@H](C)Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000596183535 479185263 /nfs/dbraw/zinc/18/52/63/479185263.db2.gz XVISSGGNTJQKKY-MEBBXXQBSA-N -1 3 333.344 2.892 20 5 EFBDHM COc1ccc([C@@H](OC)[C@H](C)Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000596183533 479185338 /nfs/dbraw/zinc/18/53/38/479185338.db2.gz XVISSGGNTJQKKY-BONVTDFDSA-N -1 3 333.344 2.892 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC(F)(F)C2)c(Cl)c1 ZINC000610785450 479186353 /nfs/dbraw/zinc/18/63/53/479186353.db2.gz URMNJDVZWVAONF-SSDOTTSWSA-N -1 3 340.735 2.714 20 5 EFBDHM CC[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000596191724 479189994 /nfs/dbraw/zinc/18/99/94/479189994.db2.gz CWVUUIRORCBDMB-OAHLLOKOSA-N -1 3 342.399 2.796 20 5 EFBDHM O=c1[n-]ccc(N2CCC(CCCn3ccnc3)CC2)c1[N+](=O)[O-] ZINC000596191352 479190673 /nfs/dbraw/zinc/19/06/73/479190673.db2.gz PWUVOSKKJBVYDV-UHFFFAOYSA-N -1 3 331.376 2.589 20 5 EFBDHM O=c1[n-]ccc(NC[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000596220869 479208532 /nfs/dbraw/zinc/20/85/32/479208532.db2.gz DZWAJMKKQXZMLK-PRHODGIISA-N -1 3 335.282 2.591 20 5 EFBDHM COc1ccccc1O[C@@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596230248 479212880 /nfs/dbraw/zinc/21/28/80/479212880.db2.gz UWBQWTDALRZNIA-GFCCVEGCSA-N -1 3 345.355 2.752 20 5 EFBDHM CCOC(=O)c1sc(Sc2cc[n-]c(=O)c2[N+](=O)[O-])nc1C ZINC000596247739 479222294 /nfs/dbraw/zinc/22/22/94/479222294.db2.gz CLPOKNKPCHDGIC-UHFFFAOYSA-N -1 3 341.370 2.788 20 5 EFBDHM Cc1nc([N-]C(=O)c2c(F)cccc2[N+](=O)[O-])nc2c1CCCC2 ZINC000602233081 479248127 /nfs/dbraw/zinc/24/81/27/479248127.db2.gz INQHRRZWKCVHSK-UHFFFAOYSA-N -1 3 330.319 2.963 20 5 EFBDHM O=[N+]([O-])c1ccc([O-])cc1CN1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000611263423 479328752 /nfs/dbraw/zinc/32/87/52/479328752.db2.gz CPSYSCQAUSNWQC-HZPDHXFCSA-N -1 3 339.395 2.869 20 5 EFBDHM Cc1cc(SCCc2nnn[n-]2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000603395509 479368916 /nfs/dbraw/zinc/36/89/16/479368916.db2.gz GHLPNORSGVSOGT-UHFFFAOYSA-N -1 3 333.295 2.770 20 5 EFBDHM Cc1cc(SCCc2nn[n-]n2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000603395509 479368921 /nfs/dbraw/zinc/36/89/21/479368921.db2.gz GHLPNORSGVSOGT-UHFFFAOYSA-N -1 3 333.295 2.770 20 5 EFBDHM CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000603631493 479415206 /nfs/dbraw/zinc/41/52/06/479415206.db2.gz HELPLEOMXOVKEE-DGCLKSJQSA-N -1 3 342.417 2.851 20 5 EFBDHM CC(C)(C)c1ccc(C(=O)[N-]c2nn3cnnc3s2)cc1[N+](=O)[O-] ZINC000603873173 479442775 /nfs/dbraw/zinc/44/27/75/479442775.db2.gz HFDJVVQTFJDWPM-UHFFFAOYSA-N -1 3 346.372 2.644 20 5 EFBDHM O=C([O-])[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)Cc2ccccc21 ZINC000593743621 479443716 /nfs/dbraw/zinc/44/37/16/479443716.db2.gz GFVNLGYWWFUKOY-KRWDZBQOSA-N -1 3 342.351 2.658 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]C2(C(F)F)CCCC2)cc1[N+](=O)[O-] ZINC000588906266 479455881 /nfs/dbraw/zinc/45/58/81/479455881.db2.gz UMSDAQIGXUTPFN-UHFFFAOYSA-N -1 3 334.344 2.759 20 5 EFBDHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000604547275 479538628 /nfs/dbraw/zinc/53/86/28/479538628.db2.gz WIALPAOCJKYFAM-UHFFFAOYSA-N -1 3 349.310 2.509 20 5 EFBDHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000604547275 479538635 /nfs/dbraw/zinc/53/86/35/479538635.db2.gz WIALPAOCJKYFAM-UHFFFAOYSA-N -1 3 349.310 2.509 20 5 EFBDHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000604547275 479538640 /nfs/dbraw/zinc/53/86/40/479538640.db2.gz WIALPAOCJKYFAM-UHFFFAOYSA-N -1 3 349.310 2.509 20 5 EFBDHM Cc1cc(=O)[n-]c(C(C)(C)NCC=Cc2ccccc2[N+](=O)[O-])n1 ZINC000600181489 479567442 /nfs/dbraw/zinc/56/74/42/479567442.db2.gz QPLKPBNRBVXLEV-SOFGYWHQSA-N -1 3 328.372 2.937 20 5 EFBDHM Cc1cc(S(=O)(=O)[N-]Cc2ccccc2F)c(F)cc1[N+](=O)[O-] ZINC000590588910 479664143 /nfs/dbraw/zinc/66/41/43/479664143.db2.gz CLVULPBGNZEDMX-UHFFFAOYSA-N -1 3 342.323 2.660 20 5 EFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](C)c1ccccc1 ZINC000619472952 479804635 /nfs/dbraw/zinc/80/46/35/479804635.db2.gz QRPWAFXBDZTTIT-NSHDSACASA-N -1 3 336.369 2.643 20 5 EFBDHM Cc1[n-][nH]c(=O)c1CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000609620331 480188186 /nfs/dbraw/zinc/18/81/86/480188186.db2.gz UTOPFKUVPCJBOY-VIFPVBQESA-N -1 3 330.266 2.538 20 5 EFBDHM CCCn1ccc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000617431896 480216109 /nfs/dbraw/zinc/21/61/09/480216109.db2.gz QZNYDNBUSNKYFO-UHFFFAOYSA-N -1 3 337.401 2.593 20 5 EFBDHM COC(=O)c1cc([N-]C(=O)c2cnc(C3CC3)s2)cc([N+](=O)[O-])c1 ZINC000609885701 480217316 /nfs/dbraw/zinc/21/73/16/480217316.db2.gz YBHKLQCKQSDXHM-UHFFFAOYSA-N -1 3 347.352 2.968 20 5 EFBDHM CC[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000610136587 480242899 /nfs/dbraw/zinc/24/28/99/480242899.db2.gz RVSCPLVINIBCHT-VXGBXAGGSA-N -1 3 342.417 2.851 20 5 EFBDHM CC[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000610136553 480243060 /nfs/dbraw/zinc/24/30/60/480243060.db2.gz QIZFCSVJVUEZDV-QWRGUYRKSA-N -1 3 330.381 2.981 20 5 EFBDHM C[C@]1(c2ccccc2)C[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000610265621 480265924 /nfs/dbraw/zinc/26/59/24/480265924.db2.gz WWIIAAJTVCRSNW-HZPDHXFCSA-N -1 3 332.381 2.603 20 5 EFBDHM C[C@@H](C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1ccco1 ZINC000610337633 480283084 /nfs/dbraw/zinc/28/30/84/480283084.db2.gz ZSOIVTRZIRYARG-SNVBAGLBSA-N -1 3 326.312 2.742 20 5 EFBDHM COc1ccc([O-])c(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000088251987 524728422 /nfs/dbraw/zinc/72/84/22/524728422.db2.gz LKSIWENPHCRFIF-UHFFFAOYSA-N -1 3 328.324 2.508 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-][C@H]2CC23CCCCC3)c([N+](=O)[O-])c1 ZINC000180001157 525075038 /nfs/dbraw/zinc/07/50/38/525075038.db2.gz LBOXBHQAVOGJIR-AWEZNQCLSA-N -1 3 340.401 2.605 20 5 EFBDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2n[nH]c(-c3ccc(C)o3)n2)c1 ZINC000181878374 525449254 /nfs/dbraw/zinc/44/92/54/525449254.db2.gz PRNLXLKPXQTNAG-UHFFFAOYSA-N -1 3 343.299 2.542 20 5 EFBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccncc2F)c1C ZINC000180168044 525558059 /nfs/dbraw/zinc/55/80/59/525558059.db2.gz LGMQLPDQNAUXRR-UHFFFAOYSA-N -1 3 325.321 2.547 20 5 EFBDHM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(F)c1F ZINC000119053134 525579613 /nfs/dbraw/zinc/57/96/13/525579613.db2.gz GOAQKXWQDHLHKJ-SECBINFHSA-N -1 3 342.323 2.913 20 5 EFBDHM CC(C)N(C)c1cccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000346212080 535031919 /nfs/dbraw/zinc/03/19/19/535031919.db2.gz PJPNSGWJJUMIRM-UHFFFAOYSA-N -1 3 330.344 2.792 20 5 EFBDHM CCc1ccnc(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1 ZINC000435617027 536011936 /nfs/dbraw/zinc/01/19/36/536011936.db2.gz NXGSPBVWZAAZJM-UHFFFAOYSA-N -1 3 349.412 2.648 20 5 EFBDHM CCc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000471674278 546263863 /nfs/dbraw/zinc/26/38/63/546263863.db2.gz QKFFCDWQLKBUGP-UHFFFAOYSA-N -1 3 338.327 2.590 20 5 EFBDHM CCc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000471674278 546263871 /nfs/dbraw/zinc/26/38/71/546263871.db2.gz QKFFCDWQLKBUGP-UHFFFAOYSA-N -1 3 338.327 2.590 20 5 EFBDHM COc1cc(C(=O)OCc2cccc([N+](=O)[O-])c2)cc(OC)c1[O-] ZINC000754275711 575414200 /nfs/dbraw/zinc/41/42/00/575414200.db2.gz JLGZBUXOCKZSMC-UHFFFAOYSA-N -1 3 333.296 2.675 20 5 EFBDHM Cc1[n-]ncc1S(=O)(=O)Oc1ccc([N+](=O)[O-])c2ccccc12 ZINC000757362390 575838229 /nfs/dbraw/zinc/83/82/29/575838229.db2.gz RTJGCGXKMYIHCC-UHFFFAOYSA-N -1 3 333.325 2.547 20 5 EFBDHM Cc1cc([O-])ccc1C(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000758531527 575871706 /nfs/dbraw/zinc/87/17/06/575871706.db2.gz OHYMQYJEKOVQCM-UHFFFAOYSA-N -1 3 348.286 2.543 20 5 EFBDHM COc1ccc(OCCOC(=O)c2ccc([O-])cc2C)c([N+](=O)[O-])c1 ZINC000758545870 575872214 /nfs/dbraw/zinc/87/22/14/575872214.db2.gz IMBWVNOTBDUFPB-UHFFFAOYSA-N -1 3 347.323 2.853 20 5 EFBDHM CCOc1cc(NC([O-])=NOCC(F)F)c([N+](=O)[O-])cc1OCC ZINC000759930485 575957109 /nfs/dbraw/zinc/95/71/09/575957109.db2.gz YJWOXRHIACQAPO-UHFFFAOYSA-N -1 3 349.290 2.710 20 5 EFBDHM CCOc1cc(NC(=O)[N-]OCC(F)F)c([N+](=O)[O-])cc1OCC ZINC000759930485 575957113 /nfs/dbraw/zinc/95/71/13/575957113.db2.gz YJWOXRHIACQAPO-UHFFFAOYSA-N -1 3 349.290 2.710 20 5 EFBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)c2cccc([O-])c2)c1F ZINC000760357588 576011386 /nfs/dbraw/zinc/01/13/86/576011386.db2.gz WOPOWEJQTPWANI-UHFFFAOYSA-N -1 3 340.332 2.573 20 5 EFBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CC2(c3ccccc3)CC2)cs1 ZINC000768803576 577304041 /nfs/dbraw/zinc/30/40/41/577304041.db2.gz OODQRVPASWXINJ-UHFFFAOYSA-N -1 3 338.410 2.666 20 5 EFBDHM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768891021 577314429 /nfs/dbraw/zinc/31/44/29/577314429.db2.gz KYDGZTNWJWHLOA-LURJTMIESA-N -1 3 332.325 2.666 20 5 EFBDHM CC(C)O[C@@H]1C[C@H]([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)C1(C)C ZINC000768893291 577314924 /nfs/dbraw/zinc/31/49/24/577314924.db2.gz YVOYVVIFEQOMCC-WDEREUQCSA-N -1 3 348.446 2.527 20 5 EFBDHM COc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1F ZINC000769890958 577391934 /nfs/dbraw/zinc/39/19/34/577391934.db2.gz REDNLNCEYRYRKS-UHFFFAOYSA-N -1 3 340.332 2.852 20 5 EFBDHM COc1cc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)ccc1[N+](=O)[O-] ZINC000726916338 577417093 /nfs/dbraw/zinc/41/70/93/577417093.db2.gz PSIRHVCWFQVNDK-UHFFFAOYSA-N -1 3 335.247 2.903 20 5 EFBDHM Cc1cc(F)cc(C(=O)[N-]c2nncn2-c2ccccc2)c1[N+](=O)[O-] ZINC000770442910 577418709 /nfs/dbraw/zinc/41/87/09/577418709.db2.gz JDZANMIOJGJDLZ-UHFFFAOYSA-N -1 3 341.302 2.875 20 5 EFBDHM O=[N+]([O-])c1ccc(NC([O-])=NOCC(F)F)cc1C(F)(F)F ZINC000771767951 581240729 /nfs/dbraw/zinc/24/07/29/581240729.db2.gz YGGJGSDEMOTYTO-UHFFFAOYSA-N -1 3 329.181 2.932 20 5 EFBDHM O=C([N-]OCC(F)F)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000771767951 581240730 /nfs/dbraw/zinc/24/07/30/581240730.db2.gz YGGJGSDEMOTYTO-UHFFFAOYSA-N -1 3 329.181 2.932 20 5 EFBDHM CC(=O)Nc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2[O-])c(F)c1 ZINC000773210357 581405801 /nfs/dbraw/zinc/40/58/01/581405801.db2.gz XNWRYAGRMLISNY-UHFFFAOYSA-N -1 3 334.259 2.617 20 5 EFBDHM O=C(Oc1ccc2c(c1)CCCC(=O)N2)c1ccc([N+](=O)[O-])cc1[O-] ZINC000773545009 581443020 /nfs/dbraw/zinc/44/30/20/581443020.db2.gz PZQBLJFDZHYQTK-UHFFFAOYSA-N -1 3 342.307 2.794 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC2(C1)CCCCC2 ZINC000823630243 599051532 /nfs/dbraw/zinc/05/15/32/599051532.db2.gz TYUDOXFXXCTMBN-UHFFFAOYSA-N -1 3 328.376 2.936 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC2(C1)CCCCC2 ZINC000823630243 599051533 /nfs/dbraw/zinc/05/15/33/599051533.db2.gz TYUDOXFXXCTMBN-UHFFFAOYSA-N -1 3 328.376 2.936 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@@H]1c1cccc(F)c1 ZINC000823629652 599091098 /nfs/dbraw/zinc/09/10/98/599091098.db2.gz DHANSOTVMAVMSX-CYBMUJFWSA-N -1 3 340.318 2.865 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@@H]1c1cccc(F)c1 ZINC000823629652 599091101 /nfs/dbraw/zinc/09/11/01/599091101.db2.gz DHANSOTVMAVMSX-CYBMUJFWSA-N -1 3 340.318 2.865 20 5 EFBDHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000820770171 599095786 /nfs/dbraw/zinc/09/57/86/599095786.db2.gz ZFSMVIMDFFPYLK-BZNIZROVSA-N -1 3 336.355 2.972 20 5 EFBDHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000820770171 599095789 /nfs/dbraw/zinc/09/57/89/599095789.db2.gz ZFSMVIMDFFPYLK-BZNIZROVSA-N -1 3 336.355 2.972 20 5 EFBDHM Cc1ccc(C)c(Sc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000822231680 599150847 /nfs/dbraw/zinc/15/08/47/599150847.db2.gz CURMBOUHOHFMLA-UHFFFAOYSA-N -1 3 328.357 2.938 20 5 EFBDHM Cc1sc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1[N+](=O)[O-] ZINC000822553825 607267554 /nfs/dbraw/zinc/26/75/54/607267554.db2.gz RPJNSKWRRNBXOQ-UHFFFAOYSA-N -1 3 344.356 2.706 20 5 EFBDHM Cc1sc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1[N+](=O)[O-] ZINC000822553825 607267555 /nfs/dbraw/zinc/26/75/55/607267555.db2.gz RPJNSKWRRNBXOQ-UHFFFAOYSA-N -1 3 344.356 2.706 20 5 EFBDHM O=[N+]([O-])c1ccc(NCCC[C@@H]2CCCC[C@@H]2O)c(-c2nnn[n-]2)c1 ZINC000823640271 607306474 /nfs/dbraw/zinc/30/64/74/607306474.db2.gz ZQTSXSGHTCQAPX-NHYWBVRUSA-N -1 3 346.391 2.518 20 5 EFBDHM O=[N+]([O-])c1ccc(NCCC[C@@H]2CCCC[C@@H]2O)c(-c2nn[n-]n2)c1 ZINC000823640271 607306475 /nfs/dbraw/zinc/30/64/75/607306475.db2.gz ZQTSXSGHTCQAPX-NHYWBVRUSA-N -1 3 346.391 2.518 20 5 EFBDHM C[C@H](OC(=O)c1csc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736162254 598487880 /nfs/dbraw/zinc/48/78/80/598487880.db2.gz BWZDEFIUAUFVLS-QMMMGPOBSA-N -1 3 345.340 2.754 20 5 EFBDHM C[C@H](OC(=O)c1csc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736162254 598487882 /nfs/dbraw/zinc/48/78/82/598487882.db2.gz BWZDEFIUAUFVLS-QMMMGPOBSA-N -1 3 345.340 2.754 20 5 EFBDHM CCS[C@@H]1CCCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736668154 598749329 /nfs/dbraw/zinc/74/93/29/598749329.db2.gz XXPPDYKKTOQGPW-GFCCVEGCSA-N -1 3 348.432 2.887 20 5 EFBDHM CCS[C@@H]1CCCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736668154 598749330 /nfs/dbraw/zinc/74/93/30/598749330.db2.gz XXPPDYKKTOQGPW-GFCCVEGCSA-N -1 3 348.432 2.887 20 5 EFBDHM CN(Cc1cccc(-c2nnn[n-]2)c1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000736821311 598759382 /nfs/dbraw/zinc/75/93/82/598759382.db2.gz CSJZZBNQMRJTRK-UHFFFAOYSA-N -1 3 342.334 2.546 20 5 EFBDHM CN(Cc1cccc(-c2nn[n-]n2)c1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000736821311 598759383 /nfs/dbraw/zinc/75/93/83/598759383.db2.gz CSJZZBNQMRJTRK-UHFFFAOYSA-N -1 3 342.334 2.546 20 5 EFBDHM CC1(C)C[C@@H]1CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820590032 599553609 /nfs/dbraw/zinc/55/36/09/599553609.db2.gz PJIDXUPAHMYWNN-SECBINFHSA-N -1 3 339.359 2.781 20 5 EFBDHM CC1(C)C[C@@H]1CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820590032 599553612 /nfs/dbraw/zinc/55/36/12/599553612.db2.gz PJIDXUPAHMYWNN-SECBINFHSA-N -1 3 339.359 2.781 20 5 EFBDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)c1c(F)cc([N+](=O)[O-])cc1F ZINC000825961365 607464612 /nfs/dbraw/zinc/46/46/12/607464612.db2.gz DNQJKAAGOCMCRP-UHFFFAOYSA-N -1 3 346.297 2.690 20 5 EFBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)c1c(F)cc([N+](=O)[O-])cc1F ZINC000825961365 607464613 /nfs/dbraw/zinc/46/46/13/607464613.db2.gz DNQJKAAGOCMCRP-UHFFFAOYSA-N -1 3 346.297 2.690 20 5 EFBDHM CN(Cc1cccc(-c2nnn[n-]2)c1)c1c(F)cc([N+](=O)[O-])cc1F ZINC000825976974 607464875 /nfs/dbraw/zinc/46/48/75/607464875.db2.gz UFTDGLJEUZJHIE-UHFFFAOYSA-N -1 3 346.297 2.690 20 5 EFBDHM CN(Cc1cccc(-c2nn[n-]n2)c1)c1c(F)cc([N+](=O)[O-])cc1F ZINC000825976974 607464876 /nfs/dbraw/zinc/46/48/76/607464876.db2.gz UFTDGLJEUZJHIE-UHFFFAOYSA-N -1 3 346.297 2.690 20 5 EFBDHM O=C([O-])[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000833167122 600749769 /nfs/dbraw/zinc/74/97/69/600749769.db2.gz XZMBBIPSCAPOQW-OAHLLOKOSA-N -1 3 334.303 2.528 20 5 EFBDHM O=C([O-])[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000833167121 600749785 /nfs/dbraw/zinc/74/97/85/600749785.db2.gz XZMBBIPSCAPOQW-HNNXBMFYSA-N -1 3 334.303 2.528 20 5 EFBDHM C[C@@H]1C[C@@H](Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CN1C1CC1 ZINC000828184094 601562189 /nfs/dbraw/zinc/56/21/89/601562189.db2.gz NSCZJSUAHCVKDD-OMCWZWAOSA-N -1 3 331.372 2.730 20 5 EFBDHM C[C@@H]1C[C@@H](Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CN1C1CC1 ZINC000828184092 601562335 /nfs/dbraw/zinc/56/23/35/601562335.db2.gz NSCZJSUAHCVKDD-JKEYLAGBSA-N -1 3 331.372 2.730 20 5 EFBDHM O=C([O-])CCN(Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000833233124 604789135 /nfs/dbraw/zinc/78/91/35/604789135.db2.gz BHUNPIBIFAEISH-LBPRGKRZSA-N -1 3 342.779 2.704 20 5 EFBDHM COc1cc(C)cc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000826178486 607729988 /nfs/dbraw/zinc/72/99/88/607729988.db2.gz ZTFOMUWLKDDONQ-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM COc1cc(C)cc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000826178486 607729990 /nfs/dbraw/zinc/72/99/90/607729990.db2.gz ZTFOMUWLKDDONQ-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM Cc1cc([N+](=O)[O-])ccc1OCc1cc(-c2nnn[n-]2)ccc1F ZINC000826272731 607862826 /nfs/dbraw/zinc/86/28/26/607862826.db2.gz YOTHLSKJTKFGED-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1cc([N+](=O)[O-])ccc1OCc1cc(-c2nn[n-]n2)ccc1F ZINC000826272731 607862827 /nfs/dbraw/zinc/86/28/27/607862827.db2.gz YOTHLSKJTKFGED-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM CC(C)(C)[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC000824077416 608149233 /nfs/dbraw/zinc/14/92/33/608149233.db2.gz BDVZZSWGWLXJAM-HZMBPMFUSA-N -1 3 346.391 2.781 20 5 EFBDHM CC(C)(C)[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO1 ZINC000824077416 608149234 /nfs/dbraw/zinc/14/92/34/608149234.db2.gz BDVZZSWGWLXJAM-HZMBPMFUSA-N -1 3 346.391 2.781 20 5 EFBDHM CC1(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)CCC1 ZINC000824782976 608162669 /nfs/dbraw/zinc/16/26/69/608162669.db2.gz BFWUCBPTBIHERT-UHFFFAOYSA-N -1 3 336.739 2.557 20 5 EFBDHM CC1(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)CCC1 ZINC000824782976 608162670 /nfs/dbraw/zinc/16/26/70/608162670.db2.gz BFWUCBPTBIHERT-UHFFFAOYSA-N -1 3 336.739 2.557 20 5 EFBDHM COc1cc(F)c([N+](=O)[O-])c(NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826180156 608175923 /nfs/dbraw/zinc/17/59/23/608175923.db2.gz UZAAWGREROGTPN-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM COc1cc(F)c([N+](=O)[O-])c(NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826180156 608175924 /nfs/dbraw/zinc/17/59/24/608175924.db2.gz UZAAWGREROGTPN-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM COc1cc(-c2nnn[n-]2)ccc1COc1ccc(F)cc1[N+](=O)[O-] ZINC000826173038 608263570 /nfs/dbraw/zinc/26/35/70/608263570.db2.gz KHIUJNBTLHKUMP-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1cc(-c2nn[n-]n2)ccc1COc1ccc(F)cc1[N+](=O)[O-] ZINC000826173038 608263571 /nfs/dbraw/zinc/26/35/71/608263571.db2.gz KHIUJNBTLHKUMP-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM Cc1ccsc1CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826316445 608294401 /nfs/dbraw/zinc/29/44/01/608294401.db2.gz OMBFCPVFBSPDNR-UHFFFAOYSA-N -1 3 330.373 2.799 20 5 EFBDHM Cc1ccsc1CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826316445 608294403 /nfs/dbraw/zinc/29/44/03/608294403.db2.gz OMBFCPVFBSPDNR-UHFFFAOYSA-N -1 3 330.373 2.799 20 5 EFBDHM Cc1cc2c(cc1[N+](=O)[O-])N(Cc1ccccc1-c1nnn[n-]1)CC2 ZINC000826273157 608384871 /nfs/dbraw/zinc/38/48/71/608384871.db2.gz RSKLDCWQOGGUFI-UHFFFAOYSA-N -1 3 336.355 2.646 20 5 EFBDHM Cc1cc2c(cc1[N+](=O)[O-])N(Cc1ccccc1-c1nn[n-]n1)CC2 ZINC000826273157 608384874 /nfs/dbraw/zinc/38/48/74/608384874.db2.gz RSKLDCWQOGGUFI-UHFFFAOYSA-N -1 3 336.355 2.646 20 5 EFBDHM CN1CCc2ccc(Nc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)cc21 ZINC000826045251 608586774 /nfs/dbraw/zinc/58/67/74/608586774.db2.gz SRMJWLGWJXKTOS-UHFFFAOYSA-N -1 3 337.343 2.511 20 5 EFBDHM CN1CCc2ccc(Nc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)cc21 ZINC000826045251 608586776 /nfs/dbraw/zinc/58/67/76/608586776.db2.gz SRMJWLGWJXKTOS-UHFFFAOYSA-N -1 3 337.343 2.511 20 5 EFBDHM O=[N+]([O-])c1ccc(F)cc1OCc1cccc(-c2nnn[n-]2)c1F ZINC000826498413 608670096 /nfs/dbraw/zinc/67/00/96/608670096.db2.gz TVTGGIWZEGUAGA-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1ccc(F)cc1OCc1cccc(-c2nn[n-]n2)c1F ZINC000826498413 608670097 /nfs/dbraw/zinc/67/00/97/608670097.db2.gz TVTGGIWZEGUAGA-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000826263557 609384891 /nfs/dbraw/zinc/38/48/91/609384891.db2.gz HGAKIYYBHLRHOG-NSHDSACASA-N -1 3 339.359 2.960 20 5 EFBDHM Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000826263557 609384893 /nfs/dbraw/zinc/38/48/93/609384893.db2.gz HGAKIYYBHLRHOG-NSHDSACASA-N -1 3 339.359 2.960 20 5 EFBDHM Cc1cc(C)c([N+](=O)[O-])c(NCc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000826263645 609385152 /nfs/dbraw/zinc/38/51/52/609385152.db2.gz LGGUHWOOMIVTFY-UHFFFAOYSA-N -1 3 343.322 2.538 20 5 EFBDHM Cc1cc(C)c([N+](=O)[O-])c(NCc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000826263645 609385154 /nfs/dbraw/zinc/38/51/54/609385154.db2.gz LGGUHWOOMIVTFY-UHFFFAOYSA-N -1 3 343.322 2.538 20 5 EFBDHM COc1ccc(-c2nnn[n-]2)cc1NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000826186714 609483844 /nfs/dbraw/zinc/48/38/44/609483844.db2.gz HWSAHWNIHAOLHS-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM COc1ccc(-c2nn[n-]n2)cc1NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000826186714 609483846 /nfs/dbraw/zinc/48/38/46/609483846.db2.gz HWSAHWNIHAOLHS-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM COc1cc(CNCc2nc3c(s2)CCC3)c([N+](=O)[O-])cc1[O-] ZINC000922470423 1266084326 /nfs/dbraw/zinc/08/43/26/1266084326.db2.gz PPLWIRIRUZAGRS-UHFFFAOYSA-N -1 3 335.385 2.544 20 5 EFBDHM CCCCC(=O)NCCC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001089905231 1257255070 /nfs/dbraw/zinc/25/50/70/1257255070.db2.gz MSDVUFGIYHPQQO-UHFFFAOYSA-N -1 3 336.392 2.584 20 5 EFBDHM CC/C(C)=C/C(=O)NCCC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001089934592 1259666676 /nfs/dbraw/zinc/66/66/76/1259666676.db2.gz VGMBYGMIOJJVLS-ZRDIBKRKSA-N -1 3 348.403 2.750 20 5 EFBDHM NCc1ccc([N-]c2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])cn1 ZINC001160401754 1278698271 /nfs/dbraw/zinc/69/82/71/1278698271.db2.gz ABPGEAGXUSCEIR-UHFFFAOYSA-N -1 3 348.672 2.654 20 5 EFBDHM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768891023 1274232254 /nfs/dbraw/zinc/23/22/54/1274232254.db2.gz KYDGZTNWJWHLOA-ZCFIWIBFSA-N -1 3 332.325 2.666 20 5 EFBDHM CCC1(C(=O)N(C)CCCNc2cc[n-]c(=O)c2[N+](=O)[O-])CCC1 ZINC001109588146 1274451033 /nfs/dbraw/zinc/45/10/33/1274451033.db2.gz QKAQQGKEXBVSQB-UHFFFAOYSA-N -1 3 336.392 2.536 20 5 EFBDHM CCCC1(C(=O)N(C)CCCNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001109607563 1274474521 /nfs/dbraw/zinc/47/45/21/1274474521.db2.gz DWFCIVHVLDEYQH-UHFFFAOYSA-N -1 3 336.392 2.536 20 5 EFBDHM O=C(NCC1(Nc2ccc(F)cc2[N+](=O)[O-])CC1)c1ccccc1[O-] ZINC001110075797 1275096355 /nfs/dbraw/zinc/09/63/55/1275096355.db2.gz OGPHEBZWNPGGPI-UHFFFAOYSA-N -1 3 345.330 2.814 20 5 EFBDHM CN(CC(C)(C)CNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C1CC=CC1 ZINC001113412723 1277762279 /nfs/dbraw/zinc/76/22/79/1277762279.db2.gz MJERCJDXOYPCAO-UHFFFAOYSA-N -1 3 348.403 2.558 20 5 EFBDHM CN(CC(C)(C)CNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)/C=C/C1CC1 ZINC001113413812 1277797722 /nfs/dbraw/zinc/79/77/22/1277797722.db2.gz SDWRRUAIJGGSJK-VOTSOKGWSA-N -1 3 348.403 2.558 20 5 EFBDHM CN(CC(C)(C)CNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C=C1CCC1 ZINC001113415833 1277804268 /nfs/dbraw/zinc/80/42/68/1277804268.db2.gz UTTYEEMDFOVCQB-UHFFFAOYSA-N -1 3 348.403 2.702 20 5 EFBDHM Cc1c(C(=O)[N-]c2ncn(C(C)C)n2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000844727492 1279205102 /nfs/dbraw/zinc/20/51/02/1279205102.db2.gz HARNYFQHHPRHNH-UHFFFAOYSA-N -1 3 348.319 2.545 20 5 EFBDHM C=C/C(C)=C/CC(=O)NC[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001091388124 1280502417 /nfs/dbraw/zinc/50/24/17/1280502417.db2.gz RMGBOOXUVJZTQE-FWXODLJWSA-N -1 3 346.387 2.525 20 5 EFBDHM C[C@@H](C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)CC(F)(F)F ZINC000841562786 1280824011 /nfs/dbraw/zinc/82/40/11/1280824011.db2.gz COWJXHNXZGTCTB-ZCFIWIBFSA-N -1 3 332.325 2.523 20 5 EFBDHM COc1cccc2c(C(=O)OCc3ccc([N+](=O)[O-])c(F)c3)n[n-]c21 ZINC000808672734 1281857099 /nfs/dbraw/zinc/85/70/99/1281857099.db2.gz DGKCQKYDEYWODL-UHFFFAOYSA-N -1 3 345.286 2.976 20 5 EFBDHM COc1cccc2c(C(=O)OCc3ccc([N+](=O)[O-])c(F)c3)[n-]nc21 ZINC000808672734 1281857110 /nfs/dbraw/zinc/85/71/10/1281857110.db2.gz DGKCQKYDEYWODL-UHFFFAOYSA-N -1 3 345.286 2.976 20 5 EFBDHM COc1cccc2c(C(=O)OCc3cc(F)ccc3[N+](=O)[O-])n[n-]c21 ZINC000808675444 1281859826 /nfs/dbraw/zinc/85/98/26/1281859826.db2.gz GXMLJPLBMYGYNW-UHFFFAOYSA-N -1 3 345.286 2.976 20 5 EFBDHM COc1cccc2c(C(=O)OCc3cc(F)ccc3[N+](=O)[O-])[n-]nc21 ZINC000808675444 1281859830 /nfs/dbraw/zinc/85/98/30/1281859830.db2.gz GXMLJPLBMYGYNW-UHFFFAOYSA-N -1 3 345.286 2.976 20 5 EFBDHM CCCCCC(C)(C)C(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093661673 1284351910 /nfs/dbraw/zinc/35/19/10/1284351910.db2.gz CWSHSLSMITUVTL-UHFFFAOYSA-N -1 3 338.408 2.830 20 5 EFBDHM CC(C)(C)CCCC(=O)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094335029 1284939901 /nfs/dbraw/zinc/93/99/01/1284939901.db2.gz CGSOUOAYZIDSNX-UHFFFAOYSA-N -1 3 338.408 2.830 20 5 EFBDHM O=C(NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CCC2(CC2)CC1 ZINC001094674759 1285462463 /nfs/dbraw/zinc/46/24/63/1285462463.db2.gz DTURCNYBBITRKI-UHFFFAOYSA-N -1 3 348.403 2.584 20 5 EFBDHM CC(C)CC(=O)NCCCCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094916956 1286162115 /nfs/dbraw/zinc/16/21/15/1286162115.db2.gz HHAMOICKELAEAS-UHFFFAOYSA-N -1 3 338.408 2.830 20 5 EFBDHM O=C([N-]c1n[nH]c2ccc([N+](=O)[O-])cc21)c1conc1C(F)(F)F ZINC000816955818 1288340118 /nfs/dbraw/zinc/34/01/18/1288340118.db2.gz NACGUOLOUVJQSU-UHFFFAOYSA-N -1 3 341.205 2.730 20 5 EFBDHM O=[N+]([O-])c1ccc([N-]c2nc(Br)cnc2Cl)cn1 ZINC001203566482 1290336478 /nfs/dbraw/zinc/33/64/78/1290336478.db2.gz JSSPGOQWPQPPLG-UHFFFAOYSA-N -1 3 330.529 2.939 20 5 EFBDHM COc1cc(C)ccc1-c1noc(-c2cc([N+](=O)[O-])c[n-]c2=O)n1 ZINC001212935579 1290901772 /nfs/dbraw/zinc/90/17/72/1290901772.db2.gz BHOLKWGRSQVVGN-UHFFFAOYSA-N -1 3 328.284 2.729 20 5 EFBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nc(-c2cccc3cccnc32)no1 ZINC001212937012 1290905119 /nfs/dbraw/zinc/90/51/19/1290905119.db2.gz JHTQBPUDDBYXNQ-UHFFFAOYSA-N -1 3 335.279 2.961 20 5 EFBDHM O=[N+]([O-])C[C@H](Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1)C1CC1 ZINC001233497115 1312943103 /nfs/dbraw/zinc/94/31/03/1312943103.db2.gz FGARDJFKFMFTRF-NSHDSACASA-N -1 3 326.696 2.559 20 5 EFBDHM CO[C@@H](C)CO[C@H](C)COc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233505675 1312946137 /nfs/dbraw/zinc/94/61/37/1312946137.db2.gz CTBIHHQCAYLLMR-DTWKUNHWSA-N -1 3 343.767 2.943 20 5 EFBDHM CO[C@@H](C)CO[C@H](C)COc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233505675 1312946141 /nfs/dbraw/zinc/94/61/41/1312946141.db2.gz CTBIHHQCAYLLMR-DTWKUNHWSA-N -1 3 343.767 2.943 20 5 EFBDHM COC[C@@H](C)OC[C@H](C)Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233505768 1312946793 /nfs/dbraw/zinc/94/67/93/1312946793.db2.gz GFWVNYGGWUNNED-BDAKNGLRSA-N -1 3 343.767 2.943 20 5 EFBDHM O=[N+]([O-])c1ccc2nc(NCc3nc(C(F)(F)F)n[n-]3)sc2c1 ZINC000775541978 1292987393 /nfs/dbraw/zinc/98/73/93/1292987393.db2.gz ITVDXLJOCOTQEO-UHFFFAOYSA-N -1 3 344.278 2.954 20 5 EFBDHM COCc1nc(C(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)cs1 ZINC000800147882 1293931909 /nfs/dbraw/zinc/93/19/09/1293931909.db2.gz ZHHKZYWCWFWLON-UHFFFAOYSA-N -1 3 325.321 2.898 20 5 EFBDHM O=c1[n-]cc(-c2nc(-c3cccc4ccncc43)no2)cc1[N+](=O)[O-] ZINC001212844450 1295540479 /nfs/dbraw/zinc/54/04/79/1295540479.db2.gz UQZIDKPKEMLMNY-UHFFFAOYSA-N -1 3 335.279 2.961 20 5 EFBDHM CSc1nnc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(SC)n1 ZINC001199801681 1295760903 /nfs/dbraw/zinc/76/09/03/1295760903.db2.gz GJAADLCCSVOZKD-UHFFFAOYSA-N -1 3 325.375 2.673 20 5 EFBDHM C[C@@H](O)CCCC(=O)Oc1c([O-])cc(Br)cc1[N+](=O)[O-] ZINC001234876687 1313201685 /nfs/dbraw/zinc/20/16/85/1313201685.db2.gz JBDSSDZKOBFFPB-SSDOTTSWSA-N -1 3 348.149 2.519 20 5 EFBDHM COc1cc2nc[nH]c(=O)c2cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201229224 1296638217 /nfs/dbraw/zinc/63/82/17/1296638217.db2.gz IIBOLMFJYLPQPU-UHFFFAOYSA-N -1 3 328.284 2.701 20 5 EFBDHM Cc1cccc(-c2noc(-c3[n-]nc(C(F)(F)F)c3[N+](=O)[O-])n2)n1 ZINC001212972725 1297307797 /nfs/dbraw/zinc/30/77/97/1297307797.db2.gz HAIVSKVHEXRTIB-UHFFFAOYSA-N -1 3 340.221 2.757 20 5 EFBDHM Cc1cccnc1-c1noc(-c2[n-]nc(C(F)(F)F)c2[N+](=O)[O-])n1 ZINC001212973172 1297333415 /nfs/dbraw/zinc/33/34/15/1297333415.db2.gz UDDXSXPSNYJCGU-UHFFFAOYSA-N -1 3 340.221 2.757 20 5 EFBDHM O=C(Nc1ncccc1[O-])c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000194833827 1298602741 /nfs/dbraw/zinc/60/27/41/1298602741.db2.gz PCRVYFCMAVEZDS-UHFFFAOYSA-N -1 3 328.328 2.548 20 5 EFBDHM O=c1[n-]ccc(NCc2cccnc2N2CCCCC2)c1[N+](=O)[O-] ZINC000853233176 1300059156 /nfs/dbraw/zinc/05/91/56/1300059156.db2.gz AWOAXLDRGUZYEY-UHFFFAOYSA-N -1 3 329.360 2.693 20 5 EFBDHM CC(C)(C)OC(=O)N1CCC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000853336559 1300088123 /nfs/dbraw/zinc/08/81/23/1300088123.db2.gz DQQIGBFBKGIJMM-JTQLQIEISA-N -1 3 338.364 2.507 20 5 EFBDHM COC(CCCC(C)(C)CNc1cc[n-]c(=O)c1[N+](=O)[O-])OC ZINC000853484030 1300132417 /nfs/dbraw/zinc/13/24/17/1300132417.db2.gz VUFPWTGXNLPZBU-UHFFFAOYSA-N -1 3 327.381 2.923 20 5 EFBDHM CCN(C(=O)OC(C)(C)C)[C@H](C)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000853560983 1300167074 /nfs/dbraw/zinc/16/70/74/1300167074.db2.gz UKGCUTZNGWUWED-SNVBAGLBSA-N -1 3 340.380 2.753 20 5 EFBDHM Cc1ccc(N2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)c(C)c1 ZINC000853979319 1300372263 /nfs/dbraw/zinc/37/22/63/1300372263.db2.gz RCKDCOMHXFAXCZ-UHFFFAOYSA-N -1 3 328.372 2.639 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000854511219 1300600067 /nfs/dbraw/zinc/60/00/67/1300600067.db2.gz RGXFBHLRFFOJPC-UHFFFAOYSA-N -1 3 330.344 2.505 20 5 EFBDHM CCCCCCC(=O)N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001097026605 1313809142 /nfs/dbraw/zinc/80/91/42/1313809142.db2.gz CULCMVOUPDLRGQ-HAQNSBGRSA-N -1 3 336.392 2.725 20 5 EFBDHM CCC(=CC(=O)N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1)CC ZINC001097169358 1313889231 /nfs/dbraw/zinc/88/92/31/1313889231.db2.gz BFVZERNTKRQNSG-TXEJJXNPSA-N -1 3 334.376 2.501 20 5 EFBDHM COc1cccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)c1 ZINC000800929864 1308689911 /nfs/dbraw/zinc/68/99/11/1308689911.db2.gz RWSSVKINPJABDD-UHFFFAOYSA-N -1 3 326.305 2.543 20 5 EFBDHM O=[N+]([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000014256455 1311052984 /nfs/dbraw/zinc/05/29/84/1311052984.db2.gz NAUARQNFEIBBTF-UHFFFAOYSA-N -1 3 332.259 2.813 20 5 EFBDHM O=[N+]([O-])c1cc(-c2ccc(NCc3ncccc3[O-])nn2)ccc1F ZINC001158775595 1311385675 /nfs/dbraw/zinc/38/56/75/1311385675.db2.gz HBSPOZQQZHBBJW-UHFFFAOYSA-N -1 3 341.302 2.904 20 5 EFBDHM O=C(OCc1ccccc1)[C@H]1C[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225663863 1311561872 /nfs/dbraw/zinc/56/18/72/1311561872.db2.gz HVUUOAGJCLCUEB-BETUJISGSA-N -1 3 344.323 2.596 20 5 EFBDHM Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1[n-]c(=S)ncc1C1CC1 ZINC001226118903 1311616025 /nfs/dbraw/zinc/61/60/25/1311616025.db2.gz KAJAYGFMGLWHLF-QMMMGPOBSA-N -1 3 335.389 2.523 20 5 EFBDHM CCc1c(C)nc2n(c1=O)CCC[C@H]2Oc1c([O-])cccc1[N+](=O)[O-] ZINC001226332560 1311650263 /nfs/dbraw/zinc/65/02/63/1311650263.db2.gz CELBEOKWLIZOSS-CQSZACIVSA-N -1 3 345.355 2.642 20 5 EFBDHM CCc1nc(O[C@H](C)c2cc3c(cc2[N+](=O)[O-])OCO3)cc(=O)[n-]1 ZINC001226473409 1311673462 /nfs/dbraw/zinc/67/34/62/1311673462.db2.gz WYHYHEIVYDOSQO-MRVPVSSYSA-N -1 3 333.300 2.522 20 5 EFBDHM CC/C=C\CCOC(=O)[C@@H](C)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227689991 1311839911 /nfs/dbraw/zinc/83/99/11/1311839911.db2.gz DHMPKCDTSIVTEK-UMCURTJPSA-N -1 3 334.332 2.533 20 5 EFBDHM CC(C)[C@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)C(=O)OC(C)(C)C ZINC001227689751 1311840046 /nfs/dbraw/zinc/84/00/46/1311840046.db2.gz CYXGSXGOJVBJRR-LBPRGKRZSA-N -1 3 336.348 2.611 20 5 EFBDHM C[C@H](COCc1ccccc1)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227691729 1311840054 /nfs/dbraw/zinc/84/00/54/1311840054.db2.gz PWYZEELCAQNWDB-LLVKDONJSA-N -1 3 328.328 2.850 20 5 EFBDHM CC(C)C[C@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)C(=O)OC(C)C ZINC001227693184 1311840652 /nfs/dbraw/zinc/84/06/52/1311840652.db2.gz NNFHZAKMYINURY-NSHDSACASA-N -1 3 336.348 2.611 20 5 EFBDHM COc1ccc2c(c1)CC[C@H](Oc1ncc([N+](=O)[O-])c3nc[n-]c31)C2 ZINC001227695180 1311840979 /nfs/dbraw/zinc/84/09/79/1311840979.db2.gz MKYIFFKFJMFKCB-ZDUSSCGKSA-N -1 3 340.339 2.811 20 5 EFBDHM COC(=O)[C@@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)c1cccc(F)c1 ZINC001227742619 1311848626 /nfs/dbraw/zinc/84/86/26/1311848626.db2.gz BJOZDVOYRSBYHT-AWEZNQCLSA-N -1 3 345.286 2.903 20 5 EFBDHM COC(=O)[C@@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)c1cccc(F)c1 ZINC001227742619 1311848629 /nfs/dbraw/zinc/84/86/29/1311848629.db2.gz BJOZDVOYRSBYHT-AWEZNQCLSA-N -1 3 345.286 2.903 20 5 EFBDHM COC(=O)C[C@@H]1CCC[C@@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)C1 ZINC001227746808 1311849677 /nfs/dbraw/zinc/84/96/77/1311849677.db2.gz VIFLMOBQKJQNFF-ZYHUDNBSSA-N -1 3 333.344 2.972 20 5 EFBDHM COC(=O)C[C@@H]1CCC[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC001227746808 1311849681 /nfs/dbraw/zinc/84/96/81/1311849681.db2.gz VIFLMOBQKJQNFF-ZYHUDNBSSA-N -1 3 333.344 2.972 20 5 EFBDHM C[C@@H](C[N+](C)(C)C)Oc1cc([O-])ccc1C(=O)c1ccc(O)cc1[O-] ZINC001228123486 1311903435 /nfs/dbraw/zinc/90/34/35/1311903435.db2.gz TYKYWBIUZCXSQL-LBPRGKRZSA-O -1 3 346.403 2.508 20 5 EFBDHM COC(=O)[C@H]1CCC[C@@H](Oc2nc3cc([N+](=O)[O-])c(C)cc3[n-]2)C1 ZINC001228674178 1311980025 /nfs/dbraw/zinc/98/00/25/1311980025.db2.gz IMXSNWFVHBKMLL-WDEREUQCSA-N -1 3 333.344 2.890 20 5 EFBDHM COc1cccc2c1[C@H](Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-])CCO2 ZINC001228685402 1311981794 /nfs/dbraw/zinc/98/17/94/1311981794.db2.gz HHIWCLBVRNJEHT-GFCCVEGCSA-N -1 3 332.312 2.915 20 5 EFBDHM Cc1[n-]c(=O)cc(OC[C@H]2CCC(c3ccccc3)=NO2)c1[N+](=O)[O-] ZINC001228688146 1311982490 /nfs/dbraw/zinc/98/24/90/1311982490.db2.gz FSCSUDXZFOPQTH-CYBMUJFWSA-N -1 3 343.339 2.966 20 5 EFBDHM COc1ccccc1OC[C@@H](C)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228687751 1311982583 /nfs/dbraw/zinc/98/25/83/1311982583.db2.gz APPWAVBTDUTFTB-SNVBAGLBSA-N -1 3 334.328 2.859 20 5 EFBDHM COc1cc(-c2nnn[n-]2)ccc1O[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001229337907 1312080991 /nfs/dbraw/zinc/08/09/91/1312080991.db2.gz NTZRZZWWNCQLCB-JTQLQIEISA-N -1 3 341.327 2.924 20 5 EFBDHM COc1cc(-c2nn[n-]n2)ccc1O[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001229337907 1312080994 /nfs/dbraw/zinc/08/09/94/1312080994.db2.gz NTZRZZWWNCQLCB-JTQLQIEISA-N -1 3 341.327 2.924 20 5 EFBDHM Cc1ncc(Nc2nc3ccccc3c(Cl)c2[N+](=O)[O-])c(=O)[n-]1 ZINC001162302167 1312084611 /nfs/dbraw/zinc/08/46/11/1312084611.db2.gz XTXYEQWYMXZKRI-SNVBAGLBSA-N -1 3 331.719 2.606 20 5 EFBDHM Cc1cc([O-])c(-c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)c(O)c1 ZINC001216271356 1314935451 /nfs/dbraw/zinc/93/54/51/1314935451.db2.gz DCQXVQWIRHLCDY-UHFFFAOYSA-N -1 3 332.247 2.566 20 5 EFBDHM O=[N+]([O-])c1cc2[n-]c(O[C@@H]3CNCC(F)(F)C3)nc2cc1Cl ZINC001218278110 1315173917 /nfs/dbraw/zinc/17/39/17/1315173917.db2.gz ITSGJSNHDRZNNT-LURJTMIESA-N -1 3 332.694 2.501 20 5 EFBDHM O=[N+]([O-])c1cc2nc(O[C@@H]3CNCC(F)(F)C3)[n-]c2cc1Cl ZINC001218278110 1315173919 /nfs/dbraw/zinc/17/39/19/1315173919.db2.gz ITSGJSNHDRZNNT-LURJTMIESA-N -1 3 332.694 2.501 20 5 EFBDHM CC1(C)CC(C(=O)N2CCC(Nc3cc[n-]c(=O)c3[N+](=O)[O-])CC2)C1 ZINC001057323162 1315756673 /nfs/dbraw/zinc/75/66/73/1315756673.db2.gz XHPXWXQLTMHECL-UHFFFAOYSA-N -1 3 348.403 2.535 20 5 EFBDHM O=C(N[C@H]1C[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1)C1CCCCC1 ZINC001068440564 1316112030 /nfs/dbraw/zinc/11/20/30/1316112030.db2.gz NCBAWIVGZHSORM-AULYBMBSSA-N -1 3 348.403 2.582 20 5 EFBDHM C[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])CN(C)C(=O)OC(C)(C)C ZINC001261653028 1316423045 /nfs/dbraw/zinc/42/30/45/1316423045.db2.gz YUJDKIKWWGLVJH-SNVBAGLBSA-N -1 3 340.380 2.610 20 5 EFBDHM CS(=O)(=O)[N-]c1cccc(F)c1CNc1ccccc1[N+](=O)[O-] ZINC001319217774 1328810374 /nfs/dbraw/zinc/81/03/74/1328810374.db2.gz AYLCSBNTZPYWGY-UHFFFAOYSA-N -1 3 339.348 2.718 20 5 EFBDHM CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc(O)cc1[O-] ZINC001325076883 1329669365 /nfs/dbraw/zinc/66/93/65/1329669365.db2.gz MVQKIHAZIVMBNS-UHFFFAOYSA-N -1 3 336.731 2.932 20 5 EFBDHM O=c1[n-]ccc(NC2CCN(c3cccc(F)c3)CC2)c1[N+](=O)[O-] ZINC001327647737 1330504161 /nfs/dbraw/zinc/50/41/61/1330504161.db2.gz HQZYZIUDCUIYGL-UHFFFAOYSA-N -1 3 332.335 2.915 20 5 EFBDHM O=C(Nc1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1)C1CC1 ZINC001347181713 1332722836 /nfs/dbraw/zinc/72/28/36/1332722836.db2.gz LRMSQGGMVPWXBW-UHFFFAOYSA-N -1 3 328.328 2.656 20 5 EFBDHM CCCCCCC(=O)NCCN(CC)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100527094 1334213810 /nfs/dbraw/zinc/21/38/10/1334213810.db2.gz BSOMVONDHREUAN-UHFFFAOYSA-N -1 3 338.408 2.608 20 5 EFBDHM Cc1c([C@H](C)NCc2cccc(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC000822020960 1429084049 /nfs/dbraw/zinc/08/40/49/1429084049.db2.gz PJXZQRJAYUGQPR-LBPRGKRZSA-N -1 3 338.371 2.934 20 5 EFBDHM Cc1c([C@H](C)NCc2cccc(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC000822020960 1429084057 /nfs/dbraw/zinc/08/40/57/1429084057.db2.gz PJXZQRJAYUGQPR-LBPRGKRZSA-N -1 3 338.371 2.934 20 5 EFBDHM Cc1ccc([C@@H](C)NCc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000822229284 1446586569 /nfs/dbraw/zinc/58/65/69/1446586569.db2.gz QZGHCXZPVFLHRH-GFCCVEGCSA-N -1 3 338.371 2.934 20 5 EFBDHM Cc1ccc([C@@H](C)NCc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000822229284 1446586571 /nfs/dbraw/zinc/58/65/71/1446586571.db2.gz QZGHCXZPVFLHRH-GFCCVEGCSA-N -1 3 338.371 2.934 20 5 EFBDHM Cc1c(CN[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC000826236541 1449845010 /nfs/dbraw/zinc/84/50/10/1449845010.db2.gz QPXBXHDXLZMHCA-GFCCVEGCSA-N -1 3 338.371 2.934 20 5 EFBDHM Cc1c(CN[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cccc1[N+](=O)[O-] ZINC000826236541 1449845016 /nfs/dbraw/zinc/84/50/16/1449845016.db2.gz QPXBXHDXLZMHCA-GFCCVEGCSA-N -1 3 338.371 2.934 20 5 EFBDHM O=C(COC(=O)c1cc2ccsc2[n-]1)Nc1cccc([N+](=O)[O-])c1 ZINC000023345733 712903539 /nfs/dbraw/zinc/90/35/39/712903539.db2.gz IIZKGFAKKIUWNT-UHFFFAOYSA-N -1 3 345.336 2.933 20 5 EFBDHM O=C(CC1CCCCC1)N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001059557686 724532529 /nfs/dbraw/zinc/53/25/29/724532529.db2.gz DPRHPVLGFHPLAG-BETUJISGSA-N -1 3 348.403 2.725 20 5 EFBDHM C[C@H](OC(=O)c1ccc([O-])cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000005694136 719142354 /nfs/dbraw/zinc/14/23/54/719142354.db2.gz JWSBNBPLTOLMRE-VIFPVBQESA-N -1 3 348.286 2.624 20 5 EFBDHM CS[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000866883943 719660448 /nfs/dbraw/zinc/66/04/48/719660448.db2.gz APAXMUDZJHFKQW-ZJUUUORDSA-N -1 3 348.421 2.605 20 5 EFBDHM Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc([O-])cc2)cccc1[N+](=O)[O-] ZINC000022474746 724746062 /nfs/dbraw/zinc/74/60/62/724746062.db2.gz MBDHXYFFKWUYGL-LLVKDONJSA-N -1 3 344.323 2.793 20 5 EFBDHM CC(C)(C(=O)N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1)C1CCC1 ZINC001059360087 723959478 /nfs/dbraw/zinc/95/94/78/723959478.db2.gz SKYSPBHDRCUVKP-HAQNSBGRSA-N -1 3 348.403 2.581 20 5 EFBDHM Cc1cc(S(=O)(=O)[N-]c2cccnc2Cl)ccc1[N+](=O)[O-] ZINC000172181806 728572855 /nfs/dbraw/zinc/57/28/55/728572855.db2.gz XCJDPOAAEJPVOW-UHFFFAOYSA-N -1 3 327.749 2.752 20 5 EFBDHM Cc1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)ccc1F ZINC000179624346 729598989 /nfs/dbraw/zinc/59/89/89/729598989.db2.gz QITKEZSCDATNIK-UHFFFAOYSA-N -1 3 328.296 2.982 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000068038538 729602849 /nfs/dbraw/zinc/60/28/49/729602849.db2.gz UYTNWQKUEHPBLZ-UHFFFAOYSA-N -1 3 335.385 2.770 20 5 EFBDHM CC(=O)c1cccc(-c2nnn[n-]2)c1OCc1ccccc1[N+](=O)[O-] ZINC001573555150 946904169 /nfs/dbraw/zinc/90/41/69/946904169.db2.gz CXASHRAYJAQLBV-UHFFFAOYSA-N -1 3 339.311 2.557 20 5 EFBDHM CC(=O)c1cccc(-c2nn[n-]n2)c1OCc1ccccc1[N+](=O)[O-] ZINC001573555150 946904180 /nfs/dbraw/zinc/90/41/80/946904180.db2.gz CXASHRAYJAQLBV-UHFFFAOYSA-N -1 3 339.311 2.557 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N(CC(F)F)CC1CCC1 ZINC000826497765 948411233 /nfs/dbraw/zinc/41/12/33/948411233.db2.gz TZTGKBXTNGCQTA-UHFFFAOYSA-N -1 3 338.318 2.647 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N(CC(F)F)CC1CCC1 ZINC000826497765 948411238 /nfs/dbraw/zinc/41/12/38/948411238.db2.gz TZTGKBXTNGCQTA-UHFFFAOYSA-N -1 3 338.318 2.647 20 5 EFBDHM CC1(C)C[C@@H](CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C(C)(C)O1 ZINC001575639015 950850568 /nfs/dbraw/zinc/85/05/68/950850568.db2.gz MNESFIWBFCOLPP-NSHDSACASA-N -1 3 346.391 2.781 20 5 EFBDHM CC1(C)C[C@@H](CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C(C)(C)O1 ZINC001575639015 950850590 /nfs/dbraw/zinc/85/05/90/950850590.db2.gz MNESFIWBFCOLPP-NSHDSACASA-N -1 3 346.391 2.781 20 5 EFBDHM CCN(Cc1ccc(Br)cc1[N+](=O)[O-])[C@H](C)C(=O)[O-] ZINC000707972084 954988877 /nfs/dbraw/zinc/98/88/77/954988877.db2.gz LQGGZFQHXOFGHU-MRVPVSSYSA-N -1 3 331.166 2.652 20 5 EFBDHM COc1cc(CN(CC(=O)[O-])CC(C)(C)C)c([N+](=O)[O-])cc1F ZINC001594056686 958043100 /nfs/dbraw/zinc/04/31/00/958043100.db2.gz URIYADYNWVHRAF-UHFFFAOYSA-N -1 3 328.340 2.675 20 5 EFBDHM CC([C@H](OC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)c1ccccc1F)[N+](=O)[O-] ZINC001588607128 959482040 /nfs/dbraw/zinc/48/20/40/959482040.db2.gz PTBSYWUKIIMKSV-DYNIEEOBSA-N -1 3 339.319 2.576 20 5 EFBDHM CC(C)O[C@@H]1C[C@@H](NCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1(C)C ZINC001591696361 975533565 /nfs/dbraw/zinc/53/35/65/975533565.db2.gz RLCCTJIMIQSPBA-HUUCEWRRSA-N -1 3 336.388 2.975 20 5 EFBDHM CC(C)OC[C@@H](C(=O)[O-])N(C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001591712337 975604520 /nfs/dbraw/zinc/60/45/20/975604520.db2.gz RATPAVFWHGKHBO-ZDUSSCGKSA-N -1 3 330.768 2.558 20 5 EFBDHM CC([C@@H](OC(=O)c1cc(C(=O)[O-])co1)c1ccccc1F)[N+](=O)[O-] ZINC001589554291 987300397 /nfs/dbraw/zinc/30/03/97/987300397.db2.gz YTKMTCGUBAKBNS-AMIZOPFISA-N -1 3 337.259 2.680 20 5 EFBDHM C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC001593738544 996348988 /nfs/dbraw/zinc/34/89/88/996348988.db2.gz XISQKLRNDZEBAC-BREBYQMCSA-N -1 3 346.343 2.501 20 5 EFBDHM CO[C@]1(C(=O)[O-])CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001599079491 996962673 /nfs/dbraw/zinc/96/26/73/996962673.db2.gz SJVNZGPZGXVZLQ-QGZVFWFLSA-N -1 3 346.339 2.530 20 5 EFBDHM COc1cc(CN(CC(=O)[O-])Cc2ccccc2)ccc1[N+](=O)[O-] ZINC001599405992 997302872 /nfs/dbraw/zinc/30/28/72/997302872.db2.gz PAJYLNIFPWYVEJ-UHFFFAOYSA-N -1 3 330.340 2.690 20 5 EFBDHM C[C@@]1(NCc2c(F)cc([N+](=O)[O-])cc2F)CCCC[C@@H]1C(=O)[O-] ZINC001594060589 997835410 /nfs/dbraw/zinc/83/54/10/997835410.db2.gz QOXMIXPSJPHQTK-IAQYHMDHSA-N -1 3 328.315 2.996 20 5 EFBDHM C[C@H]1CCCN1CCNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001594387070 999463827 /nfs/dbraw/zinc/46/38/27/999463827.db2.gz DDSTVRFFNUOSAM-VIFPVBQESA-N -1 3 327.768 2.843 20 5 EFBDHM CC(C)Cn1cc(Nc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])cn1 ZINC001574243453 1087974436 /nfs/dbraw/zinc/97/44/36/1087974436.db2.gz UDXHAXBMHGVBOA-UHFFFAOYSA-N -1 3 346.326 2.510 20 5 EFBDHM CC(C)Cn1cc(Nc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])cn1 ZINC001574243453 1087974456 /nfs/dbraw/zinc/97/44/56/1087974456.db2.gz UDXHAXBMHGVBOA-UHFFFAOYSA-N -1 3 346.326 2.510 20 5 EFBDHM CC1(C)CCCN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001575693836 1088638394 /nfs/dbraw/zinc/63/83/94/1088638394.db2.gz QUJCCJFBRYFPEI-UHFFFAOYSA-N -1 3 334.355 2.931 20 5 EFBDHM CC1(C)CCCN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001575693836 1088638398 /nfs/dbraw/zinc/63/83/98/1088638398.db2.gz QUJCCJFBRYFPEI-UHFFFAOYSA-N -1 3 334.355 2.931 20 5 EFBDHM C[C@@H]1c2sccc2CCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001576397994 1089190084 /nfs/dbraw/zinc/19/00/84/1089190084.db2.gz ALBYQJLMSBGXLT-SECBINFHSA-N -1 3 342.384 2.960 20 5 EFBDHM C[C@@H]1c2sccc2CCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001576397994 1089190089 /nfs/dbraw/zinc/19/00/89/1089190089.db2.gz ALBYQJLMSBGXLT-SECBINFHSA-N -1 3 342.384 2.960 20 5 EFBDHM CN(Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])c1cccc2cc[nH]c21 ZINC001579240532 1090556510 /nfs/dbraw/zinc/55/65/10/1090556510.db2.gz GNANKAGQRJLVKG-UHFFFAOYSA-N -1 3 349.354 2.893 20 5 EFBDHM CN(Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])c1cccc2cc[nH]c21 ZINC001579240532 1090556512 /nfs/dbraw/zinc/55/65/12/1090556512.db2.gz GNANKAGQRJLVKG-UHFFFAOYSA-N -1 3 349.354 2.893 20 5 EFBDHM Cc1cc(N2CC[C@@H](C)C[C@@H](C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001580972593 1091052969 /nfs/dbraw/zinc/05/29/69/1091052969.db2.gz PXQSXOQNJLEKTI-GHMZBOCLSA-N -1 3 330.392 2.956 20 5 EFBDHM Cc1cc(N2CC[C@@H](C)C[C@@H](C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001580972593 1091052975 /nfs/dbraw/zinc/05/29/75/1091052975.db2.gz PXQSXOQNJLEKTI-GHMZBOCLSA-N -1 3 330.392 2.956 20 5 EFBDHM Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc(-c2nnn[n-]2)c1 ZINC001580985510 1091055692 /nfs/dbraw/zinc/05/56/92/1091055692.db2.gz JZGZAGOKICJQRV-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc(-c2nn[n-]n2)c1 ZINC001580985510 1091055699 /nfs/dbraw/zinc/05/56/99/1091055699.db2.gz JZGZAGOKICJQRV-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM Cc1cc(N[C@@H](C)c2cccc([N+](=O)[O-])c2)ncc1-c1nnn[n-]1 ZINC001580994476 1091058747 /nfs/dbraw/zinc/05/87/47/1091058747.db2.gz WADJEBNFOJNKSR-JTQLQIEISA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1cc(N[C@@H](C)c2cccc([N+](=O)[O-])c2)ncc1-c1nn[n-]n1 ZINC001580994476 1091058752 /nfs/dbraw/zinc/05/87/52/1091058752.db2.gz WADJEBNFOJNKSR-JTQLQIEISA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1ccc2c(c1)CCN2c1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001581214229 1091094486 /nfs/dbraw/zinc/09/44/86/1091094486.db2.gz AYMXDUVUGFLPAV-UHFFFAOYSA-N -1 3 340.318 2.917 20 5 EFBDHM Cc1ccc2c(c1)CCN2c1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001581214229 1091094493 /nfs/dbraw/zinc/09/44/93/1091094493.db2.gz AYMXDUVUGFLPAV-UHFFFAOYSA-N -1 3 340.318 2.917 20 5 EFBDHM Cc1ccc(Sc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)cc1 ZINC001581213624 1091095108 /nfs/dbraw/zinc/09/51/08/1091095108.db2.gz BOSWAWYUFALMNL-UHFFFAOYSA-N -1 3 328.357 2.817 20 5 EFBDHM Cc1ccc(Sc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)cc1 ZINC001581213624 1091095112 /nfs/dbraw/zinc/09/51/12/1091095112.db2.gz BOSWAWYUFALMNL-UHFFFAOYSA-N -1 3 328.357 2.817 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CCCC[C@@H]2C2CCC2)c(-c2nnn[n-]2)c1 ZINC001582804069 1091668269 /nfs/dbraw/zinc/66/82/69/1091668269.db2.gz HTDRFCIDNXEGHX-CQSZACIVSA-N -1 3 328.376 2.934 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CCCC[C@@H]2C2CCC2)c(-c2nn[n-]n2)c1 ZINC001582804069 1091668274 /nfs/dbraw/zinc/66/82/74/1091668274.db2.gz HTDRFCIDNXEGHX-CQSZACIVSA-N -1 3 328.376 2.934 20 5 EFBDHM O=[N+]([O-])c1cc(OCCc2ccc(-c3nnn[n-]3)cc2)c(F)cc1F ZINC001582803430 1091668524 /nfs/dbraw/zinc/66/85/24/1091668524.db2.gz GZJHUTGTPPHMHW-UHFFFAOYSA-N -1 3 347.281 2.675 20 5 EFBDHM O=[N+]([O-])c1cc(OCCc2ccc(-c3nn[n-]n3)cc2)c(F)cc1F ZINC001582803430 1091668531 /nfs/dbraw/zinc/66/85/31/1091668531.db2.gz GZJHUTGTPPHMHW-UHFFFAOYSA-N -1 3 347.281 2.675 20 5 EFBDHM CC/C(C)=C/C(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC1 ZINC001104394474 1092339918 /nfs/dbraw/zinc/33/99/18/1092339918.db2.gz LICGKLPUICBWSK-ZRDIBKRKSA-N -1 3 348.403 2.893 20 5 EFBDHM CC(=O)Nc1ccc(Oc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])cc1 ZINC001588878275 1093000605 /nfs/dbraw/zinc/00/06/05/1093000605.db2.gz AWSZMPUFCPVVTI-UHFFFAOYSA-N -1 3 340.299 2.526 20 5 EFBDHM CC(=O)Nc1ccc(Oc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])cc1 ZINC001588878275 1093000612 /nfs/dbraw/zinc/00/06/12/1093000612.db2.gz AWSZMPUFCPVVTI-UHFFFAOYSA-N -1 3 340.299 2.526 20 5 EFBDHM C[C@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(C)(C)C ZINC001589031305 1093020419 /nfs/dbraw/zinc/02/04/19/1093020419.db2.gz YYQNWCZVFDHROH-SECBINFHSA-N -1 3 333.348 2.500 20 5 EFBDHM C[C@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(C)(C)C ZINC001589031305 1093020428 /nfs/dbraw/zinc/02/04/28/1093020428.db2.gz YYQNWCZVFDHROH-SECBINFHSA-N -1 3 333.348 2.500 20 5 EFBDHM CC(C)(C)C1=CCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC1 ZINC001589097317 1093029246 /nfs/dbraw/zinc/02/92/46/1093029246.db2.gz XVGXXPXEKSHALF-UHFFFAOYSA-N -1 3 328.376 2.958 20 5 EFBDHM CC(C)(C)C1=CCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CC1 ZINC001589097317 1093029253 /nfs/dbraw/zinc/02/92/53/1093029253.db2.gz XVGXXPXEKSHALF-UHFFFAOYSA-N -1 3 328.376 2.958 20 5 EFBDHM CC(C)(CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1=CCOCC1 ZINC001589289050 1093064006 /nfs/dbraw/zinc/06/40/06/1093064006.db2.gz XCPNUYZYYQNACR-UHFFFAOYSA-N -1 3 344.375 2.560 20 5 EFBDHM CC(C)(CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C1=CCOCC1 ZINC001589289050 1093064014 /nfs/dbraw/zinc/06/40/14/1093064014.db2.gz XCPNUYZYYQNACR-UHFFFAOYSA-N -1 3 344.375 2.560 20 5 EFBDHM CC(C)[C@]1(C)C[C@@H]1C(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589491320 1093093244 /nfs/dbraw/zinc/09/32/44/1093093244.db2.gz RISUIADTPQDQKM-WBMJQRKESA-N -1 3 345.359 2.500 20 5 EFBDHM CC(C)[C@]1(C)C[C@@H]1C(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589491320 1093093253 /nfs/dbraw/zinc/09/32/53/1093093253.db2.gz RISUIADTPQDQKM-WBMJQRKESA-N -1 3 345.359 2.500 20 5 EFBDHM CC(C)[C@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H]1C(C)C ZINC001589518272 1093101936 /nfs/dbraw/zinc/10/19/36/1093101936.db2.gz RXUDWIIUAMIQGY-DOMZBBRYSA-N -1 3 330.392 2.892 20 5 EFBDHM CC(C)[C@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@H]1C(C)C ZINC001589518272 1093101939 /nfs/dbraw/zinc/10/19/39/1093101939.db2.gz RXUDWIIUAMIQGY-DOMZBBRYSA-N -1 3 330.392 2.892 20 5 EFBDHM CC(C)[C@@H]1[C@@H](C(C)C)CN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589518275 1093102226 /nfs/dbraw/zinc/10/22/26/1093102226.db2.gz RXUDWIIUAMIQGY-IUODEOHRSA-N -1 3 330.392 2.892 20 5 EFBDHM CC(C)[C@@H]1[C@@H](C(C)C)CN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589518275 1093102233 /nfs/dbraw/zinc/10/22/33/1093102233.db2.gz RXUDWIIUAMIQGY-IUODEOHRSA-N -1 3 330.392 2.892 20 5 EFBDHM C[C@H](CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)CC(F)(F)F ZINC001589876579 1093162133 /nfs/dbraw/zinc/16/21/33/1093162133.db2.gz GNLRJNIPOCWXGN-ZETCQYMHSA-N -1 3 330.270 2.775 20 5 EFBDHM C[C@H](COc1ccccc1)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589887148 1093166804 /nfs/dbraw/zinc/16/68/04/1093166804.db2.gz QZQZOIPDGBOYHZ-LLVKDONJSA-N -1 3 340.343 2.654 20 5 EFBDHM C[C@H](COc1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589887148 1093166807 /nfs/dbraw/zinc/16/68/07/1093166807.db2.gz QZQZOIPDGBOYHZ-LLVKDONJSA-N -1 3 340.343 2.654 20 5 EFBDHM C[C@@H](COc1ccccc1)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589887149 1093167248 /nfs/dbraw/zinc/16/72/48/1093167248.db2.gz QZQZOIPDGBOYHZ-NSHDSACASA-N -1 3 340.343 2.654 20 5 EFBDHM C[C@@H](COc1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589887149 1093167253 /nfs/dbraw/zinc/16/72/53/1093167253.db2.gz QZQZOIPDGBOYHZ-NSHDSACASA-N -1 3 340.343 2.654 20 5 EFBDHM C[C@H](Cc1ccccc1F)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589900146 1093172911 /nfs/dbraw/zinc/17/29/11/1093172911.db2.gz VIABFVXMWZEVBW-SNVBAGLBSA-N -1 3 342.334 2.957 20 5 EFBDHM C[C@H](Cc1ccccc1F)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589900146 1093172915 /nfs/dbraw/zinc/17/29/15/1093172915.db2.gz VIABFVXMWZEVBW-SNVBAGLBSA-N -1 3 342.334 2.957 20 5 EFBDHM C[C@H](Cc1cccs1)N(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001589902266 1093175070 /nfs/dbraw/zinc/17/50/70/1093175070.db2.gz AUSKQGCIZHEBEB-SNVBAGLBSA-N -1 3 344.400 2.904 20 5 EFBDHM C[C@H](Cc1cccs1)N(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001589902266 1093175071 /nfs/dbraw/zinc/17/50/71/1093175071.db2.gz AUSKQGCIZHEBEB-SNVBAGLBSA-N -1 3 344.400 2.904 20 5 EFBDHM C[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001590038486 1093231534 /nfs/dbraw/zinc/23/15/34/1093231534.db2.gz AWFZUXWSTMXTQT-NSHDSACASA-N -1 3 336.355 2.852 20 5 EFBDHM C[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001590038486 1093231537 /nfs/dbraw/zinc/23/15/37/1093231537.db2.gz AWFZUXWSTMXTQT-NSHDSACASA-N -1 3 336.355 2.852 20 5 EFBDHM C[C@@H](c1ccco1)N(C)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590051290 1093246082 /nfs/dbraw/zinc/24/60/82/1093246082.db2.gz QGVOPDFHRVHYSO-JTQLQIEISA-N -1 3 328.332 2.561 20 5 EFBDHM C[C@@H](c1ccco1)N(C)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590051290 1093246086 /nfs/dbraw/zinc/24/60/86/1093246086.db2.gz QGVOPDFHRVHYSO-JTQLQIEISA-N -1 3 328.332 2.561 20 5 EFBDHM CC1(C)C[C@H](Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCS1 ZINC001590083946 1093257610 /nfs/dbraw/zinc/25/76/10/1093257610.db2.gz PSMMHKJCTCIBLH-SECBINFHSA-N -1 3 334.405 2.861 20 5 EFBDHM CC1(C)C[C@H](Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCS1 ZINC001590083946 1093257615 /nfs/dbraw/zinc/25/76/15/1093257615.db2.gz PSMMHKJCTCIBLH-SECBINFHSA-N -1 3 334.405 2.861 20 5 EFBDHM C[C@]1(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1(Cl)Cl ZINC001590136788 1093283325 /nfs/dbraw/zinc/28/33/25/1093283325.db2.gz YUFGOCMBVRYGSX-LLVKDONJSA-N -1 3 343.174 2.771 20 5 EFBDHM C[C@]1(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1(Cl)Cl ZINC001590136788 1093283334 /nfs/dbraw/zinc/28/33/34/1093283334.db2.gz YUFGOCMBVRYGSX-LLVKDONJSA-N -1 3 343.174 2.771 20 5 EFBDHM C[C@H]1CC(CCNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC001590190067 1093298350 /nfs/dbraw/zinc/29/83/50/1093298350.db2.gz NWCFSUODDNGNIU-QWRGUYRKSA-N -1 3 346.391 2.781 20 5 EFBDHM C[C@H]1CC(CCNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC001590190067 1093298357 /nfs/dbraw/zinc/29/83/57/1093298357.db2.gz NWCFSUODDNGNIU-QWRGUYRKSA-N -1 3 346.391 2.781 20 5 EFBDHM C[C@@H]1CCCC[C@H]1OCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590254134 1093342434 /nfs/dbraw/zinc/34/24/34/1093342434.db2.gz JXIHKBHXDZGZMI-IAQYHMDHSA-N -1 3 346.391 2.782 20 5 EFBDHM C[C@@H]1CCCC[C@H]1OCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590254134 1093342440 /nfs/dbraw/zinc/34/24/40/1093342440.db2.gz JXIHKBHXDZGZMI-IAQYHMDHSA-N -1 3 346.391 2.782 20 5 EFBDHM C[C@@H]1CCCC[C@H]1OCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590255209 1093344729 /nfs/dbraw/zinc/34/47/29/1093344729.db2.gz RIOGOTBEOVSYMI-IAQYHMDHSA-N -1 3 346.391 2.782 20 5 EFBDHM C[C@@H]1CCCC[C@H]1OCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590255209 1093344736 /nfs/dbraw/zinc/34/47/36/1093344736.db2.gz RIOGOTBEOVSYMI-IAQYHMDHSA-N -1 3 346.391 2.782 20 5 EFBDHM C[C@H]1CCCC[C@H]1OCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590255211 1093344861 /nfs/dbraw/zinc/34/48/61/1093344861.db2.gz RIOGOTBEOVSYMI-XHDPSFHLSA-N -1 3 346.391 2.782 20 5 EFBDHM C[C@H]1CCCC[C@H]1OCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590255211 1093344868 /nfs/dbraw/zinc/34/48/68/1093344868.db2.gz RIOGOTBEOVSYMI-XHDPSFHLSA-N -1 3 346.391 2.782 20 5 EFBDHM C[C@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c2ccccc21 ZINC001590309224 1093365736 /nfs/dbraw/zinc/36/57/36/1093365736.db2.gz LZOYQORANKQEQR-NSHDSACASA-N -1 3 336.355 2.899 20 5 EFBDHM C[C@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c2ccccc21 ZINC001590309224 1093365741 /nfs/dbraw/zinc/36/57/41/1093365741.db2.gz LZOYQORANKQEQR-NSHDSACASA-N -1 3 336.355 2.899 20 5 EFBDHM C/C=C\C[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590352184 1093385919 /nfs/dbraw/zinc/38/59/19/1093385919.db2.gz BIYSEKBAFARVLV-DLGQBQFBSA-N -1 3 328.376 2.958 20 5 EFBDHM C/C=C\C[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590352184 1093385933 /nfs/dbraw/zinc/38/59/33/1093385933.db2.gz BIYSEKBAFARVLV-DLGQBQFBSA-N -1 3 328.376 2.958 20 5 EFBDHM C/C=C\C[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590352187 1093386646 /nfs/dbraw/zinc/38/66/46/1093386646.db2.gz BIYSEKBAFARVLV-ZZKXABKFSA-N -1 3 328.376 2.958 20 5 EFBDHM C/C=C\C[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590352187 1093386652 /nfs/dbraw/zinc/38/66/52/1093386652.db2.gz BIYSEKBAFARVLV-ZZKXABKFSA-N -1 3 328.376 2.958 20 5 EFBDHM CC[C@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1ccncc1 ZINC001590474000 1093446378 /nfs/dbraw/zinc/44/63/78/1093446378.db2.gz VGGHPHLTEGCTCE-ZDUSSCGKSA-N -1 3 325.332 2.733 20 5 EFBDHM CC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H]1CCCCO1 ZINC001590472749 1093446399 /nfs/dbraw/zinc/44/63/99/1093446399.db2.gz HFFWANALSAPASX-JSGCOSHPSA-N -1 3 332.364 2.535 20 5 EFBDHM CC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H]1CCCCO1 ZINC001590472749 1093446403 /nfs/dbraw/zinc/44/64/03/1093446403.db2.gz HFFWANALSAPASX-JSGCOSHPSA-N -1 3 332.364 2.535 20 5 EFBDHM CCC1(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCCCC1 ZINC001590495375 1093455064 /nfs/dbraw/zinc/45/50/64/1093455064.db2.gz DJPVRPZQWFGGRD-UHFFFAOYSA-N -1 3 331.380 2.942 20 5 EFBDHM CCC1(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCCCC1 ZINC001590495375 1093455069 /nfs/dbraw/zinc/45/50/69/1093455069.db2.gz DJPVRPZQWFGGRD-UHFFFAOYSA-N -1 3 331.380 2.942 20 5 EFBDHM CC[C@H]1CCCC[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590512306 1093467601 /nfs/dbraw/zinc/46/76/01/1093467601.db2.gz QEECUZFYPUOEEH-QWRGUYRKSA-N -1 3 331.380 2.798 20 5 EFBDHM CC[C@H]1CCCC[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590512306 1093467604 /nfs/dbraw/zinc/46/76/04/1093467604.db2.gz QEECUZFYPUOEEH-QWRGUYRKSA-N -1 3 331.380 2.798 20 5 EFBDHM CC[C@H]1CCCN1c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001590514114 1093470582 /nfs/dbraw/zinc/47/05/82/1093470582.db2.gz QDJZXGVXPGWHAW-JTQLQIEISA-N -1 3 339.359 2.702 20 5 EFBDHM CC[C@H]1CCCN1c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001590514114 1093470583 /nfs/dbraw/zinc/47/05/83/1093470583.db2.gz QDJZXGVXPGWHAW-JTQLQIEISA-N -1 3 339.359 2.702 20 5 EFBDHM CCOC1CC(CSCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001590788293 1093571460 /nfs/dbraw/zinc/57/14/60/1093571460.db2.gz MXDXZGXZJXCTPO-UHFFFAOYSA-N -1 3 349.416 2.823 20 5 EFBDHM CCOC1CC(CSCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001590788293 1093571464 /nfs/dbraw/zinc/57/14/64/1093571464.db2.gz MXDXZGXZJXCTPO-UHFFFAOYSA-N -1 3 349.416 2.823 20 5 EFBDHM CCS[C@@H]1CCC[C@@H]1Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590850219 1093597971 /nfs/dbraw/zinc/59/79/71/1093597971.db2.gz HVAQOTHSABFGJE-WCQYABFASA-N -1 3 334.405 2.861 20 5 EFBDHM CCn1nc(C)c([N+](=O)[O-])c1Oc1ccc(-c2nnn[n-]2)cc1Cl ZINC001590965734 1093643721 /nfs/dbraw/zinc/64/37/21/1093643721.db2.gz ISQHDUNCWKBFEY-UHFFFAOYSA-N -1 3 349.738 2.745 20 5 EFBDHM CCn1nc(C)c([N+](=O)[O-])c1Oc1ccc(-c2nn[n-]n2)cc1Cl ZINC001590965734 1093643724 /nfs/dbraw/zinc/64/37/24/1093643724.db2.gz ISQHDUNCWKBFEY-UHFFFAOYSA-N -1 3 349.738 2.745 20 5 EFBDHM CN(Cc1csc([N+](=O)[O-])c1)Cc1cc(-c2nnn[n-]2)cs1 ZINC001591151509 1093675608 /nfs/dbraw/zinc/67/56/08/1093675608.db2.gz SJJYOTWXAMRIEX-UHFFFAOYSA-N -1 3 336.402 2.530 20 5 EFBDHM CN(Cc1csc([N+](=O)[O-])c1)Cc1cc(-c2nn[n-]n2)cs1 ZINC001591151509 1093675613 /nfs/dbraw/zinc/67/56/13/1093675613.db2.gz SJJYOTWXAMRIEX-UHFFFAOYSA-N -1 3 336.402 2.530 20 5 EFBDHM COC1(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CCC(C)CC1 ZINC001591342996 1093700302 /nfs/dbraw/zinc/70/03/02/1093700302.db2.gz NFKHRJFMGYRDFN-UHFFFAOYSA-N -1 3 346.391 2.782 20 5 EFBDHM COC1(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CCC(C)CC1 ZINC001591342996 1093700306 /nfs/dbraw/zinc/70/03/06/1093700306.db2.gz NFKHRJFMGYRDFN-UHFFFAOYSA-N -1 3 346.391 2.782 20 5 EFBDHM COC1(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCCCCC1 ZINC001591342602 1093700837 /nfs/dbraw/zinc/70/08/37/1093700837.db2.gz HLNXWPGCQFCRFY-UHFFFAOYSA-N -1 3 346.391 2.926 20 5 EFBDHM COC1(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCCCCC1 ZINC001591342602 1093700843 /nfs/dbraw/zinc/70/08/43/1093700843.db2.gz HLNXWPGCQFCRFY-UHFFFAOYSA-N -1 3 346.391 2.926 20 5 EFBDHM COC1CCC(CCNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001591351294 1093701549 /nfs/dbraw/zinc/70/15/49/1093701549.db2.gz MSCFMZBTKPPPPH-UHFFFAOYSA-N -1 3 346.391 2.782 20 5 EFBDHM COC1CCC(CCNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1 ZINC001591351294 1093701555 /nfs/dbraw/zinc/70/15/55/1093701555.db2.gz MSCFMZBTKPPPPH-UHFFFAOYSA-N -1 3 346.391 2.782 20 5 EFBDHM COCC1(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CCCCC1 ZINC001591389203 1093712038 /nfs/dbraw/zinc/71/20/38/1093712038.db2.gz MFMCIRGSMVSOCS-UHFFFAOYSA-N -1 3 346.391 2.784 20 5 EFBDHM COc1c(C)cccc1CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001591478430 1093732834 /nfs/dbraw/zinc/73/28/34/1093732834.db2.gz FSWNFJJPIVDJEU-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM COc1c(C)cccc1CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591478430 1093732841 /nfs/dbraw/zinc/73/28/41/1093732841.db2.gz FSWNFJJPIVDJEU-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM COc1cc(-c2nnn[n-]2)ccc1OCc1cc(F)ccc1[N+](=O)[O-] ZINC001591503774 1093743300 /nfs/dbraw/zinc/74/33/00/1093743300.db2.gz QHWDIIQGAVCYOW-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1cc(-c2nn[n-]n2)ccc1OCc1cc(F)ccc1[N+](=O)[O-] ZINC001591503774 1093743305 /nfs/dbraw/zinc/74/33/05/1093743305.db2.gz QHWDIIQGAVCYOW-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1cc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])ccc1C ZINC001591536323 1093757619 /nfs/dbraw/zinc/75/76/19/1093757619.db2.gz YVYBZXHVYOYBCZ-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM COc1cc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])ccc1C ZINC001591536323 1093757623 /nfs/dbraw/zinc/75/76/23/1093757623.db2.gz YVYBZXHVYOYBCZ-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1OCc1ccc(-c2nnn[n-]2)cc1F ZINC001591554640 1093766425 /nfs/dbraw/zinc/76/64/25/1093766425.db2.gz GAENGOKBYONOAO-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1OCc1ccc(-c2nn[n-]n2)cc1F ZINC001591554640 1093766429 /nfs/dbraw/zinc/76/64/29/1093766429.db2.gz GAENGOKBYONOAO-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1OCc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001591554369 1093767026 /nfs/dbraw/zinc/76/70/26/1093767026.db2.gz ANUAQFZAJYMOOM-UHFFFAOYSA-N -1 3 341.327 2.671 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1OCc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001591554369 1093767031 /nfs/dbraw/zinc/76/70/31/1093767031.db2.gz ANUAQFZAJYMOOM-UHFFFAOYSA-N -1 3 341.327 2.671 20 5 EFBDHM COc1cc(Oc2ccc([N+](=O)[O-])c(C)c2)ccc1-c1nnn[n-]1 ZINC001591554971 1093767152 /nfs/dbraw/zinc/76/71/52/1093767152.db2.gz ONLFWJXLQCSXJH-UHFFFAOYSA-N -1 3 327.300 2.884 20 5 EFBDHM COc1cc(Oc2ccc([N+](=O)[O-])c(C)c2)ccc1-c1nn[n-]n1 ZINC001591554971 1093767157 /nfs/dbraw/zinc/76/71/57/1093767157.db2.gz ONLFWJXLQCSXJH-UHFFFAOYSA-N -1 3 327.300 2.884 20 5 EFBDHM COc1ccc(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])c(C)c1 ZINC001591601069 1093788367 /nfs/dbraw/zinc/78/83/67/1093788367.db2.gz MJULYHUWZXZZRY-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM COc1ccc(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])c(C)c1 ZINC001591601069 1093788373 /nfs/dbraw/zinc/78/83/73/1093788373.db2.gz MJULYHUWZXZZRY-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM COc1ccc(NCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c(F)c1 ZINC001591616102 1093797693 /nfs/dbraw/zinc/79/76/93/1093797693.db2.gz ASBVIZXDULTRSG-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM COc1ccc(NCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c(F)c1 ZINC001591616102 1093797701 /nfs/dbraw/zinc/79/77/01/1093797701.db2.gz ASBVIZXDULTRSG-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM COc1ccc(Oc2cc(F)ccc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001591621286 1093800056 /nfs/dbraw/zinc/80/00/56/1093800056.db2.gz LVWKPMNGJDJGGZ-UHFFFAOYSA-N -1 3 331.263 2.715 20 5 EFBDHM COc1ccc(Oc2cc(F)ccc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001591621286 1093800062 /nfs/dbraw/zinc/80/00/62/1093800062.db2.gz LVWKPMNGJDJGGZ-UHFFFAOYSA-N -1 3 331.263 2.715 20 5 EFBDHM COc1ccc([N+](=O)[O-])cc1CNc1cc(C)cc(-c2nnn[n-]2)c1 ZINC001591623993 1093803330 /nfs/dbraw/zinc/80/33/30/1093803330.db2.gz ZJKHEMBFAGWSHK-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM COc1ccc([N+](=O)[O-])cc1CNc1cc(C)cc(-c2nn[n-]n2)c1 ZINC001591623993 1093803337 /nfs/dbraw/zinc/80/33/37/1093803337.db2.gz ZJKHEMBFAGWSHK-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM COc1ccc([N+](=O)[O-])cc1COc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001591623182 1093803384 /nfs/dbraw/zinc/80/33/84/1093803384.db2.gz MRYCXVTXDOUNJK-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1ccc([N+](=O)[O-])cc1COc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001591623182 1093803388 /nfs/dbraw/zinc/80/33/88/1093803388.db2.gz MRYCXVTXDOUNJK-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1ccc([N+](=O)[O-])c(OCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC001591623162 1093804314 /nfs/dbraw/zinc/80/43/14/1093804314.db2.gz LRPLTKJJEADIAT-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1ccc([N+](=O)[O-])c(OCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC001591623162 1093804321 /nfs/dbraw/zinc/80/43/21/1093804321.db2.gz LRPLTKJJEADIAT-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM CSc1ccc(Nc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)cc1 ZINC001591714617 1093840040 /nfs/dbraw/zinc/84/00/40/1093840040.db2.gz WDFFEUHNTARCAY-UHFFFAOYSA-N -1 3 343.372 2.823 20 5 EFBDHM CSc1ccc(Nc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)cc1 ZINC001591714617 1093840047 /nfs/dbraw/zinc/84/00/47/1093840047.db2.gz WDFFEUHNTARCAY-UHFFFAOYSA-N -1 3 343.372 2.823 20 5 EFBDHM C[C@@H](Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])c1cccc(O)c1 ZINC001591730084 1093847862 /nfs/dbraw/zinc/84/78/62/1093847862.db2.gz RUHROVOXFJNHRO-SECBINFHSA-N -1 3 326.316 2.654 20 5 EFBDHM C[C@@H](Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])c1cccc(O)c1 ZINC001591730084 1093847868 /nfs/dbraw/zinc/84/78/68/1093847868.db2.gz RUHROVOXFJNHRO-SECBINFHSA-N -1 3 326.316 2.654 20 5 EFBDHM C[C@H]1c2ccccc2CN1Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591775509 1093857405 /nfs/dbraw/zinc/85/74/05/1093857405.db2.gz CKYLNBIFSNCIPK-NSHDSACASA-N -1 3 336.355 2.852 20 5 EFBDHM C[C@H]1c2ccccc2CN1Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591775509 1093857410 /nfs/dbraw/zinc/85/74/10/1093857410.db2.gz CKYLNBIFSNCIPK-NSHDSACASA-N -1 3 336.355 2.852 20 5 EFBDHM Cc1c([N+](=O)[O-])ccc(F)c1NCc1cccc(-c2nnn[n-]2)c1 ZINC001591830507 1093875538 /nfs/dbraw/zinc/87/55/38/1093875538.db2.gz PMYLIFJJTKEDLH-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM Cc1c([N+](=O)[O-])ccc(F)c1NCc1cccc(-c2nn[n-]n2)c1 ZINC001591830507 1093875541 /nfs/dbraw/zinc/87/55/41/1093875541.db2.gz PMYLIFJJTKEDLH-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM Cc1c(Oc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591830048 1093876186 /nfs/dbraw/zinc/87/61/86/1093876186.db2.gz DGIUQXBEJRKUJI-UHFFFAOYSA-N -1 3 342.271 2.784 20 5 EFBDHM Cc1c(Oc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591830048 1093876189 /nfs/dbraw/zinc/87/61/89/1093876189.db2.gz DGIUQXBEJRKUJI-UHFFFAOYSA-N -1 3 342.271 2.784 20 5 EFBDHM Cc1cc(-c2nnn[n-]2)cc(N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC001591858299 1093896644 /nfs/dbraw/zinc/89/66/44/1093896644.db2.gz OFFXCUPSOIRTPE-NSHDSACASA-N -1 3 339.359 2.960 20 5 EFBDHM Cc1cc(-c2nn[n-]n2)cc(N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC001591858299 1093896650 /nfs/dbraw/zinc/89/66/50/1093896650.db2.gz OFFXCUPSOIRTPE-NSHDSACASA-N -1 3 339.359 2.960 20 5 EFBDHM Cc1cc(-c2nnn[n-]2)cc(NC[C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC001591858136 1093897261 /nfs/dbraw/zinc/89/72/61/1093897261.db2.gz NJUMKWSWMVRJHE-SNVBAGLBSA-N -1 3 339.359 2.694 20 5 EFBDHM Cc1cc(-c2nn[n-]n2)cc(NC[C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC001591858136 1093897267 /nfs/dbraw/zinc/89/72/67/1093897267.db2.gz NJUMKWSWMVRJHE-SNVBAGLBSA-N -1 3 339.359 2.694 20 5 EFBDHM Cc1cc(-c2nnn[n-]2)ccc1CN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001591865717 1093902442 /nfs/dbraw/zinc/90/24/42/1093902442.db2.gz GGYDCNGGTQPWGM-UHFFFAOYSA-N -1 3 336.355 2.599 20 5 EFBDHM Cc1cc(-c2nn[n-]n2)ccc1CN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001591865717 1093902446 /nfs/dbraw/zinc/90/24/46/1093902446.db2.gz GGYDCNGGTQPWGM-UHFFFAOYSA-N -1 3 336.355 2.599 20 5 EFBDHM Cc1cc(-c2nnn[n-]2)ccc1COc1c(F)cccc1[N+](=O)[O-] ZINC001591869205 1093903629 /nfs/dbraw/zinc/90/36/29/1093903629.db2.gz NDGRLQJQELCLQK-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1cc(-c2nn[n-]n2)ccc1COc1c(F)cccc1[N+](=O)[O-] ZINC001591869205 1093903631 /nfs/dbraw/zinc/90/36/31/1093903631.db2.gz NDGRLQJQELCLQK-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1cc(N2CCS[C@@H](C(C)C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592008269 1093953224 /nfs/dbraw/zinc/95/32/24/1093953224.db2.gz DKJIJAAWFCBPGW-CQSZACIVSA-N -1 3 348.432 2.661 20 5 EFBDHM Cc1cc(N2CCS[C@@H](C(C)C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592008269 1093953227 /nfs/dbraw/zinc/95/32/27/1093953227.db2.gz DKJIJAAWFCBPGW-CQSZACIVSA-N -1 3 348.432 2.661 20 5 EFBDHM Cc1cc(NCC[C@@H]2CCCS2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592046884 1093965560 /nfs/dbraw/zinc/96/55/60/1093965560.db2.gz XMDDDFKQOLMKEB-JTQLQIEISA-N -1 3 334.405 2.781 20 5 EFBDHM Cc1cc(NCC[C@@H]2CCCS2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592046884 1093965563 /nfs/dbraw/zinc/96/55/63/1093965563.db2.gz XMDDDFKQOLMKEB-JTQLQIEISA-N -1 3 334.405 2.781 20 5 EFBDHM Cc1cc(NCC2CCSCC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592045541 1093966167 /nfs/dbraw/zinc/96/61/67/1093966167.db2.gz TVTLVRHXVQQWTD-UHFFFAOYSA-N -1 3 334.405 2.638 20 5 EFBDHM Cc1cc(NCC2CCSCC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592045541 1093966171 /nfs/dbraw/zinc/96/61/71/1093966171.db2.gz TVTLVRHXVQQWTD-UHFFFAOYSA-N -1 3 334.405 2.638 20 5 EFBDHM Cc1cc(NCC[C@@]2(C)CC2(F)F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592045259 1093966292 /nfs/dbraw/zinc/96/62/92/1093966292.db2.gz BQVXTDSDOHVMHA-ZDUSSCGKSA-N -1 3 338.318 2.931 20 5 EFBDHM Cc1cc(NCC[C@@]2(C)CC2(F)F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592045259 1093966295 /nfs/dbraw/zinc/96/62/95/1093966295.db2.gz BQVXTDSDOHVMHA-ZDUSSCGKSA-N -1 3 338.318 2.931 20 5 EFBDHM Cc1cc(N[C@@H](C)c2ccccc2[N+](=O)[O-])ncc1-c1nnn[n-]1 ZINC001592054574 1093968902 /nfs/dbraw/zinc/96/89/02/1093968902.db2.gz JKRWNAJFHVSXPA-JTQLQIEISA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1cc(N[C@@H](C)c2ccccc2[N+](=O)[O-])ncc1-c1nn[n-]n1 ZINC001592054574 1093968904 /nfs/dbraw/zinc/96/89/04/1093968904.db2.gz JKRWNAJFHVSXPA-JTQLQIEISA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1cc(OCc2ccc(-c3nnn[n-]3)s2)c(F)cc1[N+](=O)[O-] ZINC001592058732 1093971002 /nfs/dbraw/zinc/97/10/02/1093971002.db2.gz DUIDVOLLJOBORG-UHFFFAOYSA-N -1 3 335.320 2.863 20 5 EFBDHM Cc1cc(OCc2ccc(-c3nnn[n-]3)cc2F)c(F)cc1[N+](=O)[O-] ZINC001592058790 1093971330 /nfs/dbraw/zinc/97/13/30/1093971330.db2.gz HJKSCYGXTQPXEE-UHFFFAOYSA-N -1 3 347.281 2.941 20 5 EFBDHM Cc1cc(OCc2ccc(-c3nn[n-]n3)cc2F)c(F)cc1[N+](=O)[O-] ZINC001592058790 1093971333 /nfs/dbraw/zinc/97/13/33/1093971333.db2.gz HJKSCYGXTQPXEE-UHFFFAOYSA-N -1 3 347.281 2.941 20 5 EFBDHM Cc1cc(S[C@@H]2COC(C)(C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592066841 1093972127 /nfs/dbraw/zinc/97/21/27/1093972127.db2.gz FBGBRRNLYBVMJD-VIFPVBQESA-N -1 3 335.389 2.743 20 5 EFBDHM Cc1cc(S[C@@H]2COC(C)(C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592066841 1093972129 /nfs/dbraw/zinc/97/21/29/1093972129.db2.gz FBGBRRNLYBVMJD-VIFPVBQESA-N -1 3 335.389 2.743 20 5 EFBDHM Cc1cc(SCc2ccc([N+](=O)[O-])cc2)c(-c2nnn[n-]2)cn1 ZINC001592067548 1093973089 /nfs/dbraw/zinc/97/30/89/1093973089.db2.gz XHXJOLDYXTXITP-UHFFFAOYSA-N -1 3 328.357 2.771 20 5 EFBDHM Cc1cc(SCc2ccc([N+](=O)[O-])cc2)c(-c2nn[n-]n2)cn1 ZINC001592067548 1093973094 /nfs/dbraw/zinc/97/30/94/1093973094.db2.gz XHXJOLDYXTXITP-UHFFFAOYSA-N -1 3 328.357 2.771 20 5 EFBDHM Cc1cc([N+](=O)[O-])cc(Cl)c1NCc1ccc(-c2nnn[n-]2)cn1 ZINC001592068498 1093973648 /nfs/dbraw/zinc/97/36/48/1093973648.db2.gz IYSTZABASCRTLE-UHFFFAOYSA-N -1 3 345.750 2.744 20 5 EFBDHM Cc1cc([N+](=O)[O-])cc(Cl)c1NCc1ccc(-c2nn[n-]n2)cn1 ZINC001592068498 1093973651 /nfs/dbraw/zinc/97/36/51/1093973651.db2.gz IYSTZABASCRTLE-UHFFFAOYSA-N -1 3 345.750 2.744 20 5 EFBDHM Cc1sc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1[N+](=O)[O-] ZINC001592107455 1093983776 /nfs/dbraw/zinc/98/37/76/1093983776.db2.gz XJTVXVJWDMCPAA-UHFFFAOYSA-N -1 3 344.356 2.706 20 5 EFBDHM Cc1sc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc1[N+](=O)[O-] ZINC001592107455 1093983780 /nfs/dbraw/zinc/98/37/80/1093983780.db2.gz XJTVXVJWDMCPAA-UHFFFAOYSA-N -1 3 344.356 2.706 20 5 EFBDHM Cc1ccc(-c2noc(-c3cccc(-c4nnn[n-]4)c3)n2)cc1[N+](=O)[O-] ZINC001592113019 1093984700 /nfs/dbraw/zinc/98/47/00/1093984700.db2.gz SFDHIOVQGDQBNF-UHFFFAOYSA-N -1 3 349.310 2.800 20 5 EFBDHM Cc1ccc(-c2noc(-c3cccc(-c4nn[n-]n4)c3)n2)cc1[N+](=O)[O-] ZINC001592113019 1093984705 /nfs/dbraw/zinc/98/47/05/1093984705.db2.gz SFDHIOVQGDQBNF-UHFFFAOYSA-N -1 3 349.310 2.800 20 5 EFBDHM Cc1ccc(OCc2ccc(-c3nnn[n-]3)c(C)c2)c([N+](=O)[O-])c1 ZINC001592191596 1094025702 /nfs/dbraw/zinc/02/57/02/1094025702.db2.gz WOQQCSFKABCXEJ-UHFFFAOYSA-N -1 3 325.328 2.971 20 5 EFBDHM Cc1ccc(OCc2ccc(-c3nn[n-]n3)c(C)c2)c([N+](=O)[O-])c1 ZINC001592191596 1094025708 /nfs/dbraw/zinc/02/57/08/1094025708.db2.gz WOQQCSFKABCXEJ-UHFFFAOYSA-N -1 3 325.328 2.971 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(Oc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC001592197470 1094025832 /nfs/dbraw/zinc/02/58/32/1094025832.db2.gz LKPZHYRGZZFNLO-UHFFFAOYSA-N -1 3 342.271 2.784 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(Oc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC001592197470 1094025835 /nfs/dbraw/zinc/02/58/35/1094025835.db2.gz LKPZHYRGZZFNLO-UHFFFAOYSA-N -1 3 342.271 2.784 20 5 EFBDHM Cc1cccc2c1CN(c1ccc(-c3nnn[n-]3)c([N+](=O)[O-])c1)CC2 ZINC001592244630 1094047499 /nfs/dbraw/zinc/04/74/99/1094047499.db2.gz DEWQFXOVGGIXKC-UHFFFAOYSA-N -1 3 336.355 2.646 20 5 EFBDHM Cc1cnc([C@H](C)CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)s1 ZINC001592292033 1094066136 /nfs/dbraw/zinc/06/61/36/1094066136.db2.gz SKUUTMWGHLYVTM-MRVPVSSYSA-N -1 3 345.388 2.755 20 5 EFBDHM Cc1cnc([C@H](C)CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)s1 ZINC001592292033 1094066143 /nfs/dbraw/zinc/06/61/43/1094066143.db2.gz SKUUTMWGHLYVTM-MRVPVSSYSA-N -1 3 345.388 2.755 20 5 EFBDHM Cc1csc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c1-c1nnn[n-]1 ZINC001592320541 1094078103 /nfs/dbraw/zinc/07/81/03/1094078103.db2.gz IMIOSFRPQMKIDN-UHFFFAOYSA-N -1 3 348.319 2.536 20 5 EFBDHM Cc1csc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c1-c1nn[n-]n1 ZINC001592320541 1094078108 /nfs/dbraw/zinc/07/81/08/1094078108.db2.gz IMIOSFRPQMKIDN-UHFFFAOYSA-N -1 3 348.319 2.536 20 5 EFBDHM Cc1ncc([N+](=O)[O-])c(OCc2ccc(-c3nnn[n-]3)cc2F)c1C ZINC001592412492 1094101760 /nfs/dbraw/zinc/10/17/60/1094101760.db2.gz GUIZNHNIMGEECJ-UHFFFAOYSA-N -1 3 344.306 2.505 20 5 EFBDHM Cc1ncc([N+](=O)[O-])c(OCc2ccc(-c3nn[n-]n3)cc2F)c1C ZINC001592412492 1094101762 /nfs/dbraw/zinc/10/17/62/1094101762.db2.gz GUIZNHNIMGEECJ-UHFFFAOYSA-N -1 3 344.306 2.505 20 5 EFBDHM Cc1noc(C)c1[C@H](C)CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001592456095 1094107811 /nfs/dbraw/zinc/10/78/11/1094107811.db2.gz GKFAMQBRTQHXOV-MRVPVSSYSA-N -1 3 343.347 2.595 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(N[C@@H]2C[C@@H]2C2CCCCC2)c1-c1nnn[n-]1 ZINC001592757260 1094184299 /nfs/dbraw/zinc/18/42/99/1094184299.db2.gz IURHXTJCOJBDNU-ZYHUDNBSSA-N -1 3 343.391 2.738 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(N[C@@H]2C[C@@H]2C2CCCCC2)c1-c1nn[n-]n1 ZINC001592757260 1094184303 /nfs/dbraw/zinc/18/43/03/1094184303.db2.gz IURHXTJCOJBDNU-ZYHUDNBSSA-N -1 3 343.391 2.738 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(NCCC2=CCCCC2)c1-c1nnn[n-]1 ZINC001592756973 1094184439 /nfs/dbraw/zinc/18/44/39/1094184439.db2.gz FULHVSSGJYMPQQ-UHFFFAOYSA-N -1 3 329.364 2.660 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(NCCC2=CCCCC2)c1-c1nn[n-]n1 ZINC001592756973 1094184445 /nfs/dbraw/zinc/18/44/45/1094184445.db2.gz FULHVSSGJYMPQQ-UHFFFAOYSA-N -1 3 329.364 2.660 20 5 EFBDHM O=C(C[C@H]1CC=CCC1)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001592814955 1094193278 /nfs/dbraw/zinc/19/32/78/1094193278.db2.gz HWMYDRGXLAXLSX-NSHDSACASA-N -1 3 343.343 2.565 20 5 EFBDHM O=C(C[C@H]1CC=CCC1)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001592814955 1094193280 /nfs/dbraw/zinc/19/32/80/1094193280.db2.gz HWMYDRGXLAXLSX-NSHDSACASA-N -1 3 343.343 2.565 20 5 EFBDHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC001593214707 1094241398 /nfs/dbraw/zinc/24/13/98/1094241398.db2.gz XFQLFCAJVNJDPQ-UHFFFAOYSA-N -1 3 344.718 2.681 20 5 EFBDHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC001593214707 1094241405 /nfs/dbraw/zinc/24/14/05/1094241405.db2.gz XFQLFCAJVNJDPQ-UHFFFAOYSA-N -1 3 344.718 2.681 20 5 EFBDHM O=C(Nc1cccc([N+](=O)[O-])c1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC001593248486 1094254355 /nfs/dbraw/zinc/25/43/55/1094254355.db2.gz VKFBHGCIGCEQRT-UHFFFAOYSA-N -1 3 344.718 2.681 20 5 EFBDHM O=C(Nc1cccc([N+](=O)[O-])c1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC001593248486 1094254360 /nfs/dbraw/zinc/25/43/60/1094254360.db2.gz VKFBHGCIGCEQRT-UHFFFAOYSA-N -1 3 344.718 2.681 20 5 EFBDHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC001593308543 1094280701 /nfs/dbraw/zinc/28/07/01/1094280701.db2.gz AVODRAMFGIHMNH-UHFFFAOYSA-N -1 3 345.702 2.648 20 5 EFBDHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC001593308543 1094280708 /nfs/dbraw/zinc/28/07/08/1094280708.db2.gz AVODRAMFGIHMNH-UHFFFAOYSA-N -1 3 345.702 2.648 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC(c2ccco2)CC1 ZINC001593467574 1094311127 /nfs/dbraw/zinc/31/11/27/1094311127.db2.gz CGXZPNMNHKJRQS-UHFFFAOYSA-N -1 3 340.343 2.752 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC(c2ccco2)CC1 ZINC001593467574 1094311134 /nfs/dbraw/zinc/31/11/34/1094311134.db2.gz CGXZPNMNHKJRQS-UHFFFAOYSA-N -1 3 340.343 2.752 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCc2c1c(F)ccc2F ZINC001593468349 1094311187 /nfs/dbraw/zinc/31/11/87/1094311187.db2.gz MGNQHMBAMJDXNR-UHFFFAOYSA-N -1 3 344.281 2.747 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCc2c1c(F)ccc2F ZINC001593468349 1094311196 /nfs/dbraw/zinc/31/11/96/1094311196.db2.gz MGNQHMBAMJDXNR-UHFFFAOYSA-N -1 3 344.281 2.747 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NCC(C1CC1)C1CC1 ZINC001593468196 1094312671 /nfs/dbraw/zinc/31/26/71/1094312671.db2.gz IZIDWADLBWDUBE-UHFFFAOYSA-N -1 3 332.339 2.762 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NCC(C1CC1)C1CC1 ZINC001593468196 1094312679 /nfs/dbraw/zinc/31/26/79/1094312679.db2.gz IZIDWADLBWDUBE-UHFFFAOYSA-N -1 3 332.339 2.762 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NCC1CCC2(CC2)CC1 ZINC001593471870 1094314391 /nfs/dbraw/zinc/31/43/91/1094314391.db2.gz VOHTUCTWSZEDIP-UHFFFAOYSA-N -1 3 329.364 2.552 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NCC1CCC2(CC2)CC1 ZINC001593471870 1094314400 /nfs/dbraw/zinc/31/44/00/1094314400.db2.gz VOHTUCTWSZEDIP-UHFFFAOYSA-N -1 3 329.364 2.552 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NC1CC2(CC2(F)F)C1 ZINC001593469399 1094314919 /nfs/dbraw/zinc/31/49/19/1094314919.db2.gz ZWZMMUQSBSOYKE-UHFFFAOYSA-N -1 3 340.265 2.514 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NC1CC2(CC2(F)F)C1 ZINC001593469399 1094314929 /nfs/dbraw/zinc/31/49/29/1094314929.db2.gz ZWZMMUQSBSOYKE-UHFFFAOYSA-N -1 3 340.265 2.514 20 5 EFBDHM O=[N+]([O-])c1cc(N2CC[C@@H]2c2cccc(F)c2)ccc1-c1nnn[n-]1 ZINC001593471618 1094315217 /nfs/dbraw/zinc/31/52/17/1094315217.db2.gz PISCSTQACIAYOC-CQSZACIVSA-N -1 3 340.318 2.865 20 5 EFBDHM O=[N+]([O-])c1cc(N2CCc3c2cccc3F)ccc1-c1nnn[n-]1 ZINC001593471570 1094315272 /nfs/dbraw/zinc/31/52/72/1094315272.db2.gz NKTRBBJYRRFQMW-UHFFFAOYSA-N -1 3 326.291 2.608 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CCC[C@@H](C2CCCC2)C1 ZINC001593471717 1094316291 /nfs/dbraw/zinc/31/62/91/1094316291.db2.gz WKNWMHWSNQILSW-GFCCVEGCSA-N -1 3 343.391 2.577 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CCC[C@@H](C2CCCC2)C1 ZINC001593471717 1094316298 /nfs/dbraw/zinc/31/62/98/1094316298.db2.gz WKNWMHWSNQILSW-GFCCVEGCSA-N -1 3 343.391 2.577 20 5 EFBDHM O=[N+]([O-])c1cc(C=Cc2cc(-c3nnn[n-]3)ccn2)ccc1Cl ZINC001593473181 1094316398 /nfs/dbraw/zinc/31/63/98/1094316398.db2.gz OYNLPXGMOYKILW-IWQZZHSRSA-N -1 3 328.719 2.994 20 5 EFBDHM O=[N+]([O-])c1cc(C=Cc2cc(-c3nn[n-]n3)ccn2)ccc1Cl ZINC001593473181 1094316401 /nfs/dbraw/zinc/31/64/01/1094316401.db2.gz OYNLPXGMOYKILW-IWQZZHSRSA-N -1 3 328.719 2.994 20 5 EFBDHM O=[N+]([O-])c1cc(N2CCC[C@H]2c2ccccn2)ccc1-c1nnn[n-]1 ZINC001593470726 1094316438 /nfs/dbraw/zinc/31/64/38/1094316438.db2.gz IEBGZVZVRZVGPE-AWEZNQCLSA-N -1 3 337.343 2.511 20 5 EFBDHM O=[N+]([O-])c1cc(N[C@@H]2CCCc3cccnc32)ccc1-c1nnn[n-]1 ZINC001593473458 1094316934 /nfs/dbraw/zinc/31/69/34/1094316934.db2.gz CZIDHKFOEOCIQQ-CYBMUJFWSA-N -1 3 337.343 2.659 20 5 EFBDHM O=[N+]([O-])c1cc(OCc2ccccc2-c2nnn[n-]2)c(F)cc1F ZINC001593474593 1094318074 /nfs/dbraw/zinc/31/80/74/1094318074.db2.gz PGZBTSPQYTYTHQ-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1cc(OCc2ccccc2-c2nn[n-]n2)c(F)cc1F ZINC001593474593 1094318080 /nfs/dbraw/zinc/31/80/80/1094318080.db2.gz PGZBTSPQYTYTHQ-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1cc(N2Cc3cccc(Cl)c3C2)ccc1-c1nnn[n-]1 ZINC001593473488 1094318244 /nfs/dbraw/zinc/31/82/44/1094318244.db2.gz FJNPJXWFTBUUDN-UHFFFAOYSA-N -1 3 342.746 2.949 20 5 EFBDHM O=[N+]([O-])c1cc(C=Cc2ccncc2-c2nnn[n-]2)ccc1Cl ZINC001593473316 1094318354 /nfs/dbraw/zinc/31/83/54/1094318354.db2.gz WMAWIOXLBMESAM-HNQUOIGGSA-N -1 3 328.719 2.994 20 5 EFBDHM O=[N+]([O-])c1cc(C=Cc2ccncc2-c2nn[n-]n2)ccc1Cl ZINC001593473316 1094318360 /nfs/dbraw/zinc/31/83/60/1094318360.db2.gz WMAWIOXLBMESAM-HNQUOIGGSA-N -1 3 328.719 2.994 20 5 EFBDHM O=[N+]([O-])c1cc(NCc2ccc(F)cc2F)ccc1-c1nnn[n-]1 ZINC001593473760 1094318498 /nfs/dbraw/zinc/31/84/98/1094318498.db2.gz LMPXDJJDNYBUOH-UHFFFAOYSA-N -1 3 332.270 2.665 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N[C@H]1C[C@H]1Cc1ccccc1 ZINC001593473793 1094318775 /nfs/dbraw/zinc/31/87/75/1094318775.db2.gz AUQNWUZWLAFUKR-KGLIPLIRSA-N -1 3 336.355 2.818 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N[C@H]1C[C@H]1Cc1ccccc1 ZINC001593473793 1094318781 /nfs/dbraw/zinc/31/87/81/1094318781.db2.gz AUQNWUZWLAFUKR-KGLIPLIRSA-N -1 3 336.355 2.818 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1Oc1cnc(Cl)c(F)c1 ZINC001593476191 1094320068 /nfs/dbraw/zinc/32/00/68/1094320068.db2.gz YYWMILSIHMZWCY-UHFFFAOYSA-N -1 3 336.670 2.755 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1Oc1cnc(Cl)c(F)c1 ZINC001593476191 1094320076 /nfs/dbraw/zinc/32/00/76/1094320076.db2.gz YYWMILSIHMZWCY-UHFFFAOYSA-N -1 3 336.670 2.755 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCc1ccc(F)c(F)c1 ZINC001593475669 1094321419 /nfs/dbraw/zinc/32/14/19/1094321419.db2.gz RNLDKXXLKHDNEQ-UHFFFAOYSA-N -1 3 332.270 2.665 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCc1ccc(F)c(F)c1 ZINC001593475669 1094321422 /nfs/dbraw/zinc/32/14/22/1094321422.db2.gz RNLDKXXLKHDNEQ-UHFFFAOYSA-N -1 3 332.270 2.665 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CCCc2sccc2C1 ZINC001593480098 1094322422 /nfs/dbraw/zinc/32/24/22/1094322422.db2.gz FKJATWYJDOCSLF-UHFFFAOYSA-N -1 3 342.384 2.789 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CCCc2sccc2C1 ZINC001593480098 1094322429 /nfs/dbraw/zinc/32/24/29/1094322429.db2.gz FKJATWYJDOCSLF-UHFFFAOYSA-N -1 3 342.384 2.789 20 5 EFBDHM O=[N+]([O-])c1ccc(NC[C@H]2C[C@@H]2c2ccccc2)c(-c2nnn[n-]2)c1 ZINC001593479156 1094322799 /nfs/dbraw/zinc/32/27/99/1094322799.db2.gz WXVOAERZDWTTIW-TZMCWYRMSA-N -1 3 336.355 2.991 20 5 EFBDHM O=[N+]([O-])c1ccc(NC[C@H]2C[C@@H]2c2ccccc2)c(-c2nn[n-]n2)c1 ZINC001593479156 1094322807 /nfs/dbraw/zinc/32/28/07/1094322807.db2.gz WXVOAERZDWTTIW-TZMCWYRMSA-N -1 3 336.355 2.991 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@H]2C[C@@]2(F)c2ccccc2)c(-c2nnn[n-]2)c1 ZINC001593478994 1094322972 /nfs/dbraw/zinc/32/29/72/1094322972.db2.gz OUSFQOLMEWXXSI-GOEBONIOSA-N -1 3 340.318 2.824 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@H]2C[C@@]2(F)c2ccccc2)c(-c2nn[n-]n2)c1 ZINC001593478994 1094322977 /nfs/dbraw/zinc/32/29/77/1094322977.db2.gz OUSFQOLMEWXXSI-GOEBONIOSA-N -1 3 340.318 2.824 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@@H](CO)CC2CCCCC2)c(-c2nnn[n-]2)c1 ZINC001593478434 1094323695 /nfs/dbraw/zinc/32/36/95/1094323695.db2.gz GTVKMYPIMIUJIH-GFCCVEGCSA-N -1 3 346.391 2.518 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@@H](CO)CC2CCCCC2)c(-c2nn[n-]n2)c1 ZINC001593478434 1094323702 /nfs/dbraw/zinc/32/37/02/1094323702.db2.gz GTVKMYPIMIUJIH-GFCCVEGCSA-N -1 3 346.391 2.518 20 5 EFBDHM O=[N+]([O-])c1ccc(N2Cc3ccc(Cl)cc3C2)c(-c2nnn[n-]2)c1 ZINC001593478964 1094324414 /nfs/dbraw/zinc/32/44/14/1094324414.db2.gz NFEMQZQDSOXHLR-UHFFFAOYSA-N -1 3 342.746 2.949 20 5 EFBDHM O=[N+]([O-])c1ccc(N2Cc3ccc(Cl)cc3C2)c(-c2nn[n-]n2)c1 ZINC001593478964 1094324420 /nfs/dbraw/zinc/32/44/20/1094324420.db2.gz NFEMQZQDSOXHLR-UHFFFAOYSA-N -1 3 342.746 2.949 20 5 EFBDHM O=[N+]([O-])c1ccc2nc(NC/C=C/C3CC3)cc(-c3nnn[n-]3)c2c1 ZINC001593479959 1094324439 /nfs/dbraw/zinc/32/44/39/1094324439.db2.gz AWEGFVWAYGAWDS-OWOJBTEDSA-N -1 3 337.343 2.701 20 5 EFBDHM O=[N+]([O-])c1ccc2nc(NC/C=C/C3CC3)cc(-c3nn[n-]n3)c2c1 ZINC001593479959 1094324446 /nfs/dbraw/zinc/32/44/46/1094324446.db2.gz AWEGFVWAYGAWDS-OWOJBTEDSA-N -1 3 337.343 2.701 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N[C@H](C1CCC1)[C@H]1CCCO1 ZINC001593480308 1094326947 /nfs/dbraw/zinc/32/69/47/1094326947.db2.gz IXQZDHLIDQUMQK-ZIAGYGMSSA-N -1 3 344.375 2.535 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N[C@H](C1CCC1)[C@H]1CCCO1 ZINC001593480308 1094326953 /nfs/dbraw/zinc/32/69/53/1094326953.db2.gz IXQZDHLIDQUMQK-ZIAGYGMSSA-N -1 3 344.375 2.535 20 5 EFBDHM O=[N+]([O-])c1cnc(NCC2(C3CCC3)CCC2)c(-c2nnn[n-]2)c1 ZINC001593484568 1094329160 /nfs/dbraw/zinc/32/91/60/1094329160.db2.gz GBVOVCPTADVMRX-UHFFFAOYSA-N -1 3 329.364 2.552 20 5 EFBDHM O=[N+]([O-])c1cnc(NCC2(C3CCC3)CCC2)c(-c2nn[n-]n2)c1 ZINC001593484568 1094329169 /nfs/dbraw/zinc/32/91/69/1094329169.db2.gz GBVOVCPTADVMRX-UHFFFAOYSA-N -1 3 329.364 2.552 20 5 EFBDHM O=[N+]([O-])c1cnc(NCc2ccc(-c3nnn[n-]3)c(F)c2)c(Cl)c1 ZINC001593485027 1094329465 /nfs/dbraw/zinc/32/94/65/1094329465.db2.gz OBYVYXFCGRDJHE-UHFFFAOYSA-N -1 3 349.713 2.575 20 5 EFBDHM O=[N+]([O-])c1cnc(NCc2ccc(-c3nn[n-]n3)c(F)c2)c(Cl)c1 ZINC001593485027 1094329472 /nfs/dbraw/zinc/32/94/72/1094329472.db2.gz OBYVYXFCGRDJHE-UHFFFAOYSA-N -1 3 349.713 2.575 20 5 EFBDHM O=[N+]([O-])c1cnc(NC[C@@H]2CCC=CCCC2)c(-c2nnn[n-]2)c1 ZINC001593485025 1094329770 /nfs/dbraw/zinc/32/97/70/1094329770.db2.gz NYDKRFVMGCKZBK-LLVKDONJSA-N -1 3 329.364 2.718 20 5 EFBDHM O=[N+]([O-])c1cnc(NC[C@@H]2CCC=CCCC2)c(-c2nn[n-]n2)c1 ZINC001593485025 1094329781 /nfs/dbraw/zinc/32/97/81/1094329781.db2.gz NYDKRFVMGCKZBK-LLVKDONJSA-N -1 3 329.364 2.718 20 5 EFBDHM O=[N+]([O-])c1cnc(N[C@@H]2CCC[C@H](C3CC3)C2)c(-c2nnn[n-]2)c1 ZINC001593486865 1094330436 /nfs/dbraw/zinc/33/04/36/1094330436.db2.gz AHFYOFLSYFPLJA-WDEREUQCSA-N -1 3 329.364 2.551 20 5 EFBDHM O=[N+]([O-])c1cnc(N[C@@H]2CCC[C@H](C3CC3)C2)c(-c2nn[n-]n2)c1 ZINC001593486865 1094330451 /nfs/dbraw/zinc/33/04/51/1094330451.db2.gz AHFYOFLSYFPLJA-WDEREUQCSA-N -1 3 329.364 2.551 20 5 EFBDHM Cc1cc(C)nc(NCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001600183574 1094850177 /nfs/dbraw/zinc/85/01/77/1094850177.db2.gz YQJFNJMFNRPQGP-UHFFFAOYSA-N -1 3 331.328 2.682 20 5 EFBDHM O=C([O-])CC1(NCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCCC1 ZINC001601937957 1095985386 /nfs/dbraw/zinc/98/53/86/1095985386.db2.gz NWKFUHZPRIWSCI-UHFFFAOYSA-N -1 3 346.343 2.522 20 5 EFBDHM O=C([O-])COc1ccc(CN2CCCC3(CC3)CC2)cc1[N+](=O)[O-] ZINC001602082943 1096051606 /nfs/dbraw/zinc/05/16/06/1096051606.db2.gz ZPWUELHMGJHKKV-UHFFFAOYSA-N -1 3 334.372 2.824 20 5 EFBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN[C@H]2CCOC23CCCCC3)c1 ZINC001602404407 1096223822 /nfs/dbraw/zinc/22/38/22/1096223822.db2.gz XOWLOJFITKDYMB-HNNXBMFYSA-N -1 3 334.372 2.874 20 5 EFBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN[C@@H]2CCOC23CCCCC3)c1 ZINC001602404408 1096224089 /nfs/dbraw/zinc/22/40/89/1096224089.db2.gz XOWLOJFITKDYMB-OAHLLOKOSA-N -1 3 334.372 2.874 20 5 EFBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CC[C@H](c3ccccn3)C2)c1 ZINC001602405424 1096225787 /nfs/dbraw/zinc/22/57/87/1096225787.db2.gz SUGAFPNKIOFBLE-ZDUSSCGKSA-N -1 3 327.340 2.678 20 5 EFBDHM C/C(=C/CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1)C(=O)[O-] ZINC001602963074 1096409669 /nfs/dbraw/zinc/40/96/69/1096409669.db2.gz SFBZJZPVUDEVTC-ZOSRMGITSA-N -1 3 348.399 2.731 20 5 EFBDHM CC(C)(C)[C@@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CCO1 ZINC001603062385 1096427814 /nfs/dbraw/zinc/42/78/14/1096427814.db2.gz IKYUCGQLTFIGCW-FZMZJTMJSA-N -1 3 346.391 2.781 20 5 EFBDHM CC(C)(C)[C@@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CCO1 ZINC001603062385 1096427816 /nfs/dbraw/zinc/42/78/16/1096427816.db2.gz IKYUCGQLTFIGCW-FZMZJTMJSA-N -1 3 346.391 2.781 20 5 EFBDHM CC(C)(C)[C@@H]1C[C@@H](Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCO1 ZINC001603062804 1096428670 /nfs/dbraw/zinc/42/86/70/1096428670.db2.gz SDSRITZJHCWEGR-GWCFXTLKSA-N -1 3 346.391 2.781 20 5 EFBDHM CC(C)(C)[C@@H]1C[C@@H](Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCO1 ZINC001603062804 1096428674 /nfs/dbraw/zinc/42/86/74/1096428674.db2.gz SDSRITZJHCWEGR-GWCFXTLKSA-N -1 3 346.391 2.781 20 5 EFBDHM CC(C)[C@@H]1C[C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC001603241249 1096483056 /nfs/dbraw/zinc/48/30/56/1096483056.db2.gz NVMFWFHITVQTNQ-NHYWBVRUSA-N -1 3 346.391 2.638 20 5 EFBDHM CC(C)[C@@H]1C[C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO1 ZINC001603241249 1096483061 /nfs/dbraw/zinc/48/30/61/1096483061.db2.gz NVMFWFHITVQTNQ-NHYWBVRUSA-N -1 3 346.391 2.638 20 5 EFBDHM CC(C)[C@@H]1CCCN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001603245910 1096484535 /nfs/dbraw/zinc/48/45/35/1096484535.db2.gz MMCMELGHLXYLLU-SNVBAGLBSA-N -1 3 334.355 2.786 20 5 EFBDHM CC(C)[C@@H]1CCCN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001603245910 1096484537 /nfs/dbraw/zinc/48/45/37/1096484537.db2.gz MMCMELGHLXYLLU-SNVBAGLBSA-N -1 3 334.355 2.786 20 5 EFBDHM CC(C)(C)[C@H](NCc1cc([N+](=O)[O-])ccc1Br)C(=O)[O-] ZINC001603528986 1096545280 /nfs/dbraw/zinc/54/52/80/1096545280.db2.gz DEUCYDOTXGWKDK-LLVKDONJSA-N -1 3 345.193 2.946 20 5 EFBDHM C[C@H](Nc1ccc(N)cc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC001603683017 1096590285 /nfs/dbraw/zinc/59/02/85/1096590285.db2.gz AEZQWGDESORSHM-VIFPVBQESA-N -1 3 325.332 2.530 20 5 EFBDHM C[C@H](Nc1ccc(N)cc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC001603683017 1096590287 /nfs/dbraw/zinc/59/02/87/1096590287.db2.gz AEZQWGDESORSHM-VIFPVBQESA-N -1 3 325.332 2.530 20 5 EFBDHM CC1(C)C[C@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CCS1 ZINC001603763859 1096618407 /nfs/dbraw/zinc/61/84/07/1096618407.db2.gz DZKLCZIOYYKTHN-SNVBAGLBSA-N -1 3 334.405 2.861 20 5 EFBDHM CC1(C)C[C@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CCS1 ZINC001603763859 1096618409 /nfs/dbraw/zinc/61/84/09/1096618409.db2.gz DZKLCZIOYYKTHN-SNVBAGLBSA-N -1 3 334.405 2.861 20 5 EFBDHM CC1(C)C[C@@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CCS1 ZINC001603763855 1096618525 /nfs/dbraw/zinc/61/85/25/1096618525.db2.gz DZKLCZIOYYKTHN-JTQLQIEISA-N -1 3 334.405 2.861 20 5 EFBDHM CC1(C)C[C@@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CCS1 ZINC001603763855 1096618529 /nfs/dbraw/zinc/61/85/29/1096618529.db2.gz DZKLCZIOYYKTHN-JTQLQIEISA-N -1 3 334.405 2.861 20 5 EFBDHM C[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C[C@H]1C ZINC001603882236 1096656227 /nfs/dbraw/zinc/65/62/27/1096656227.db2.gz QRJMBZLZBSSBKV-OPRDCNLKSA-N -1 3 331.380 2.594 20 5 EFBDHM C[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C[C@H]1C ZINC001603882236 1096656232 /nfs/dbraw/zinc/65/62/32/1096656232.db2.gz QRJMBZLZBSSBKV-OPRDCNLKSA-N -1 3 331.380 2.594 20 5 EFBDHM C[C@@H]1CCC[C@H](C(=O)OCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001603884140 1096657039 /nfs/dbraw/zinc/65/70/39/1096657039.db2.gz ICRKQZUNQLDEFW-MNOVXSKESA-N -1 3 345.359 2.644 20 5 EFBDHM C[C@@H]1CCC[C@H](C(=O)OCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001603884140 1096657042 /nfs/dbraw/zinc/65/70/42/1096657042.db2.gz ICRKQZUNQLDEFW-MNOVXSKESA-N -1 3 345.359 2.644 20 5 EFBDHM C[C@H]1CCCC[C@H]1C(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603890674 1096660558 /nfs/dbraw/zinc/66/05/58/1096660558.db2.gz DGRIIZVXYPKJDK-GXFFZTMASA-N -1 3 345.359 2.644 20 5 EFBDHM C[C@H]1CCCC[C@H]1C(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603890674 1096660563 /nfs/dbraw/zinc/66/05/63/1096660563.db2.gz DGRIIZVXYPKJDK-GXFFZTMASA-N -1 3 345.359 2.644 20 5 EFBDHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)[C@H]2CCCC[C@H]12 ZINC001603938635 1096675325 /nfs/dbraw/zinc/67/53/25/1096675325.db2.gz GAWHQBCNPTUXLN-QKCSRTOESA-N -1 3 328.376 2.790 20 5 EFBDHM C[C@H]1Cc2ccccc2CN1c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001603952884 1096681981 /nfs/dbraw/zinc/68/19/81/1096681981.db2.gz OKSFFDKSDIQVBN-NSHDSACASA-N -1 3 336.355 2.726 20 5 EFBDHM CC[C@@H](C)n1ncc(Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c1C ZINC001604010951 1096696798 /nfs/dbraw/zinc/69/67/98/1096696798.db2.gz JCZSHTIDVKRIIZ-SECBINFHSA-N -1 3 342.363 2.994 20 5 EFBDHM CC[C@@H](C)n1ncc(Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c1C ZINC001604010951 1096696800 /nfs/dbraw/zinc/69/68/00/1096696800.db2.gz JCZSHTIDVKRIIZ-SECBINFHSA-N -1 3 342.363 2.994 20 5 EFBDHM CCC(CC)(CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-])OC ZINC001604020561 1096701601 /nfs/dbraw/zinc/70/16/01/1096701601.db2.gz YDFPTDCZFPROCQ-UHFFFAOYSA-N -1 3 338.343 2.531 20 5 EFBDHM CCC(CC)(CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-])OC ZINC001604020561 1096701605 /nfs/dbraw/zinc/70/16/05/1096701605.db2.gz YDFPTDCZFPROCQ-UHFFFAOYSA-N -1 3 338.343 2.531 20 5 EFBDHM CCC1(CC)CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001604084576 1096725567 /nfs/dbraw/zinc/72/55/67/1096725567.db2.gz ABRNOIQXFGWNGX-UHFFFAOYSA-N -1 3 345.407 2.967 20 5 EFBDHM CCC1(CC)CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001604084576 1096725571 /nfs/dbraw/zinc/72/55/71/1096725571.db2.gz ABRNOIQXFGWNGX-UHFFFAOYSA-N -1 3 345.407 2.967 20 5 EFBDHM CCC[C@@H](CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-])OCC ZINC001604143823 1096749745 /nfs/dbraw/zinc/74/97/45/1096749745.db2.gz MCZRNRQJUMZZNL-VIFPVBQESA-N -1 3 338.343 2.531 20 5 EFBDHM CCC[C@@H](CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-])OCC ZINC001604143823 1096749752 /nfs/dbraw/zinc/74/97/52/1096749752.db2.gz MCZRNRQJUMZZNL-VIFPVBQESA-N -1 3 338.343 2.531 20 5 EFBDHM CCCc1nc(C)c(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])o1 ZINC001604247228 1096784739 /nfs/dbraw/zinc/78/47/39/1096784739.db2.gz YPTXCNJFZKFNFQ-UHFFFAOYSA-N -1 3 343.347 2.636 20 5 EFBDHM CCCc1nc(C)c(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])o1 ZINC001604247228 1096784744 /nfs/dbraw/zinc/78/47/44/1096784744.db2.gz YPTXCNJFZKFNFQ-UHFFFAOYSA-N -1 3 343.347 2.636 20 5 EFBDHM CCO[C@H](CCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])C(C)C ZINC001604404444 1096839353 /nfs/dbraw/zinc/83/93/53/1096839353.db2.gz KUEHAXGBPKCBIF-CQSZACIVSA-N -1 3 334.380 2.638 20 5 EFBDHM CCO[C@H](CCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])C(C)C ZINC001604404444 1096839363 /nfs/dbraw/zinc/83/93/63/1096839363.db2.gz KUEHAXGBPKCBIF-CQSZACIVSA-N -1 3 334.380 2.638 20 5 EFBDHM CCOc1cc(-c2nnn[n-]2)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC001604445989 1096860115 /nfs/dbraw/zinc/86/01/15/1096860115.db2.gz AEYAYLOPSFAATG-UHFFFAOYSA-N -1 3 341.327 2.753 20 5 EFBDHM CCOc1cc(-c2nn[n-]n2)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC001604445989 1096860126 /nfs/dbraw/zinc/86/01/26/1096860126.db2.gz AEYAYLOPSFAATG-UHFFFAOYSA-N -1 3 341.327 2.753 20 5 EFBDHM CCOc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC001604452099 1096862716 /nfs/dbraw/zinc/86/27/16/1096862716.db2.gz RMTWXNFGPQTBOO-UHFFFAOYSA-N -1 3 341.327 2.753 20 5 EFBDHM CCOc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC001604452099 1096862724 /nfs/dbraw/zinc/86/27/24/1096862724.db2.gz RMTWXNFGPQTBOO-UHFFFAOYSA-N -1 3 341.327 2.753 20 5 EFBDHM CN(Cc1ccc2cc[nH]c2c1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604810563 1096962773 /nfs/dbraw/zinc/96/27/73/1096962773.db2.gz RAFBUQMKXWONFI-UHFFFAOYSA-N -1 3 349.354 2.893 20 5 EFBDHM CN(Cc1ccc2cc[nH]c2c1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604810563 1096962777 /nfs/dbraw/zinc/96/27/77/1096962777.db2.gz RAFBUQMKXWONFI-UHFFFAOYSA-N -1 3 349.354 2.893 20 5 EFBDHM CN(Cc1ccccc1[N+](=O)[O-])c1cccc(F)c1-c1nnn[n-]1 ZINC001604819191 1096965350 /nfs/dbraw/zinc/96/53/50/1096965350.db2.gz VKYAKYHLRKTAMH-UHFFFAOYSA-N -1 3 328.307 2.550 20 5 EFBDHM CN(Cc1ccccc1[N+](=O)[O-])c1cccc(F)c1-c1nn[n-]n1 ZINC001604819191 1096965354 /nfs/dbraw/zinc/96/53/54/1096965354.db2.gz VKYAKYHLRKTAMH-UHFFFAOYSA-N -1 3 328.307 2.550 20 5 EFBDHM CN(Cc1ccccc1F)Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604819304 1096965870 /nfs/dbraw/zinc/96/58/70/1096965870.db2.gz YOLHEYOEPZNXPU-UHFFFAOYSA-N -1 3 342.334 2.546 20 5 EFBDHM CN(Cc1ccccc1F)Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604819304 1096965871 /nfs/dbraw/zinc/96/58/71/1096965871.db2.gz YOLHEYOEPZNXPU-UHFFFAOYSA-N -1 3 342.334 2.546 20 5 EFBDHM COc1cc(C)ccc1CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001605202846 1097049482 /nfs/dbraw/zinc/04/94/82/1097049482.db2.gz CXSDDOYFGWWHBW-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM COc1cc(C)ccc1CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001605202846 1097049486 /nfs/dbraw/zinc/04/94/86/1097049486.db2.gz CXSDDOYFGWWHBW-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM COc1ccc(F)c(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c1 ZINC001605289384 1097084298 /nfs/dbraw/zinc/08/42/98/1097084298.db2.gz WYQLSOSYSOCFHO-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM COc1ccc(F)c(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c1 ZINC001605289384 1097084304 /nfs/dbraw/zinc/08/43/04/1097084304.db2.gz WYQLSOSYSOCFHO-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM COc1ccc(Sc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)cc1 ZINC001605305987 1097088358 /nfs/dbraw/zinc/08/83/58/1097088358.db2.gz GBCIYRZGQUREAF-UHFFFAOYSA-N -1 3 344.356 2.517 20 5 EFBDHM COc1ccc(Sc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)cc1 ZINC001605305987 1097088361 /nfs/dbraw/zinc/08/83/61/1097088361.db2.gz GBCIYRZGQUREAF-UHFFFAOYSA-N -1 3 344.356 2.517 20 5 EFBDHM CSc1ccc(Oc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)cc1 ZINC001605387790 1097114246 /nfs/dbraw/zinc/11/42/46/1097114246.db2.gz SNWFSWNAONUULT-UHFFFAOYSA-N -1 3 344.356 2.871 20 5 EFBDHM CSc1ccc(Oc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)cc1 ZINC001605387790 1097114250 /nfs/dbraw/zinc/11/42/50/1097114250.db2.gz SNWFSWNAONUULT-UHFFFAOYSA-N -1 3 344.356 2.871 20 5 EFBDHM Cc1cc([C@@H](C)Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])c(C)o1 ZINC001605636360 1097175659 /nfs/dbraw/zinc/17/56/59/1097175659.db2.gz YQLOBUIERDYVEH-MRVPVSSYSA-N -1 3 329.320 2.553 20 5 EFBDHM Cc1cc([C@@H](C)Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])c(C)o1 ZINC001605636360 1097175661 /nfs/dbraw/zinc/17/56/61/1097175661.db2.gz YQLOBUIERDYVEH-MRVPVSSYSA-N -1 3 329.320 2.553 20 5 EFBDHM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001605643074 1097178557 /nfs/dbraw/zinc/17/85/57/1097178557.db2.gz AXLVIKXYTAPMEW-UHFFFAOYSA-N -1 3 344.356 2.706 20 5 EFBDHM Cc1cc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])ccc1F ZINC001605662162 1097183457 /nfs/dbraw/zinc/18/34/57/1097183457.db2.gz VSVJTYANFAXYFD-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM Cc1cc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])ccc1F ZINC001605662162 1097183460 /nfs/dbraw/zinc/18/34/60/1097183460.db2.gz VSVJTYANFAXYFD-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM Cc1cc(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])ccc1F ZINC001605661586 1097183778 /nfs/dbraw/zinc/18/37/78/1097183778.db2.gz AYTZTXOGKGINRV-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM Cc1cc(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])ccc1F ZINC001605661586 1097183779 /nfs/dbraw/zinc/18/37/79/1097183779.db2.gz AYTZTXOGKGINRV-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM Cc1cc(N2CCC(F)(C3CC3)CC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605694938 1097197682 /nfs/dbraw/zinc/19/76/82/1097197682.db2.gz RVTRUJLIPBWONR-UHFFFAOYSA-N -1 3 346.366 2.802 20 5 EFBDHM Cc1cc(N2CCC(F)(C3CC3)CC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605694938 1097197684 /nfs/dbraw/zinc/19/76/84/1097197684.db2.gz RVTRUJLIPBWONR-UHFFFAOYSA-N -1 3 346.366 2.802 20 5 EFBDHM Cc1cc(N2CCC[C@H](CCF)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605695869 1097197710 /nfs/dbraw/zinc/19/77/10/1097197710.db2.gz VJKQHVOUYFIMLE-LLVKDONJSA-N -1 3 334.355 2.659 20 5 EFBDHM Cc1cc(N2CCC[C@H](CCF)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605695869 1097197714 /nfs/dbraw/zinc/19/77/14/1097197714.db2.gz VJKQHVOUYFIMLE-LLVKDONJSA-N -1 3 334.355 2.659 20 5 EFBDHM Cc1cc(N[C@@H]2CCO[C@@H](C(C)C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605723241 1097207861 /nfs/dbraw/zinc/20/78/61/1097207861.db2.gz KKRHTKIYUVSOBK-IAQYHMDHSA-N -1 3 346.391 2.699 20 5 EFBDHM Cc1cc(N[C@@H]2CCO[C@@H](C(C)C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605723241 1097207865 /nfs/dbraw/zinc/20/78/65/1097207865.db2.gz KKRHTKIYUVSOBK-IAQYHMDHSA-N -1 3 346.391 2.699 20 5 EFBDHM Cc1cc(Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])ccc1N(C)C ZINC001605744142 1097212870 /nfs/dbraw/zinc/21/28/70/1097212870.db2.gz ASVMALCRJLOOSW-UHFFFAOYSA-N -1 3 339.359 2.893 20 5 EFBDHM Cc1cc(Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])ccc1N(C)C ZINC001605744142 1097212874 /nfs/dbraw/zinc/21/28/74/1097212874.db2.gz ASVMALCRJLOOSW-UHFFFAOYSA-N -1 3 339.359 2.893 20 5 EFBDHM Cc1cc2n[nH]cc2cc1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001605756007 1097216149 /nfs/dbraw/zinc/21/61/49/1097216149.db2.gz YKUKRGAXWXGAPA-UHFFFAOYSA-N -1 3 336.315 2.703 20 5 EFBDHM Cc1cc2n[nH]cc2cc1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001605756007 1097216152 /nfs/dbraw/zinc/21/61/52/1097216152.db2.gz YKUKRGAXWXGAPA-UHFFFAOYSA-N -1 3 336.315 2.703 20 5 EFBDHM Cc1csc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1-c1nnn[n-]1 ZINC001605823482 1097239214 /nfs/dbraw/zinc/23/92/14/1097239214.db2.gz LLZHXSRQMYSUNL-UHFFFAOYSA-N -1 3 344.356 2.706 20 5 EFBDHM Cc1csc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1-c1nn[n-]n1 ZINC001605823482 1097239217 /nfs/dbraw/zinc/23/92/17/1097239217.db2.gz LLZHXSRQMYSUNL-UHFFFAOYSA-N -1 3 344.356 2.706 20 5 EFBDHM Cc1ccc(OC(=O)c2cccc(-c3nnn[n-]3)c2C)cc1[N+](=O)[O-] ZINC001605875632 1097262670 /nfs/dbraw/zinc/26/26/70/1097262670.db2.gz KERCVEHDVSAIBX-UHFFFAOYSA-N -1 3 339.311 2.611 20 5 EFBDHM Cc1ccc(OC(=O)c2cccc(-c3nn[n-]n3)c2C)cc1[N+](=O)[O-] ZINC001605875632 1097262674 /nfs/dbraw/zinc/26/26/74/1097262674.db2.gz KERCVEHDVSAIBX-UHFFFAOYSA-N -1 3 339.311 2.611 20 5 EFBDHM Cc1ccc2c(c1)CCN(c1ccc(-c3nnn[n-]3)c([N+](=O)[O-])c1)C2 ZINC001605888813 1097267459 /nfs/dbraw/zinc/26/74/59/1097267459.db2.gz PPKVIMNYWIEVHV-UHFFFAOYSA-N -1 3 336.355 2.646 20 5 EFBDHM Cc1cnc([C@@H](C)CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])s1 ZINC001605978026 1097290709 /nfs/dbraw/zinc/29/07/09/1097290709.db2.gz LNBZUUPVPMOLSK-QMMMGPOBSA-N -1 3 345.388 2.755 20 5 EFBDHM Cc1cnc([C@@H](C)CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])s1 ZINC001605978026 1097290712 /nfs/dbraw/zinc/29/07/12/1097290712.db2.gz LNBZUUPVPMOLSK-QMMMGPOBSA-N -1 3 345.388 2.755 20 5 EFBDHM CN(CCc1ccccc1[N+](=O)[O-])Cc1ccccc1OCC(=O)[O-] ZINC001606141308 1097326682 /nfs/dbraw/zinc/32/66/82/1097326682.db2.gz RYCIMQGPCSWKIQ-UHFFFAOYSA-N -1 3 344.367 2.733 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(NCc2ccccc2Cl)c1-c1nnn[n-]1 ZINC001606451874 1097402337 /nfs/dbraw/zinc/40/23/37/1097402337.db2.gz RLIJBMZGRFOZPW-UHFFFAOYSA-N -1 3 345.750 2.623 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(NCc2ccccc2Cl)c1-c1nn[n-]n1 ZINC001606451874 1097402342 /nfs/dbraw/zinc/40/23/42/1097402342.db2.gz RLIJBMZGRFOZPW-UHFFFAOYSA-N -1 3 345.750 2.623 20 5 EFBDHM O=[N+]([O-])c1cc(N2CC[C@H]3CCCC[C@@H]3C2)ccc1-c1nnn[n-]1 ZINC001607078773 1097506464 /nfs/dbraw/zinc/50/64/64/1097506464.db2.gz LIWWRQZZNNLXEJ-VXGBXAGGSA-N -1 3 328.376 2.791 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1CSc1nccn1C1CC1 ZINC001607078720 1097506576 /nfs/dbraw/zinc/50/65/76/1097506576.db2.gz DEIKKUIXQQXYSW-UHFFFAOYSA-N -1 3 343.372 2.599 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1CSc1nccn1C1CC1 ZINC001607078720 1097506581 /nfs/dbraw/zinc/50/65/81/1097506581.db2.gz DEIKKUIXQQXYSW-UHFFFAOYSA-N -1 3 343.372 2.599 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCc1ccc2[nH]ccc2c1 ZINC001607079077 1097506851 /nfs/dbraw/zinc/50/68/51/1097506851.db2.gz GXAHZVBCZGXUKA-UHFFFAOYSA-N -1 3 349.354 2.911 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCc1ccc2[nH]ccc2c1 ZINC001607079077 1097506855 /nfs/dbraw/zinc/50/68/55/1097506855.db2.gz GXAHZVBCZGXUKA-UHFFFAOYSA-N -1 3 349.354 2.911 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@@H]1C1CCCC1 ZINC001607079591 1097507072 /nfs/dbraw/zinc/50/70/72/1097507072.db2.gz MVRUSVFOBBFHIZ-CYBMUJFWSA-N -1 3 328.376 2.934 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@@H]1C1CCCC1 ZINC001607079591 1097507077 /nfs/dbraw/zinc/50/70/77/1097507077.db2.gz MVRUSVFOBBFHIZ-CYBMUJFWSA-N -1 3 328.376 2.934 20 5 EFBDHM O=[N+]([O-])c1ccc(Cl)c(C=Cc2cc(-c3nnn[n-]3)ccn2)c1 ZINC001607082538 1097507860 /nfs/dbraw/zinc/50/78/60/1097507860.db2.gz ZNWRWKSZSJEREY-UPHRSURJSA-N -1 3 328.719 2.994 20 5 EFBDHM O=[N+]([O-])c1ccc(Cl)c(C=Cc2cc(-c3nn[n-]n3)ccn2)c1 ZINC001607082538 1097507866 /nfs/dbraw/zinc/50/78/66/1097507866.db2.gz ZNWRWKSZSJEREY-UPHRSURJSA-N -1 3 328.719 2.994 20 5 EFBDHM O=[N+]([O-])c1ccc(OCc2ccccc2-c2nnn[n-]2)c(F)c1F ZINC001607081584 1097507953 /nfs/dbraw/zinc/50/79/53/1097507953.db2.gz DMGAVVFWWXYMBO-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1ccc(OCc2ccccc2-c2nn[n-]n2)c(F)c1F ZINC001607081584 1097507959 /nfs/dbraw/zinc/50/79/59/1097507959.db2.gz DMGAVVFWWXYMBO-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CC(Cc2cccs2)C1 ZINC001607082429 1097508047 /nfs/dbraw/zinc/50/80/47/1097508047.db2.gz PJAQYNMTIFNWCG-UHFFFAOYSA-N -1 3 342.384 2.515 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CC(Cc2cccs2)C1 ZINC001607082429 1097508053 /nfs/dbraw/zinc/50/80/53/1097508053.db2.gz PJAQYNMTIFNWCG-UHFFFAOYSA-N -1 3 342.384 2.515 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCCCOc1ccccc1 ZINC001607082743 1097508394 /nfs/dbraw/zinc/50/83/94/1097508394.db2.gz RBWMODUFYSEGSR-UHFFFAOYSA-N -1 3 340.343 2.656 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCCCOc1ccccc1 ZINC001607082743 1097508398 /nfs/dbraw/zinc/50/83/98/1097508398.db2.gz RBWMODUFYSEGSR-UHFFFAOYSA-N -1 3 340.343 2.656 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC(c2ccc(F)cc2)C1 ZINC001607080708 1097508412 /nfs/dbraw/zinc/50/84/12/1097508412.db2.gz YSIQEGKIWQOWJP-UHFFFAOYSA-N -1 3 340.318 2.518 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC(c2ccc(F)cc2)C1 ZINC001607080708 1097508418 /nfs/dbraw/zinc/50/84/18/1097508418.db2.gz YSIQEGKIWQOWJP-UHFFFAOYSA-N -1 3 340.318 2.518 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCCCOC1CCCC1 ZINC001607081918 1097508519 /nfs/dbraw/zinc/50/85/19/1097508519.db2.gz KXDZZVCQUDXXBC-UHFFFAOYSA-N -1 3 332.364 2.536 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCCCOC1CCCC1 ZINC001607081918 1097508523 /nfs/dbraw/zinc/50/85/23/1097508523.db2.gz KXDZZVCQUDXXBC-UHFFFAOYSA-N -1 3 332.364 2.536 20 5 EFBDHM O=[N+]([O-])c1cc(NCCc2ccc(F)c(F)c2)ccc1-c1nnn[n-]1 ZINC001607080282 1097508578 /nfs/dbraw/zinc/50/85/78/1097508578.db2.gz SBUSNTNYJRXHQV-UHFFFAOYSA-N -1 3 346.297 2.708 20 5 EFBDHM O=[N+]([O-])c1ccc(CN2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC001607082200 1097508609 /nfs/dbraw/zinc/50/86/09/1097508609.db2.gz RDWUNFBZIOJPDW-UHFFFAOYSA-N -1 3 336.355 2.728 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CCSC2(CCC2)CC1 ZINC001607082378 1097508755 /nfs/dbraw/zinc/50/87/55/1097508755.db2.gz NYZVQONBVXSGCI-UHFFFAOYSA-N -1 3 346.416 2.641 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CCSC2(CCC2)CC1 ZINC001607082378 1097508759 /nfs/dbraw/zinc/50/87/59/1097508759.db2.gz NYZVQONBVXSGCI-UHFFFAOYSA-N -1 3 346.416 2.641 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@H](C2CC2)[C@H]2CCCCO2)c(-c2nnn[n-]2)c1 ZINC001607082964 1097510008 /nfs/dbraw/zinc/51/00/08/1097510008.db2.gz YJGXEWWURYUXRY-HUUCEWRRSA-N -1 3 344.375 2.535 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@H](C2CC2)[C@H]2CCCCO2)c(-c2nn[n-]n2)c1 ZINC001607082964 1097510013 /nfs/dbraw/zinc/51/00/13/1097510013.db2.gz YJGXEWWURYUXRY-HUUCEWRRSA-N -1 3 344.375 2.535 20 5 EFBDHM O=C([O-])[C@]12CN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@H]1CCCC2 ZINC001608817241 1098030786 /nfs/dbraw/zinc/03/07/86/1098030786.db2.gz HOELSXKFELDWKE-MLGOLLRUSA-N -1 3 349.343 2.580 20 5 EFBDHM CC(C)(C)O[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001609079865 1098133594 /nfs/dbraw/zinc/13/35/94/1098133594.db2.gz YEDUCTYGGPLBCZ-JGZJWPJOSA-N -1 3 332.364 2.533 20 5 EFBDHM CC(C)(C)O[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001609079865 1098133597 /nfs/dbraw/zinc/13/35/97/1098133597.db2.gz YEDUCTYGGPLBCZ-JGZJWPJOSA-N -1 3 332.364 2.533 20 5 EFBDHM CC(C)[C@@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CCO1 ZINC001609092051 1098139426 /nfs/dbraw/zinc/13/94/26/1098139426.db2.gz YTSPBVHBNPRDOJ-ABAIWWIYSA-N -1 3 346.391 2.638 20 5 EFBDHM CC(C)c1cccc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC001609105620 1098148698 /nfs/dbraw/zinc/14/86/98/1098148698.db2.gz NLQUASDNSKQFBG-UHFFFAOYSA-N -1 3 339.359 2.905 20 5 EFBDHM CC(C)c1cccc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC001609105620 1098148700 /nfs/dbraw/zinc/14/87/00/1098148700.db2.gz NLQUASDNSKQFBG-UHFFFAOYSA-N -1 3 339.359 2.905 20 5 EFBDHM C[C@@](O)(CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC001609127510 1098159744 /nfs/dbraw/zinc/15/97/44/1098159744.db2.gz KMRCNPXMRJOKGI-MRXNPFEDSA-N -1 3 346.391 2.518 20 5 EFBDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001609140921 1098166319 /nfs/dbraw/zinc/16/63/19/1098166319.db2.gz WYQVIFNBDOWKGX-LLVKDONJSA-N -1 3 336.355 2.852 20 5 EFBDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001609140921 1098166323 /nfs/dbraw/zinc/16/63/23/1098166323.db2.gz WYQVIFNBDOWKGX-LLVKDONJSA-N -1 3 336.355 2.852 20 5 EFBDHM CC1(C)CC[C@@H]1Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001609144926 1098168279 /nfs/dbraw/zinc/16/82/79/1098168279.db2.gz SVBPCGDUOWGNII-ZDUSSCGKSA-N -1 3 339.359 2.924 20 5 EFBDHM CC1(C)CC[C@@H]1Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001609144926 1098168281 /nfs/dbraw/zinc/16/82/81/1098168281.db2.gz SVBPCGDUOWGNII-ZDUSSCGKSA-N -1 3 339.359 2.924 20 5 EFBDHM C[C@@H]1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@H]1C ZINC001609162890 1098175457 /nfs/dbraw/zinc/17/54/57/1098175457.db2.gz MLNIMFQIZDUZNF-OUAUKWLOSA-N -1 3 331.380 2.654 20 5 EFBDHM C[C@@H]1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@H]1C ZINC001609162890 1098175462 /nfs/dbraw/zinc/17/54/62/1098175462.db2.gz MLNIMFQIZDUZNF-OUAUKWLOSA-N -1 3 331.380 2.654 20 5 EFBDHM C[C@H]1CCC[C@@H]1CC(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609163700 1098178134 /nfs/dbraw/zinc/17/81/34/1098178134.db2.gz DIELMTJMYQHSKM-WDEREUQCSA-N -1 3 345.359 2.644 20 5 EFBDHM C[C@H]1CCC[C@@H]1CC(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609163700 1098178139 /nfs/dbraw/zinc/17/81/39/1098178139.db2.gz DIELMTJMYQHSKM-WDEREUQCSA-N -1 3 345.359 2.644 20 5 EFBDHM C[C@@H]1CCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC12CCC2 ZINC001609169188 1098181837 /nfs/dbraw/zinc/18/18/37/1098181837.db2.gz WIGVHRQSQREFSP-LLVKDONJSA-N -1 3 328.376 2.791 20 5 EFBDHM C[C@@H]1CCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CC12CCC2 ZINC001609169188 1098181841 /nfs/dbraw/zinc/18/18/41/1098181841.db2.gz WIGVHRQSQREFSP-LLVKDONJSA-N -1 3 328.376 2.791 20 5 EFBDHM C[C@@H]1Oc2ccccc2[C@@H]1Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609179520 1098184194 /nfs/dbraw/zinc/18/41/94/1098184194.db2.gz SXDAHBJISGMMGV-BJOHPYRUSA-N -1 3 338.327 2.709 20 5 EFBDHM CCO[C@H]1C[C@H](Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C12CCC2 ZINC001609238374 1098215363 /nfs/dbraw/zinc/21/53/63/1098215363.db2.gz KBJAHRMKIBUNNP-STQMWFEESA-N -1 3 344.375 2.535 20 5 EFBDHM CCO[C@H]1C[C@H](Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C12CCC2 ZINC001609238374 1098215366 /nfs/dbraw/zinc/21/53/66/1098215366.db2.gz KBJAHRMKIBUNNP-STQMWFEESA-N -1 3 344.375 2.535 20 5 EFBDHM CCO[C@@H]1C[C@H](Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C12CCC2 ZINC001609238373 1098216780 /nfs/dbraw/zinc/21/67/80/1098216780.db2.gz KBJAHRMKIBUNNP-QWHCGFSZSA-N -1 3 344.375 2.535 20 5 EFBDHM CCO[C@@H]1C[C@H](Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C12CCC2 ZINC001609238373 1098216783 /nfs/dbraw/zinc/21/67/83/1098216783.db2.gz KBJAHRMKIBUNNP-QWHCGFSZSA-N -1 3 344.375 2.535 20 5 EFBDHM CCOc1cc(-c2nnn[n-]2)ccc1OCc1csc([N+](=O)[O-])c1 ZINC001609242496 1098218586 /nfs/dbraw/zinc/21/85/86/1098218586.db2.gz PBWLZCJJEZKDTA-UHFFFAOYSA-N -1 3 347.356 2.814 20 5 EFBDHM CCOc1cc(-c2nn[n-]n2)ccc1OCc1csc([N+](=O)[O-])c1 ZINC001609242496 1098218590 /nfs/dbraw/zinc/21/85/90/1098218590.db2.gz PBWLZCJJEZKDTA-UHFFFAOYSA-N -1 3 347.356 2.814 20 5 EFBDHM CN(Cc1cc(F)cc(F)c1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609277439 1098236338 /nfs/dbraw/zinc/23/63/38/1098236338.db2.gz GLFUKXRZROSYQH-UHFFFAOYSA-N -1 3 346.297 2.690 20 5 EFBDHM CN(Cc1cc(F)cc(F)c1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609277439 1098236341 /nfs/dbraw/zinc/23/63/41/1098236341.db2.gz GLFUKXRZROSYQH-UHFFFAOYSA-N -1 3 346.297 2.690 20 5 EFBDHM COC1(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCCCC1 ZINC001609311978 1098244659 /nfs/dbraw/zinc/24/46/59/1098244659.db2.gz LUTLDDGUKBFREX-UHFFFAOYSA-N -1 3 332.364 2.536 20 5 EFBDHM COC1(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCCCC1 ZINC001609311978 1098244662 /nfs/dbraw/zinc/24/46/62/1098244662.db2.gz LUTLDDGUKBFREX-UHFFFAOYSA-N -1 3 332.364 2.536 20 5 EFBDHM COCC(C)(C)CCCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609316155 1098246795 /nfs/dbraw/zinc/24/67/95/1098246795.db2.gz IIRPLBYRQGLJRX-UHFFFAOYSA-N -1 3 334.380 2.640 20 5 EFBDHM COCC(C)(C)CCCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609316155 1098246800 /nfs/dbraw/zinc/24/68/00/1098246800.db2.gz IIRPLBYRQGLJRX-UHFFFAOYSA-N -1 3 334.380 2.640 20 5 EFBDHM COc1ccc(Sc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC001609358656 1098266774 /nfs/dbraw/zinc/26/67/74/1098266774.db2.gz QBOTWOGIRGQWKO-UHFFFAOYSA-N -1 3 329.341 2.935 20 5 EFBDHM COc1ccc(Sc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC001609358656 1098266779 /nfs/dbraw/zinc/26/67/79/1098266779.db2.gz QBOTWOGIRGQWKO-UHFFFAOYSA-N -1 3 329.341 2.935 20 5 EFBDHM Cc1c(OCc2ccc(-c3nnn[n-]3)c(F)c2)cccc1[N+](=O)[O-] ZINC001609385673 1098278783 /nfs/dbraw/zinc/27/87/83/1098278783.db2.gz RGEPVIGDMGOZJU-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1c(OCc2ccc(-c3nn[n-]n3)c(F)c2)cccc1[N+](=O)[O-] ZINC001609385673 1098278788 /nfs/dbraw/zinc/27/87/88/1098278788.db2.gz RGEPVIGDMGOZJU-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1cc(-c2nnn[n-]2)ccc1COc1ccc([N+](=O)[O-])cc1F ZINC001609388585 1098281578 /nfs/dbraw/zinc/28/15/78/1098281578.db2.gz WIONXNIMZUAYDS-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1cc(-c2nn[n-]n2)ccc1COc1ccc([N+](=O)[O-])cc1F ZINC001609388585 1098281583 /nfs/dbraw/zinc/28/15/83/1098281583.db2.gz WIONXNIMZUAYDS-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(-c2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC001609428166 1098314092 /nfs/dbraw/zinc/31/40/92/1098314092.db2.gz KPDPSVHTBSDNSG-UHFFFAOYSA-N -1 3 349.310 2.800 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(-c2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC001609428166 1098314097 /nfs/dbraw/zinc/31/40/97/1098314097.db2.gz KPDPSVHTBSDNSG-UHFFFAOYSA-N -1 3 349.310 2.800 20 5 EFBDHM Nc1ccc(OCc2ccc(-c3nnn[n-]3)cc2Cl)cc1[N+](=O)[O-] ZINC001609513124 1098365800 /nfs/dbraw/zinc/36/58/00/1098365800.db2.gz NIVCGGYJXZKKTQ-UHFFFAOYSA-N -1 3 346.734 2.590 20 5 EFBDHM Nc1ccc(OCc2ccc(-c3nn[n-]n3)cc2Cl)cc1[N+](=O)[O-] ZINC001609513124 1098365806 /nfs/dbraw/zinc/36/58/06/1098365806.db2.gz NIVCGGYJXZKKTQ-UHFFFAOYSA-N -1 3 346.734 2.590 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1Oc1cccc(-n2ccnc2)c1 ZINC001609601142 1098394384 /nfs/dbraw/zinc/39/43/84/1098394384.db2.gz CEDTVCQVEHNRRV-UHFFFAOYSA-N -1 3 349.310 2.753 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1Oc1cccc(-n2ccnc2)c1 ZINC001609601142 1098394389 /nfs/dbraw/zinc/39/43/89/1098394389.db2.gz CEDTVCQVEHNRRV-UHFFFAOYSA-N -1 3 349.310 2.753 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCOC1CCCCC1 ZINC001609600351 1098394456 /nfs/dbraw/zinc/39/44/56/1098394456.db2.gz FGRFCZFXRWSXKY-UHFFFAOYSA-N -1 3 332.364 2.536 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCOC1CCCCC1 ZINC001609600351 1098394462 /nfs/dbraw/zinc/39/44/62/1098394462.db2.gz FGRFCZFXRWSXKY-UHFFFAOYSA-N -1 3 332.364 2.536 20 5 EFBDHM O=[N+]([O-])c1cccc([N+](=O)[O-])c1Sc1cccc(-c2nnn[n-]2)c1 ZINC001609603484 1098395600 /nfs/dbraw/zinc/39/56/00/1098395600.db2.gz HGCKTPKUAHKKDS-UHFFFAOYSA-N -1 3 344.312 2.834 20 5 EFBDHM O=[N+]([O-])c1cccc([N+](=O)[O-])c1Sc1cccc(-c2nn[n-]n2)c1 ZINC001609603484 1098395605 /nfs/dbraw/zinc/39/56/05/1098395605.db2.gz HGCKTPKUAHKKDS-UHFFFAOYSA-N -1 3 344.312 2.834 20 5 EFBDHM O=[N+]([O-])c1ccccc1OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC001609603431 1098396163 /nfs/dbraw/zinc/39/61/63/1098396163.db2.gz DEMPQWPLXLBQTB-UHFFFAOYSA-N -1 3 336.311 2.607 20 5 EFBDHM O=[N+]([O-])c1ccccc1OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC001609603431 1098396168 /nfs/dbraw/zinc/39/61/68/1098396168.db2.gz DEMPQWPLXLBQTB-UHFFFAOYSA-N -1 3 336.311 2.607 20 5 EFBDHM CC[C@@H](C)N[C@H](CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])c1ccco1 ZINC001609909498 1098490992 /nfs/dbraw/zinc/49/09/92/1098490992.db2.gz BSOOFXMVQPEVGY-ZYHUDNBSSA-N -1 3 348.359 2.822 20 5 EFBDHM CN(CCN(C)c1ccc([N+](=O)[O-])cc1F)C(=O)c1ccccc1[O-] ZINC001105331054 1099080705 /nfs/dbraw/zinc/08/07/05/1099080705.db2.gz NTVLZBLVJMIKOR-UHFFFAOYSA-N -1 3 347.346 2.648 20 5 EFBDHM Cc1cc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c(C)o1 ZINC000067432800 1101527375 /nfs/dbraw/zinc/52/73/75/1101527375.db2.gz FFGVWABEEYFYTF-VIFPVBQESA-N -1 3 342.348 2.983 20 5 EFBDHM CC/C=C(/C)C(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC1 ZINC001104367711 1102301881 /nfs/dbraw/zinc/30/18/81/1102301881.db2.gz FKJGHCNJMDROPW-SDQBBNPISA-N -1 3 348.403 2.893 20 5 EFBDHM CN1CCN(Cc2ccc(Nc3ccc([O-])c([N+](=O)[O-])c3)cc2)CC1 ZINC001210400737 1102559469 /nfs/dbraw/zinc/55/94/69/1102559469.db2.gz KPDQZLUHGNCXLO-UHFFFAOYSA-N -1 3 342.399 2.791 20 5 EFBDHM O=C(/C=C/C1CC1)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC1 ZINC001104380434 1102639743 /nfs/dbraw/zinc/63/97/43/1102639743.db2.gz PUJVGMIQDFBIQI-AATRIKPKSA-N -1 3 346.387 2.503 20 5 EFBDHM CCN(CCNc1ncc([N+](=O)[O-])cc1C)C(=O)c1ccccc1[O-] ZINC001106695223 1111723608 /nfs/dbraw/zinc/72/36/08/1111723608.db2.gz SNQDLKTUTJLRDU-UHFFFAOYSA-N -1 3 344.371 2.578 20 5 EFBDHM CCc1[nH]nc(C(=O)[N-]c2nc3c(s2)CCCCC3)c1[N+](=O)[O-] ZINC000171762235 529469546 /nfs/dbraw/zinc/46/95/46/529469546.db2.gz ZZTYICKUZOUENG-UHFFFAOYSA-N -1 3 335.389 2.858 20 5 EFBDHM CCC(CC)[C@@H](CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])OC ZINC000352863425 535101578 /nfs/dbraw/zinc/10/15/78/535101578.db2.gz USEWQKPKCBNFNL-CQSZACIVSA-N -1 3 344.433 2.714 20 5 EFBDHM C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@H](c1ccccc1)N(C)C ZINC000436938090 299247203 /nfs/dbraw/zinc/24/72/03/299247203.db2.gz JXKQGHMLQMAGEM-YVEFUNNKSA-N -1 3 343.383 2.722 20 5 EFBDHM Cc1cnc(C(C)(C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000185917723 235785536 /nfs/dbraw/zinc/78/55/36/235785536.db2.gz LYCJJFUTBNSMLR-UHFFFAOYSA-N -1 3 341.414 2.573 20 5 EFBDHM O=C(Nc1ccc(N2CCCC2)c(F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186981285 236084877 /nfs/dbraw/zinc/08/48/77/236084877.db2.gz OKEIRBMDMUGQIW-UHFFFAOYSA-N -1 3 346.318 2.687 20 5 EFBDHM O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])NCc1cc(F)cc(F)c1 ZINC000426809134 295987936 /nfs/dbraw/zinc/98/79/36/295987936.db2.gz CDSHNDBRXXNJSB-AWEZNQCLSA-N -1 3 336.294 2.659 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)c1cccc(O)c1 ZINC000160181068 239045989 /nfs/dbraw/zinc/04/59/89/239045989.db2.gz MQOZPCPRRRMHKY-LLVKDONJSA-N -1 3 336.369 2.648 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000023391435 212374111 /nfs/dbraw/zinc/37/41/11/212374111.db2.gz LFELAPOROTYPAU-GMXVVIOVSA-N -1 3 342.417 2.706 20 5 EFBDHM O=C([N-]c1ncc(-c2ccc(F)cc2)s1)c1n[nH]cc1[N+](=O)[O-] ZINC000191720855 240002906 /nfs/dbraw/zinc/00/29/06/240002906.db2.gz CTISJTVDLNOLJQ-UHFFFAOYSA-N -1 3 333.304 2.833 20 5 EFBDHM O=C(Nc1cccc2ccc(O)cc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193740856 240123138 /nfs/dbraw/zinc/12/31/38/240123138.db2.gz VZCGPZCEARWEAT-UHFFFAOYSA-N -1 3 325.280 2.807 20 5 EFBDHM O=C(Nc1cccc(-n2ccnc2)c1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000194556203 240161709 /nfs/dbraw/zinc/16/17/09/240161709.db2.gz QSUQDAUVRZPSPP-UHFFFAOYSA-N -1 3 348.322 2.909 20 5 EFBDHM O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCCc2cccc([O-])c21 ZINC000352662760 296189423 /nfs/dbraw/zinc/18/94/23/296189423.db2.gz AMCLKKVYXLFGGP-UHFFFAOYSA-N -1 3 342.307 2.622 20 5 EFBDHM Cc1ccc2c(Cn3ccc(C)c([N+](=O)[O-])c3=O)ccc([O-])c2n1 ZINC000427809586 247395525 /nfs/dbraw/zinc/39/55/25/247395525.db2.gz VKBYUUAJJGDPTC-UHFFFAOYSA-N -1 3 325.324 2.675 20 5 EFBDHM COc1ccc([N-]C(=O)c2noc3c2C[C@H](C)CC3)c([N+](=O)[O-])c1 ZINC000433575871 248072336 /nfs/dbraw/zinc/07/23/36/248072336.db2.gz OZGPMWXTTIVYSF-SECBINFHSA-N -1 3 331.328 2.969 20 5 EFBDHM CC(=O)Nc1ccc(F)c([N-]C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c1 ZINC000433679766 248079670 /nfs/dbraw/zinc/07/96/70/248079670.db2.gz MYWXDPQZXNABJW-UHFFFAOYSA-N -1 3 349.322 2.791 20 5 EFBDHM Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc2[nH]ncc21 ZINC000442246081 250074806 /nfs/dbraw/zinc/07/48/06/250074806.db2.gz XFEGMXMDRRZGCT-UHFFFAOYSA-N -1 3 332.341 2.580 20 5 EFBDHM COc1cc(CNC[C@@](C)(OC)c2ccccc2)c([N+](=O)[O-])cc1[O-] ZINC000449485160 251041063 /nfs/dbraw/zinc/04/10/63/251041063.db2.gz PGIYHNSBDJKLSI-GOSISDBHSA-N -1 3 346.383 2.960 20 5 EFBDHM Cc1cc(N2CCN(C(=O)c3ccccc3[O-])CC2)ccc1[N+](=O)[O-] ZINC000097474571 219027157 /nfs/dbraw/zinc/02/71/57/219027157.db2.gz LTHJIABFYLBTRZ-UHFFFAOYSA-N -1 3 341.367 2.571 20 5 EFBDHM CCN1C(=O)c2ccccc2N[C@@H]1c1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000030543159 285176925 /nfs/dbraw/zinc/17/69/25/285176925.db2.gz LJDDLSRFPBHGOP-INIZCTEOSA-N -1 3 343.339 2.895 20 5 EFBDHM COc1cc(C(=O)[N-]c2nnc(C(F)F)s2)cc([N+](=O)[O-])c1C ZINC000190100161 533559896 /nfs/dbraw/zinc/55/98/96/533559896.db2.gz HNESDULCLGTYLS-UHFFFAOYSA-N -1 3 344.299 2.953 20 5 EFBDHM O=C(Nc1ncccc1[O-])c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000346299629 142185715 /nfs/dbraw/zinc/18/57/15/142185715.db2.gz CBOKQSAEGNETNY-UHFFFAOYSA-N -1 3 327.218 2.967 20 5 EFBDHM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc2[nH]ncc21 ZINC000346446505 142205477 /nfs/dbraw/zinc/20/54/77/142205477.db2.gz AUODCWIRIRUVHX-UHFFFAOYSA-N -1 3 346.368 2.889 20 5 EFBDHM O=C(c1csc(=O)[n-]1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000350021049 142390866 /nfs/dbraw/zinc/39/08/66/142390866.db2.gz XEOMSKSRKFDYGJ-GFCCVEGCSA-N -1 3 337.382 2.645 20 5 EFBDHM CCOC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)c([O-])c1 ZINC000340591149 144896200 /nfs/dbraw/zinc/89/62/00/144896200.db2.gz JKDUZCPVJHFQMD-UHFFFAOYSA-N -1 3 330.296 2.729 20 5 EFBDHM CC(C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000342396677 145117213 /nfs/dbraw/zinc/11/72/13/145117213.db2.gz FXXBNYCXUMBDIL-UHFFFAOYSA-N -1 3 338.360 2.948 20 5 EFBDHM O=C([N-]c1ncnn1-c1ccccc1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000342483900 145135738 /nfs/dbraw/zinc/13/57/38/145135738.db2.gz SSBOTIZPRGVWQR-UHFFFAOYSA-N -1 3 349.306 2.596 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-]CCSCC(C)C)cc1[N+](=O)[O-] ZINC000342527564 145143294 /nfs/dbraw/zinc/14/32/94/145143294.db2.gz MPEDKIPLMNUTBQ-UHFFFAOYSA-N -1 3 338.476 2.632 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCOCCC(C)C)cc1C ZINC000343624794 145255750 /nfs/dbraw/zinc/25/57/50/145255750.db2.gz HXWQJBNCIZUJKE-UHFFFAOYSA-N -1 3 344.433 2.553 20 5 EFBDHM Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000351738192 146191381 /nfs/dbraw/zinc/19/13/81/146191381.db2.gz QNTQYQPLTRBOQP-UHFFFAOYSA-N -1 3 342.233 2.549 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]C(C)(C)c2ccc(C)nc2)c([N+](=O)[O-])c1 ZINC000352996987 146370195 /nfs/dbraw/zinc/37/01/95/146370195.db2.gz BIUZJKRCJQVXCJ-UHFFFAOYSA-N -1 3 349.412 2.820 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](C)C(F)(F)F)cc1C ZINC000356702618 147313448 /nfs/dbraw/zinc/31/34/48/147313448.db2.gz OLBHRJIHGBAOHH-VIFPVBQESA-N -1 3 340.323 2.688 20 5 EFBDHM CC[C@@H](C)N[C@@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccco1 ZINC000359538221 148114827 /nfs/dbraw/zinc/11/48/27/148114827.db2.gz HKCKBLPURPEPHP-ABAIWWIYSA-N -1 3 347.371 2.753 20 5 EFBDHM CC(C)Oc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(F)c1 ZINC000359668049 148157419 /nfs/dbraw/zinc/15/74/19/148157419.db2.gz ZOGMJACSKKICEK-UHFFFAOYSA-N -1 3 335.291 2.874 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCCc1ccccc1F ZINC000360351703 148338751 /nfs/dbraw/zinc/33/87/51/148338751.db2.gz IVQMONUMTRPRPI-UHFFFAOYSA-N -1 3 338.360 2.645 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2c3ccccc3O[C@@H]2C)c([N+](=O)[O-])c1 ZINC000341896923 292183846 /nfs/dbraw/zinc/18/38/46/292183846.db2.gz LACUFOIKGRDWAH-BZNIZROVSA-N -1 3 348.380 2.704 20 5 EFBDHM O=C(Nc1nc(-c2ccccc2F)co1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000373644785 151203921 /nfs/dbraw/zinc/20/39/21/151203921.db2.gz AJTYSMJOULIHKI-UHFFFAOYSA-N -1 3 344.258 2.742 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000352127055 286250010 /nfs/dbraw/zinc/25/00/10/286250010.db2.gz HWRBVQVXDKRCOZ-SDDRHHMPSA-N -1 3 342.417 2.706 20 5 EFBDHM COc1ccc([N-]S(=O)(=O)Cc2ccccc2C)cc1[N+](=O)[O-] ZINC000358166563 164649776 /nfs/dbraw/zinc/64/97/76/164649776.db2.gz MDEBSUIVIRFZBH-UHFFFAOYSA-N -1 3 336.369 2.854 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CC(=O)c2ccccc21 ZINC000354080267 292588265 /nfs/dbraw/zinc/58/82/65/292588265.db2.gz RQAYFCABMRBAPN-CYBMUJFWSA-N -1 3 346.364 2.509 20 5 EFBDHM CC(C)(C)c1cc([N-]C(=O)Cn2cc([N+](=O)[O-])c(C3CC3)n2)on1 ZINC000185178786 265036472 /nfs/dbraw/zinc/03/64/72/265036472.db2.gz HHLYEQYKVIKHQF-UHFFFAOYSA-N -1 3 333.348 2.593 20 5 EFBDHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccncc2F)cc1[N+](=O)[O-] ZINC000191906483 265282616 /nfs/dbraw/zinc/28/26/16/265282616.db2.gz ISUCQNUIQBPSSQ-UHFFFAOYSA-N -1 3 325.321 2.547 20 5 EFBDHM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]CCCC(F)(F)F ZINC000272234279 266198511 /nfs/dbraw/zinc/19/85/11/266198511.db2.gz PSQWOTZHCRMLIY-UHFFFAOYSA-N -1 3 344.286 2.663 20 5 EFBDHM C[C@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)N(C)Cc1ccccc1 ZINC000272491428 266282353 /nfs/dbraw/zinc/28/23/53/266282353.db2.gz HGTQSZQOTPEPJX-CYBMUJFWSA-N -1 3 343.383 2.551 20 5 EFBDHM O=C(Nc1cccc(N2CCCC2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000277928713 267300869 /nfs/dbraw/zinc/30/08/69/267300869.db2.gz QRWDQTKGRNXZRE-UHFFFAOYSA-N -1 3 328.328 2.548 20 5 EFBDHM Cc1ccc([C@@H](C)NCC(=O)[N-]OCc2ccccc2)cc1[N+](=O)[O-] ZINC000181844402 273045453 /nfs/dbraw/zinc/04/54/53/273045453.db2.gz WRHIVPVMHVNADV-CQSZACIVSA-N -1 3 343.383 2.802 20 5 EFBDHM CC(C)c1nnc([N-]C(=O)c2cc([N+](=O)[O-])c(F)cc2N)s1 ZINC000279281077 273197304 /nfs/dbraw/zinc/19/73/04/273197304.db2.gz WUHARWQDWHLBPG-UHFFFAOYSA-N -1 3 325.325 2.543 20 5 EFBDHM CC(C)c1ccc([C@@H](N)CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000285663203 274048165 /nfs/dbraw/zinc/04/81/65/274048165.db2.gz HWALEKXCIANXKN-HNNXBMFYSA-N -1 3 343.383 2.854 20 5 EFBDHM COCCCO[N-]C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000286963117 274310691 /nfs/dbraw/zinc/31/06/91/274310691.db2.gz CCPNWDHMVYQYNP-UHFFFAOYSA-N -1 3 337.254 2.703 20 5 EFBDHM CCc1c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)onc1C(F)(F)F ZINC000287774639 274484374 /nfs/dbraw/zinc/48/43/74/274484374.db2.gz HOUWGVYVQAAEAJ-UHFFFAOYSA-N -1 3 346.221 2.517 20 5 EFBDHM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC2(CCC2)c2ccccc21 ZINC000368998094 275015360 /nfs/dbraw/zinc/01/53/60/275015360.db2.gz HZOWGEXAULJYGV-UHFFFAOYSA-N -1 3 325.324 2.778 20 5 EFBDHM O=[N+]([O-])c1cnc([N-]c2cnn(-c3cnc4ccccc4n3)c2)s1 ZINC000336994197 275041627 /nfs/dbraw/zinc/04/16/27/275041627.db2.gz ZEPWGMAFAYTECH-UHFFFAOYSA-N -1 3 339.340 2.924 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H](C)CC2)c([N+](=O)[O-])c1 ZINC000442782058 277425067 /nfs/dbraw/zinc/42/50/67/277425067.db2.gz PGHXYPOZMMSORY-NEPJUHHUSA-N -1 3 342.417 2.851 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000130799307 281259900 /nfs/dbraw/zinc/25/99/00/281259900.db2.gz SIPFRHYJQVRADQ-UHFFFAOYSA-N -1 3 341.367 2.571 20 5 EFBDHM C[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@H](c1ccccc1)N(C)C ZINC000186480511 289921432 /nfs/dbraw/zinc/92/14/32/289921432.db2.gz HZZWMOLTSCZZJE-YVEFUNNKSA-N -1 3 343.383 2.722 20 5 EFBDHM CCc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])c3cccnc23)s1 ZINC000125915722 293020931 /nfs/dbraw/zinc/02/09/31/293020931.db2.gz BTIUABMSLJOTDN-UHFFFAOYSA-N -1 3 329.341 2.809 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@]2(C)CCCS2)cc1C ZINC000126160320 293030444 /nfs/dbraw/zinc/03/04/44/293030444.db2.gz MWOBNXCVENSXIE-CQSZACIVSA-N -1 3 344.458 2.776 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-]C[C@H](C)c2nccs2)cc1[N+](=O)[O-] ZINC000127083795 293058959 /nfs/dbraw/zinc/05/89/59/293058959.db2.gz HPIQBHUKMZBJES-ZETCQYMHSA-N -1 3 347.443 2.503 20 5 EFBDHM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2ccncc2F)cc1OC ZINC000132397811 293225767 /nfs/dbraw/zinc/22/57/67/293225767.db2.gz FNOIMYPHGIECCJ-UHFFFAOYSA-N -1 3 335.291 2.789 20 5 EFBDHM O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1ccc([O-])c(F)c1 ZINC000132849205 293239324 /nfs/dbraw/zinc/23/93/24/293239324.db2.gz DFAZPUHAYVBOTM-UHFFFAOYSA-N -1 3 336.344 2.848 20 5 EFBDHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C)CO2 ZINC000152545469 293338767 /nfs/dbraw/zinc/33/87/67/293338767.db2.gz PAFHSSUXURFPPV-AWEZNQCLSA-N -1 3 348.380 2.624 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]CCc2cccc([N+](=O)[O-])c2)c(F)c1 ZINC000154333367 293420993 /nfs/dbraw/zinc/42/09/93/293420993.db2.gz YXBXZZRPCYQIIQ-UHFFFAOYSA-N -1 3 338.360 2.563 20 5 EFBDHM O=C([N-]c1nnc(C2CCOCC2)s1)c1cccc([N+](=O)[O-])c1 ZINC000294414695 295163177 /nfs/dbraw/zinc/16/31/77/295163177.db2.gz UJIUNHDOURQYGK-UHFFFAOYSA-N -1 3 334.357 2.593 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1c2ccccc2O[C@@H]1C ZINC000341892053 302050353 /nfs/dbraw/zinc/05/03/53/302050353.db2.gz SSIICHPVBINEKJ-IAQYHMDHSA-N -1 3 348.380 2.704 20 5 EFBDHM O=C(NCCNc1ccc(Cl)cc1[N+](=O)[O-])c1ccc([O-])cc1 ZINC000301078878 311117819 /nfs/dbraw/zinc/11/78/19/311117819.db2.gz HEVQMKBLIOEHOX-UHFFFAOYSA-N -1 3 335.747 2.796 20 5 EFBDHM O=c1[n-]cnc2c1CN(c1ccc([N+](=O)[O-])c(-c3ccccc3)n1)CC2 ZINC000301879071 311164405 /nfs/dbraw/zinc/16/44/05/311164405.db2.gz URLPKOVNEDSLJU-UHFFFAOYSA-N -1 3 349.350 2.715 20 5 EFBDHM O=[N+]([O-])c1cnc(Sc2n[n-]c(-c3cc(F)cc(F)c3)n2)nc1 ZINC000302143224 311180135 /nfs/dbraw/zinc/18/01/35/311180135.db2.gz GAJJZAIDNBOOIU-UHFFFAOYSA-N -1 3 336.283 2.599 20 5 EFBDHM COc1ccc(Cn2ccc([N-]c3ccc([N+](=O)[O-])cn3)n2)cc1 ZINC000302360670 311188561 /nfs/dbraw/zinc/18/85/61/311188561.db2.gz CXQNBUZPGDKGRS-UHFFFAOYSA-N -1 3 325.328 2.987 20 5 EFBDHM Nc1c(C(=O)[N-]c2nnc(-c3ccco3)s2)cc(F)cc1[N+](=O)[O-] ZINC000342878187 311725989 /nfs/dbraw/zinc/72/59/89/311725989.db2.gz ZHTPCJGGNOKGRE-UHFFFAOYSA-N -1 3 349.303 2.680 20 5 EFBDHM Cn1ncc([N+](=O)[O-])c1-c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000350587003 311810181 /nfs/dbraw/zinc/81/01/81/311810181.db2.gz SSKJVUCMHJQYBZ-UHFFFAOYSA-N -1 3 337.295 2.904 20 5 EFBDHM CC(C)Oc1cc(C(=O)[N-]c2nc3n(n2)CCCC3)ccc1[N+](=O)[O-] ZINC000412410188 311986673 /nfs/dbraw/zinc/98/66/73/311986673.db2.gz OFPCJOPBPNYKRS-UHFFFAOYSA-N -1 3 345.359 2.562 20 5 EFBDHM COc1ccc(-c2ccc(CNCC3(C(=O)[O-])CC3)o2)c([N+](=O)[O-])c1 ZINC000417610387 312247572 /nfs/dbraw/zinc/24/75/72/312247572.db2.gz MCYQTGXRHRXAGI-UHFFFAOYSA-N -1 3 346.339 2.818 20 5 EFBDHM Cc1cc(N)cc(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c1 ZINC000420464334 312368711 /nfs/dbraw/zinc/36/87/11/312368711.db2.gz XMPBMLVGUIGDQK-UHFFFAOYSA-N -1 3 349.412 2.581 20 5 EFBDHM CN[C@@H](CC(C)(C)C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000423750637 312448034 /nfs/dbraw/zinc/44/80/34/312448034.db2.gz XXPKMPOKWVJYHZ-JTQLQIEISA-N -1 3 329.784 2.917 20 5 EFBDHM CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000443204737 312650318 /nfs/dbraw/zinc/65/03/18/312650318.db2.gz ASTSANFSJPIFBA-NSHDSACASA-N -1 3 340.323 2.850 20 5 EFBDHM CN(C)CCN(Cc1ccsc1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000458223297 313087087 /nfs/dbraw/zinc/08/70/87/313087087.db2.gz MTFSSRQXWZBXIC-UHFFFAOYSA-N -1 3 349.412 2.566 20 5 EFBDHM Cc1cscc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000487372078 313388436 /nfs/dbraw/zinc/38/84/36/313388436.db2.gz UFQJYTUGLDQYKC-UHFFFAOYSA-N -1 3 330.362 2.582 20 5 EFBDHM Cc1ccc([C@H](C)NC(=O)/C=C\c2cncc([O-])c2)cc1[N+](=O)[O-] ZINC000492524268 314024101 /nfs/dbraw/zinc/02/41/01/314024101.db2.gz ZYMZCKRIRBAZOF-RNZFLTOJSA-N -1 3 327.340 2.894 20 5 EFBDHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)CO2 ZINC000532421879 317399356 /nfs/dbraw/zinc/39/93/56/317399356.db2.gz WHKUXHDYDYNIHD-CQSZACIVSA-N -1 3 348.380 2.624 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)Cc2ccsc2)cc1[N+](=O)[O-] ZINC000545938594 317941929 /nfs/dbraw/zinc/94/19/29/317941929.db2.gz CHJQLAIUFKUVSZ-MRVPVSSYSA-N -1 3 346.455 2.936 20 5 EFBDHM CCOc1ccc2nc([N-]C(=O)c3c[nH]nc3[N+](=O)[O-])sc2c1 ZINC000548420080 318106013 /nfs/dbraw/zinc/10/60/13/318106013.db2.gz KUHBOSPSIRNBQQ-UHFFFAOYSA-N -1 3 333.329 2.579 20 5 EFBDHM Cc1[n-][nH]c(=O)c1CCNc1cc(C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000549118441 318166403 /nfs/dbraw/zinc/16/64/03/318166403.db2.gz MCFROKGDAJXJFR-SECBINFHSA-N -1 3 344.293 2.846 20 5 EFBDHM Cc1cc(-c2ncco2)ccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000552214373 318248330 /nfs/dbraw/zinc/24/83/30/318248330.db2.gz LRSMBOXECLIWOS-UHFFFAOYSA-N -1 3 340.295 2.911 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCCc1cccs1 ZINC000556940536 318419987 /nfs/dbraw/zinc/41/99/87/318419987.db2.gz ZRKOHWIQOLIXFQ-UHFFFAOYSA-N -1 3 340.426 2.876 20 5 EFBDHM Cc1nn(CCC(=O)Nc2c([O-])cccc2Cl)c(C)c1[N+](=O)[O-] ZINC000557184125 318430314 /nfs/dbraw/zinc/43/03/14/318430314.db2.gz STPJBMFTRUWGHI-UHFFFAOYSA-N -1 3 338.751 2.796 20 5 EFBDHM Cc1cc(Sc2n[n-]c(CO)n2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000563490627 318788897 /nfs/dbraw/zinc/78/88/97/318788897.db2.gz UVTFWOHSNPWCHB-UHFFFAOYSA-N -1 3 334.279 2.684 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCC[C@@H](F)C2)cc1C ZINC000564908890 318909373 /nfs/dbraw/zinc/90/93/73/318909373.db2.gz VJMXKLCOURTFTP-NEPJUHHUSA-N -1 3 330.381 2.771 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCC[C@@H](F)C2)cc1C ZINC000564908893 318909615 /nfs/dbraw/zinc/90/96/15/318909615.db2.gz VJMXKLCOURTFTP-VXGBXAGGSA-N -1 3 330.381 2.771 20 5 EFBDHM C[C@@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000567505231 319178964 /nfs/dbraw/zinc/17/89/64/319178964.db2.gz REHMQMYKLQMJFU-STQMWFEESA-N -1 3 335.404 2.754 20 5 EFBDHM Cc1c(Cc2nc(-c3ccc4n[n-]nc4c3)no2)cccc1[N+](=O)[O-] ZINC000568822780 319320479 /nfs/dbraw/zinc/32/04/79/319320479.db2.gz HGCZBDIEXUVWSH-UHFFFAOYSA-N -1 3 336.311 2.815 20 5 EFBDHM CC(C)CN1CCCC[C@@H]1CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000569344659 319372037 /nfs/dbraw/zinc/37/20/37/319372037.db2.gz VKFJSFZLVRAQBG-GFCCVEGCSA-N -1 3 336.392 2.610 20 5 EFBDHM CCc1ncc(C(=O)[N-]c2cc(C(=O)OC)cc([N+](=O)[O-])c2C)s1 ZINC000577255951 320092626 /nfs/dbraw/zinc/09/26/26/320092626.db2.gz MBRHWLQAQDAENB-UHFFFAOYSA-N -1 3 349.368 2.961 20 5 EFBDHM O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1ncccc1[O-] ZINC000181000202 323224678 /nfs/dbraw/zinc/22/46/78/323224678.db2.gz ALTAFXYFMWUMEV-UHFFFAOYSA-N -1 3 337.719 2.756 20 5 EFBDHM CC[C@H](CSC)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000181613035 323241284 /nfs/dbraw/zinc/24/12/84/323241284.db2.gz JGBUFLKNSAAGNK-SECBINFHSA-N -1 3 338.838 2.668 20 5 EFBDHM O=[N+]([O-])c1ccc([N-]c2ccn(CCO)n2)nc1-c1ccccc1 ZINC000536390410 468350213 /nfs/dbraw/zinc/35/02/13/468350213.db2.gz MUIXIHVDEFOULF-UHFFFAOYSA-N -1 3 325.328 2.589 20 5 EFBDHM CC(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000162675087 473370174 /nfs/dbraw/zinc/37/01/74/473370174.db2.gz VKKOGKLIYHLXIJ-UHFFFAOYSA-N -1 3 326.296 2.690 20 5 EFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CC1 ZINC000162722107 473374444 /nfs/dbraw/zinc/37/44/44/473374444.db2.gz YUCFFRZZZAAKRH-SSDOTTSWSA-N -1 3 338.307 2.690 20 5 EFBDHM CSCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000083995048 473381898 /nfs/dbraw/zinc/38/18/98/473381898.db2.gz SEFUYMYYHPAPQO-UHFFFAOYSA-N -1 3 338.838 2.588 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000007405105 471612401 /nfs/dbraw/zinc/61/24/01/471612401.db2.gz LNHWRLOHJKYCME-UHFFFAOYSA-N -1 3 344.295 2.682 20 5 EFBDHM COc1cc(C(F)(F)F)ncc1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC000616710856 479955367 /nfs/dbraw/zinc/95/53/67/479955367.db2.gz ATBBYIPTNOBOLG-UHFFFAOYSA-N -1 3 331.206 2.863 20 5 EFBDHM Cc1ccc(CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000033916315 471988257 /nfs/dbraw/zinc/98/82/57/471988257.db2.gz DTCMKFIYRZIDKW-UHFFFAOYSA-N -1 3 334.397 2.733 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000023389838 472032057 /nfs/dbraw/zinc/03/20/57/472032057.db2.gz XIYXNFINTOOISK-NSHDSACASA-N -1 3 336.369 2.643 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1nc2ccccc2s1 ZINC000025657187 472105606 /nfs/dbraw/zinc/10/56/06/472105606.db2.gz JBUWQKUGPWVLAE-UHFFFAOYSA-N -1 3 349.393 2.683 20 5 EFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000030493950 472334262 /nfs/dbraw/zinc/33/42/62/472334262.db2.gz QKHNUGCJVSYNFL-UHFFFAOYSA-N -1 3 328.390 2.605 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC1CCC(C)CC1 ZINC000057012034 472373361 /nfs/dbraw/zinc/37/33/61/472373361.db2.gz DOZAWHIXMOYLCN-UHFFFAOYSA-N -1 3 342.417 2.708 20 5 EFBDHM O=C(Nc1ccccc1-n1cccn1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000057073355 472380944 /nfs/dbraw/zinc/38/09/44/472380944.db2.gz JIJQVFQKJGYXBU-UHFFFAOYSA-N -1 3 348.322 2.909 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]C(C)(C)c2nccs2)c([N+](=O)[O-])c1 ZINC000116377360 472397807 /nfs/dbraw/zinc/39/78/07/472397807.db2.gz PEPMUJPCHXOXLP-UHFFFAOYSA-N -1 3 341.414 2.573 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c([N+](=O)[O-])c1 ZINC000154282040 472411299 /nfs/dbraw/zinc/41/12/99/472411299.db2.gz CTPOCYIOCINPHY-XOKHGSTOSA-N -1 3 344.392 2.520 20 5 EFBDHM CCC[C@@H]1CCc2nc([N-]C(=O)c3n[nH]cc3[N+](=O)[O-])sc2C1 ZINC000128280915 472429004 /nfs/dbraw/zinc/42/90/04/472429004.db2.gz NDSKLEKBDMXCEI-MRVPVSSYSA-N -1 3 335.389 2.932 20 5 EFBDHM CCOc1ccc(C(=O)[N-]c2nnc(C3CC3)s2)cc1[N+](=O)[O-] ZINC000032516303 472442464 /nfs/dbraw/zinc/44/24/64/472442464.db2.gz IWWLOABAVLIGOJ-UHFFFAOYSA-N -1 3 334.357 2.975 20 5 EFBDHM O=C(Nc1ccc2oc(C3CC3)nc2c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000128376357 472442815 /nfs/dbraw/zinc/44/28/15/472442815.db2.gz IVTTZBWGCABFOZ-UHFFFAOYSA-N -1 3 340.295 2.966 20 5 EFBDHM Cc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000097103189 472447559 /nfs/dbraw/zinc/44/75/59/472447559.db2.gz ZCNAHDQDYVXZHR-UHFFFAOYSA-N -1 3 349.412 2.766 20 5 EFBDHM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1ccc(N2CCCC2)nn1 ZINC000077031977 472448116 /nfs/dbraw/zinc/44/81/16/472448116.db2.gz DWVDWWSWVRQGSN-UHFFFAOYSA-N -1 3 349.297 2.516 20 5 EFBDHM Cn1ccnc1-c1csc([N-]C(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000118961619 472515927 /nfs/dbraw/zinc/51/59/27/472515927.db2.gz LZMKFJJASGJZHU-UHFFFAOYSA-N -1 3 335.370 2.766 20 5 EFBDHM O=C(COc1ccc([N+](=O)[O-])cc1)N1CCCc2cccc([O-])c21 ZINC000155651528 472588837 /nfs/dbraw/zinc/58/88/37/472588837.db2.gz WNDLVUQZJBXACH-UHFFFAOYSA-N -1 3 328.324 2.659 20 5 EFBDHM Cc1cc([N-]C(=O)c2cc(Br)cc([N+](=O)[O-])c2)no1 ZINC000119892959 472598518 /nfs/dbraw/zinc/59/85/18/472598518.db2.gz ZMKKORHOWGKNAR-UHFFFAOYSA-N -1 3 326.106 2.906 20 5 EFBDHM O=C(NCCCNc1ccc([N+](=O)[O-])cc1F)c1cccc([O-])c1 ZINC000060363015 472646942 /nfs/dbraw/zinc/64/69/42/472646942.db2.gz JGRUKBBYPNZGNM-UHFFFAOYSA-N -1 3 333.319 2.672 20 5 EFBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)c1cccc([O-])c1 ZINC000078001842 472650997 /nfs/dbraw/zinc/65/09/97/472650997.db2.gz FFWNTVVADNNRAO-UHFFFAOYSA-N -1 3 336.369 2.688 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)Cc1ccsc1 ZINC000060509789 472664205 /nfs/dbraw/zinc/66/42/05/472664205.db2.gz CNBLZLTUKQCXPB-NSHDSACASA-N -1 3 340.426 2.874 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]CCc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000104737737 472689538 /nfs/dbraw/zinc/68/95/38/472689538.db2.gz CTMNSDSIEJIZGT-UHFFFAOYSA-N -1 3 338.360 2.563 20 5 EFBDHM COc1cccc2c1CC[C@H]2[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000131948853 472703486 /nfs/dbraw/zinc/70/34/86/472703486.db2.gz YTPHLWFRZLDGRF-CYBMUJFWSA-N -1 3 348.380 2.569 20 5 EFBDHM Cc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1F ZINC000079254285 472837488 /nfs/dbraw/zinc/83/74/88/472837488.db2.gz VKSUGEPODOECRD-UHFFFAOYSA-N -1 3 342.323 2.660 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC(C)(C)c1ccncc1 ZINC000092264143 472884965 /nfs/dbraw/zinc/88/49/65/472884965.db2.gz QLWPEJSINWRFKB-UHFFFAOYSA-N -1 3 349.412 2.554 20 5 EFBDHM O=C([N-]c1nc[nH]n1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000135558991 473093132 /nfs/dbraw/zinc/09/31/32/473093132.db2.gz CDMZCSXMKPPVGE-UHFFFAOYSA-N -1 3 333.373 3.000 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)Cc2cccs2)cc1[N+](=O)[O-] ZINC000123088930 473095055 /nfs/dbraw/zinc/09/50/55/473095055.db2.gz FFQSBPZXWRZUDW-QMMMGPOBSA-N -1 3 346.455 2.936 20 5 EFBDHM COc1cc(S(=O)(=O)[N-]c2c(C)cccc2F)ccc1[N+](=O)[O-] ZINC000160835306 473180734 /nfs/dbraw/zinc/18/07/34/473180734.db2.gz PSCKGNQIQOJVHQ-UHFFFAOYSA-N -1 3 340.332 2.852 20 5 EFBDHM O=C([N-]c1nc2c(s1)COCC2)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000075439808 473186902 /nfs/dbraw/zinc/18/69/02/473186902.db2.gz UCAYFJPHJHEJCC-UHFFFAOYSA-N -1 3 341.295 2.655 20 5 EFBDHM O=C(Nc1ccc(-c2nc[nH]n2)cc1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000111094769 473193027 /nfs/dbraw/zinc/19/30/27/473193027.db2.gz POIAIZWWAOQQCO-UHFFFAOYSA-N -1 3 349.310 2.509 20 5 EFBDHM C[C@@H]1CCCN(C(C)(C)CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000164346804 473486753 /nfs/dbraw/zinc/48/67/53/473486753.db2.gz LJDQTRFQIFFAGS-GFCCVEGCSA-N -1 3 335.404 2.541 20 5 EFBDHM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@H](c1ccccc1)N(C)C ZINC000186477334 473679608 /nfs/dbraw/zinc/67/96/08/473679608.db2.gz OIONZOXLYMBHHJ-SJKOYZFVSA-N -1 3 343.383 2.722 20 5 EFBDHM Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c(CN(C)C)c1 ZINC000179498818 473691376 /nfs/dbraw/zinc/69/13/76/473691376.db2.gz IVQBMJUHSHZZKQ-UHFFFAOYSA-N -1 3 329.356 2.923 20 5 EFBDHM Cc1ccc(-c2cc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)n[nH]2)s1 ZINC000187050984 473809000 /nfs/dbraw/zinc/80/90/00/473809000.db2.gz KPIFKPQIKNBTQZ-UHFFFAOYSA-N -1 3 345.340 2.708 20 5 EFBDHM C[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])Cc1cccs1 ZINC000173445606 473841089 /nfs/dbraw/zinc/84/10/89/473841089.db2.gz PNOMVZZVOVDJLO-LLVKDONJSA-N -1 3 340.426 2.813 20 5 EFBDHM CN(C)CCN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])C1CCCCC1 ZINC000274642218 473907116 /nfs/dbraw/zinc/90/71/16/473907116.db2.gz BHRLHBVEBLEIQI-UHFFFAOYSA-N -1 3 335.404 2.637 20 5 EFBDHM CN(C)CCN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000274694505 473923847 /nfs/dbraw/zinc/92/38/47/473923847.db2.gz ROBJGNFJMNITCJ-UHFFFAOYSA-N -1 3 335.404 2.637 20 5 EFBDHM Cc1ncc(S(=O)(=O)[N-][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000269963648 473935538 /nfs/dbraw/zinc/93/55/38/473935538.db2.gz JLAQHIWBPATLGU-SECBINFHSA-N -1 3 341.414 2.708 20 5 EFBDHM COc1ccc(OC(C)C)c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000274999430 474036657 /nfs/dbraw/zinc/03/66/57/474036657.db2.gz NYEFHWMBOGJULL-UHFFFAOYSA-N -1 3 347.327 2.744 20 5 EFBDHM Cc1[nH]nc(C(=O)[N-]c2c(F)cccc2N2CCCC2)c1[N+](=O)[O-] ZINC000264698954 474093810 /nfs/dbraw/zinc/09/38/10/474093810.db2.gz SYUYYQMHSGKPEX-UHFFFAOYSA-N -1 3 333.323 2.618 20 5 EFBDHM CCS[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000175273093 474177834 /nfs/dbraw/zinc/17/78/34/474177834.db2.gz VZYHNOZLJNWZMM-AAEUAGOBSA-N -1 3 344.458 2.856 20 5 EFBDHM CC(C)(C)n1ncnc1[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000283082054 474296616 /nfs/dbraw/zinc/29/66/16/474296616.db2.gz RJPUGUYEGRNIQB-UHFFFAOYSA-N -1 3 339.302 2.672 20 5 EFBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1ncccc1Cl ZINC000183387655 474376674 /nfs/dbraw/zinc/37/66/74/474376674.db2.gz MCNUUUFMJMPGDN-UHFFFAOYSA-N -1 3 327.749 2.585 20 5 EFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C)c2cccnc2)c1[N+](=O)[O-] ZINC000189806774 474486656 /nfs/dbraw/zinc/48/66/56/474486656.db2.gz HJZGJIIIXPTDTH-GFCCVEGCSA-N -1 3 335.385 2.646 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000284359055 474625775 /nfs/dbraw/zinc/62/57/75/474625775.db2.gz SQMLYAAMSMAAMD-VXGBXAGGSA-N -1 3 332.360 2.520 20 5 EFBDHM CCOc1cc(CSc2ncc(C(=O)OC)[n-]2)ccc1[N+](=O)[O-] ZINC000278616739 474737672 /nfs/dbraw/zinc/73/76/72/474737672.db2.gz JJLYAJXUVBIBND-UHFFFAOYSA-N -1 3 337.357 2.796 20 5 EFBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])C(C)(C)C ZINC000609233909 480130017 /nfs/dbraw/zinc/13/00/17/480130017.db2.gz BSRPMMKMKZHVTK-CYBMUJFWSA-N -1 3 330.406 2.706 20 5 EFBDHM COC(=O)c1cnc([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)s1 ZINC000341066550 474936906 /nfs/dbraw/zinc/93/69/06/474936906.db2.gz PXTYKXCXBSYEOP-UHFFFAOYSA-N -1 3 347.308 2.836 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H]1CCCC1(C)C ZINC000339109901 474937591 /nfs/dbraw/zinc/93/75/91/474937591.db2.gz PPOAYVDTFUMRPO-NSHDSACASA-N -1 3 342.417 2.708 20 5 EFBDHM CN(C)CCN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)C1CCCCC1 ZINC000273538452 474952179 /nfs/dbraw/zinc/95/21/79/474952179.db2.gz SNODTNXLPXWLPL-UHFFFAOYSA-N -1 3 335.404 2.637 20 5 EFBDHM Cn1cc(-c2nc(C(=O)[N-]c3ccc([N+](=O)[O-])cc3F)cs2)cn1 ZINC000345189790 474975982 /nfs/dbraw/zinc/97/59/82/474975982.db2.gz SLIODSZJLLDNKT-UHFFFAOYSA-N -1 3 347.331 2.843 20 5 EFBDHM O=C(Nc1ccc(OC2CCCC2)nc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000339180883 475011453 /nfs/dbraw/zinc/01/14/53/475011453.db2.gz YDWUKAMYHRVQJQ-UHFFFAOYSA-N -1 3 344.327 2.664 20 5 EFBDHM CC(C)Oc1c(F)cc([N-]C(=O)c2n[nH]cc2[N+](=O)[O-])cc1F ZINC000345311308 475083307 /nfs/dbraw/zinc/08/33/07/475083307.db2.gz DMYZDZJNWRVQHU-UHFFFAOYSA-N -1 3 326.259 2.636 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCCSC2)cc1C ZINC000287403759 475132749 /nfs/dbraw/zinc/13/27/49/475132749.db2.gz KWZFGFNDHIOIEV-GFCCVEGCSA-N -1 3 344.458 2.633 20 5 EFBDHM Cc1cc2cc(C[N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])ccc2[nH]1 ZINC000352376217 475231716 /nfs/dbraw/zinc/23/17/16/475231716.db2.gz LUUKQXJDVHDSIF-UHFFFAOYSA-N -1 3 345.380 2.863 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000337737868 475284454 /nfs/dbraw/zinc/28/44/54/475284454.db2.gz JQXBDKRHKZEMQX-UHFFFAOYSA-N -1 3 342.323 2.660 20 5 EFBDHM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000354719049 475356981 /nfs/dbraw/zinc/35/69/81/475356981.db2.gz WUNZNXVDXISFOX-VIFPVBQESA-N -1 3 340.323 2.913 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000337946105 475450078 /nfs/dbraw/zinc/45/00/78/475450078.db2.gz XFERACHUGYRHBT-KGLIPLIRSA-N -1 3 332.381 2.738 20 5 EFBDHM COc1cc(OCC(=O)Nc2c(C)cccc2[O-])ccc1[N+](=O)[O-] ZINC000352683001 475525974 /nfs/dbraw/zinc/52/59/74/475525974.db2.gz JHOWAOJUPKSSTB-UHFFFAOYSA-N -1 3 332.312 2.635 20 5 EFBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1ocnc1C1CC1 ZINC000348267173 475545009 /nfs/dbraw/zinc/54/50/09/475545009.db2.gz MIJDTSMQAVRJLG-UHFFFAOYSA-N -1 3 339.311 2.525 20 5 EFBDHM COC(=O)c1c(F)cc([N-]C(=O)c2ccc([N+](=O)[O-])o2)cc1F ZINC000338108645 475595562 /nfs/dbraw/zinc/59/55/62/475595562.db2.gz XAKKGANYBDWNKO-UHFFFAOYSA-N -1 3 326.211 2.505 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H]1CCc2ccccc21 ZINC000348334643 475602644 /nfs/dbraw/zinc/60/26/44/475602644.db2.gz PDDPOLAPVWRVDW-AWEZNQCLSA-N -1 3 346.408 2.912 20 5 EFBDHM CCn1cc([C@H](C)[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000297308474 475701416 /nfs/dbraw/zinc/70/14/16/475701416.db2.gz YHVNQJPIKULMAT-JTQLQIEISA-N -1 3 338.314 2.780 20 5 EFBDHM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC000340051091 475718598 /nfs/dbraw/zinc/71/85/98/475718598.db2.gz HXZWXHBZBIWPDG-SECBINFHSA-N -1 3 341.776 2.683 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-][C@H](c2cccnc2)C2CC2)c([N+](=O)[O-])c1 ZINC000340092521 475753210 /nfs/dbraw/zinc/75/32/10/475753210.db2.gz YWETUJZXJQPMJG-INIZCTEOSA-N -1 3 347.396 2.728 20 5 EFBDHM CCc1cnccc1[C@@H](C)[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000358579378 475783334 /nfs/dbraw/zinc/78/33/34/475783334.db2.gz AIGRBIOQUMAIIS-GFCCVEGCSA-N -1 3 349.412 2.900 20 5 EFBDHM Cc1nc2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C)ccc2[nH]1 ZINC000340153491 475805595 /nfs/dbraw/zinc/80/55/95/475805595.db2.gz UDZHXEBMQHJMHD-UHFFFAOYSA-N -1 3 346.368 2.889 20 5 EFBDHM Cc1nc2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C)cc2[nH]1 ZINC000340153491 475805599 /nfs/dbraw/zinc/80/55/99/475805599.db2.gz UDZHXEBMQHJMHD-UHFFFAOYSA-N -1 3 346.368 2.889 20 5 EFBDHM Cc1nc2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2[nH]1 ZINC000340152996 475806218 /nfs/dbraw/zinc/80/62/18/475806218.db2.gz OJVGIIXNESNUII-UHFFFAOYSA-N -1 3 346.368 2.889 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCC2CCCC2)c(F)c1 ZINC000340177821 475827075 /nfs/dbraw/zinc/82/70/75/475827075.db2.gz IXKYKHGLWAYKJT-UHFFFAOYSA-N -1 3 330.381 2.983 20 5 EFBDHM COc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1OC(C)C ZINC000355352083 475856113 /nfs/dbraw/zinc/85/61/13/475856113.db2.gz VNHUMRDEGDLCAW-UHFFFAOYSA-N -1 3 347.327 2.744 20 5 EFBDHM CCc1oc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2OC)cc1C(=O)OC ZINC000338405354 475871605 /nfs/dbraw/zinc/87/16/05/475871605.db2.gz KURCMLVZROZUQW-UHFFFAOYSA-N -1 3 348.311 2.798 20 5 EFBDHM CC(C)CCO[C@H](C)C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000338430488 475898031 /nfs/dbraw/zinc/89/80/31/475898031.db2.gz WWFGAVBPBGXAMK-GFCCVEGCSA-N -1 3 346.387 2.797 20 5 EFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cncs1 ZINC000338433440 475899882 /nfs/dbraw/zinc/89/98/82/475899882.db2.gz XWIPMQMPDDLEAP-SSDOTTSWSA-N -1 3 347.805 2.744 20 5 EFBDHM Cc1ccc([O-])c(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000340329654 475950528 /nfs/dbraw/zinc/95/05/28/475950528.db2.gz PFDCMIHDKCIOEL-UHFFFAOYSA-N -1 3 330.296 2.632 20 5 EFBDHM Cc1ccc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1F ZINC000340380524 475996851 /nfs/dbraw/zinc/99/68/51/475996851.db2.gz OLMVGYGJACDZEP-UHFFFAOYSA-N -1 3 338.360 2.829 20 5 EFBDHM COC(=O)c1c(F)ccc([N-]C(=O)c2ccccc2[N+](=O)[O-])c1F ZINC000362266842 476125474 /nfs/dbraw/zinc/12/54/74/476125474.db2.gz PLQOVPDTZOHMNH-UHFFFAOYSA-N -1 3 336.250 2.912 20 5 EFBDHM O=C([O-])C1(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCOCC1 ZINC000340677814 476200126 /nfs/dbraw/zinc/20/01/26/476200126.db2.gz KPDZUPCCUFYPPB-UHFFFAOYSA-N -1 3 346.339 2.578 20 5 EFBDHM COc1ccc(-c2ccc(CNC3(C(=O)[O-])CC3)o2)c([N+](=O)[O-])c1 ZINC000340686431 476205931 /nfs/dbraw/zinc/20/59/31/476205931.db2.gz ZAOGPYVZRXUGSS-UHFFFAOYSA-N -1 3 332.312 2.570 20 5 EFBDHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000353710189 476207381 /nfs/dbraw/zinc/20/73/81/476207381.db2.gz IVKHSIWIQWVPOU-UHFFFAOYSA-N -1 3 334.357 2.681 20 5 EFBDHM Cc1ncc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)c(=O)[n-]1 ZINC000344320152 476248346 /nfs/dbraw/zinc/24/83/46/476248346.db2.gz CBNOTWLFMPUOTP-UHFFFAOYSA-N -1 3 340.339 2.949 20 5 EFBDHM COc1cc(-c2noc(COc3cccc([N+](=O)[O-])c3)n2)ccc1[O-] ZINC000350580115 476253272 /nfs/dbraw/zinc/25/32/72/476253272.db2.gz PFPFIDWDVVTSNP-UHFFFAOYSA-N -1 3 343.295 2.938 20 5 EFBDHM CCc1cc(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)ccc1[O-] ZINC000362589318 476319377 /nfs/dbraw/zinc/31/93/77/476319377.db2.gz NGLGULGGABEKKT-UHFFFAOYSA-N -1 3 330.340 2.801 20 5 EFBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)[C@H]1Cc2ccccc21 ZINC000354025104 476374498 /nfs/dbraw/zinc/37/44/98/476374498.db2.gz YXNBXPYDYMUSHF-HNNXBMFYSA-N -1 3 334.335 2.685 20 5 EFBDHM CC(C)CN1CCCC[C@H]1CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000354199672 476495969 /nfs/dbraw/zinc/49/59/69/476495969.db2.gz GVTDKOJPIAAKKC-ZDUSSCGKSA-N -1 3 335.404 2.541 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCC(F)(F)C2)c1C ZINC000429909631 476713793 /nfs/dbraw/zinc/71/37/93/476713793.db2.gz KQMLSMZBSXGUBN-NSHDSACASA-N -1 3 348.371 2.925 20 5 EFBDHM Cc1nc([N+](=O)[O-])c(-c2noc(-c3ccc(C)c(C)c3[O-])n2)n1C ZINC000445603457 476753785 /nfs/dbraw/zinc/75/37/85/476753785.db2.gz DKJLTTGNROBESD-UHFFFAOYSA-N -1 3 329.316 2.676 20 5 EFBDHM COc1c(C(=O)N2CCCc3cccc([O-])c32)cccc1[N+](=O)[O-] ZINC000392526370 476826281 /nfs/dbraw/zinc/82/62/81/476826281.db2.gz YDLQXKLVTYNLFX-UHFFFAOYSA-N -1 3 328.324 2.902 20 5 EFBDHM CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000447055029 476944549 /nfs/dbraw/zinc/94/45/49/476944549.db2.gz DCOHKFKERJQMNR-UHFFFAOYSA-N -1 3 332.360 2.593 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)F)cc1 ZINC000431627400 477064822 /nfs/dbraw/zinc/06/48/22/477064822.db2.gz GBXMKLNGHKCWMA-ZDUSSCGKSA-N -1 3 342.323 2.880 20 5 EFBDHM CC1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000416418810 477167892 /nfs/dbraw/zinc/16/78/92/477167892.db2.gz QHMVXBKDYGRFAB-UHFFFAOYSA-N -1 3 338.307 2.692 20 5 EFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H](C)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000416509843 477194960 /nfs/dbraw/zinc/19/49/60/477194960.db2.gz VZSLKJMFKHNACE-VIFPVBQESA-N -1 3 348.396 2.846 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]3C[C@@H]32)c(Cl)c1 ZINC000416561791 477217480 /nfs/dbraw/zinc/21/74/80/477217480.db2.gz UUWOQRPEJAARMR-UBHAPETDSA-N -1 3 330.793 2.715 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H](C)CC(F)(F)F ZINC000416605164 477236734 /nfs/dbraw/zinc/23/67/34/477236734.db2.gz MALMUNWMLABGOZ-MRVPVSSYSA-N -1 3 340.323 2.770 20 5 EFBDHM O=C([N-]c1cc(F)cc([N+](=O)[O-])c1)c1n[nH]nc1-c1ccccc1 ZINC000435911366 477392462 /nfs/dbraw/zinc/39/24/62/477392462.db2.gz LLFXRROPCTYTHY-UHFFFAOYSA-N -1 3 327.275 2.771 20 5 EFBDHM COc1cc(CNc2cnc3onc(C)c3c2)c([N+](=O)[O-])cc1[O-] ZINC000436024392 477408902 /nfs/dbraw/zinc/40/89/02/477408902.db2.gz SGLVLKQGJFOZOW-UHFFFAOYSA-N -1 3 330.300 2.766 20 5 EFBDHM CC(=O)c1ccc(OCc2cc(=O)[n-]c(C3CC3)n2)c([N+](=O)[O-])c1 ZINC000412999731 477469297 /nfs/dbraw/zinc/46/92/97/477469297.db2.gz LUZJXZPVLOKXKL-UHFFFAOYSA-N -1 3 329.312 2.749 20 5 EFBDHM CC[C@H](C)N[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccco1 ZINC000436716628 477569003 /nfs/dbraw/zinc/56/90/03/477569003.db2.gz UKBVSZOTLRUFQY-FZMZJTMJSA-N -1 3 347.371 2.753 20 5 EFBDHM CCN(CCN1CCCCCC1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436794535 477591498 /nfs/dbraw/zinc/59/14/98/477591498.db2.gz BNLBBHCEVDSHBN-UHFFFAOYSA-N -1 3 335.404 2.639 20 5 EFBDHM COC(=O)c1cccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])c1[O-] ZINC000436801179 477594334 /nfs/dbraw/zinc/59/43/34/477594334.db2.gz QILMARVKMYQOMU-UHFFFAOYSA-N -1 3 330.296 2.648 20 5 EFBDHM COc1cccc2c1nc(-c1cc(OC)c([O-])cc1[N+](=O)[O-])n2C ZINC000436855756 477614823 /nfs/dbraw/zinc/61/48/23/477614823.db2.gz QWDRBHMCAXXNKN-UHFFFAOYSA-N -1 3 329.312 2.871 20 5 EFBDHM C[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436887483 477625661 /nfs/dbraw/zinc/62/56/61/477625661.db2.gz KKQFPSCUWSXBPM-CYBMUJFWSA-N -1 3 343.383 2.551 20 5 EFBDHM C[C@H]1CCCN(C(C)(C)CNC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000436913169 477633116 /nfs/dbraw/zinc/63/31/16/477633116.db2.gz ZTTHPWXAHYRQIV-LBPRGKRZSA-N -1 3 335.404 2.541 20 5 EFBDHM Cc1ccc(CNC[C@H](Oc2ccc(F)cc2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000426630218 477729900 /nfs/dbraw/zinc/72/99/00/477729900.db2.gz TWQMIVWXNXHWNW-INIZCTEOSA-N -1 3 348.330 2.664 20 5 EFBDHM CC[C@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000420711387 477768390 /nfs/dbraw/zinc/76/83/90/477768390.db2.gz YAKZEOIUUQHSOK-QMMMGPOBSA-N -1 3 340.323 2.938 20 5 EFBDHM C[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000461823739 477885114 /nfs/dbraw/zinc/88/51/14/477885114.db2.gz XUWCXTCZSOXHAP-UWVGGRQHSA-N -1 3 332.809 2.963 20 5 EFBDHM C[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000461823738 477885496 /nfs/dbraw/zinc/88/54/96/477885496.db2.gz XUWCXTCZSOXHAP-NXEZZACHSA-N -1 3 332.809 2.963 20 5 EFBDHM C=Cc1ccc(CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000462121791 477896210 /nfs/dbraw/zinc/89/62/10/477896210.db2.gz ZPNYSGNPLJUKQJ-UHFFFAOYSA-N -1 3 332.381 2.759 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-][C@@H](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000462311374 477899252 /nfs/dbraw/zinc/89/92/52/477899252.db2.gz QTMNCXMMHGKNNW-NSHDSACASA-N -1 3 342.417 2.851 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)c2cncs2)cc1C ZINC000439212268 477943858 /nfs/dbraw/zinc/94/38/58/477943858.db2.gz SKPZBJDHJPHXDQ-JTQLQIEISA-N -1 3 341.414 2.708 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]Cc2noc3ccccc32)c([N+](=O)[O-])c1 ZINC000439206661 477944328 /nfs/dbraw/zinc/94/43/28/477944328.db2.gz REBGDKIDACTAGR-UHFFFAOYSA-N -1 3 347.352 2.523 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1CCCC1(F)F ZINC000451823827 478216409 /nfs/dbraw/zinc/21/64/09/478216409.db2.gz OAAOPGNOPXCLEU-SNVBAGLBSA-N -1 3 334.344 2.617 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2CC(F)(F)C2)c(Cl)c1 ZINC000490021102 478302085 /nfs/dbraw/zinc/30/20/85/478302085.db2.gz UHRLOTBTYUWAIZ-UHFFFAOYSA-N -1 3 340.735 2.572 20 5 EFBDHM O=C([O-])[C@@H]1c2ccccc2CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000520594797 478328865 /nfs/dbraw/zinc/32/88/65/478328865.db2.gz SBDGGLGNTKJXFO-KRWDZBQOSA-N -1 3 342.351 2.658 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)Cc2ccccn2)c1C ZINC000594479918 478404965 /nfs/dbraw/zinc/40/49/65/478404965.db2.gz IZTTYEWQBXRHIO-GFCCVEGCSA-N -1 3 349.412 2.516 20 5 EFBDHM COc1cc(Cc2nc3ccc([O-])cc3c(=O)[nH]2)ccc1[N+](=O)[O-] ZINC000539805390 478438913 /nfs/dbraw/zinc/43/89/13/478438913.db2.gz QKJOCZIXNZIJMY-UHFFFAOYSA-N -1 3 327.296 2.549 20 5 EFBDHM COC(=O)c1ccsc1[N-]C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000597667865 478456021 /nfs/dbraw/zinc/45/60/21/478456021.db2.gz UAJCWMDBCDYOJC-UHFFFAOYSA-N -1 3 338.345 2.542 20 5 EFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H](C)CCC(C)C)cc1[N+](=O)[O-] ZINC000491197683 478467942 /nfs/dbraw/zinc/46/79/42/478467942.db2.gz FNPYCGPQIRQARW-JTQLQIEISA-N -1 3 348.396 2.846 20 5 EFBDHM CCN=c1[n-]c(C(=O)Nc2cc([N+](=O)[O-])ccc2NC(C)C)cs1 ZINC000597728331 478482916 /nfs/dbraw/zinc/48/29/16/478482916.db2.gz VCZPUKBCMCOYCM-UHFFFAOYSA-N -1 3 349.416 2.978 20 5 EFBDHM CC[C@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594750929 478530716 /nfs/dbraw/zinc/53/07/16/478530716.db2.gz QSZHMTVKAIOOQZ-QWRGUYRKSA-N -1 3 337.401 2.856 20 5 EFBDHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000597842966 478535564 /nfs/dbraw/zinc/53/55/64/478535564.db2.gz SEIXNJHXKLIUOB-CYBMUJFWSA-N -1 3 344.371 2.769 20 5 EFBDHM COc1cc(CNC[C@H](O)[C@H](C)c2ccccc2)c([N+](=O)[O-])cc1[O-] ZINC000595001441 478623540 /nfs/dbraw/zinc/62/35/40/478623540.db2.gz UNXAPDLKLNTVCJ-PXAZEXFGSA-N -1 3 346.383 2.563 20 5 EFBDHM O=C([O-])C[C@@H]1CCCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000564094681 478693830 /nfs/dbraw/zinc/69/38/30/478693830.db2.gz UOEURQLKMXIUSZ-AWEZNQCLSA-N -1 3 331.328 2.689 20 5 EFBDHM Cc1ccnc([N-]c2cnn(CC(=O)OC(C)(C)C)c2)c1[N+](=O)[O-] ZINC000591956779 478724052 /nfs/dbraw/zinc/72/40/52/478724052.db2.gz TYOSMTSGKLSAQU-UHFFFAOYSA-N -1 3 333.348 2.580 20 5 EFBDHM CN(C)[C@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])c1cccs1 ZINC000564336280 478728095 /nfs/dbraw/zinc/72/80/95/478728095.db2.gz WNRDKOHDWDTRLS-CQSZACIVSA-N -1 3 349.412 2.998 20 5 EFBDHM CCSC1(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CC1 ZINC000595349976 478742695 /nfs/dbraw/zinc/74/26/95/478742695.db2.gz CFDWYOMARQVHEB-UHFFFAOYSA-N -1 3 344.458 2.776 20 5 EFBDHM CC1(C)C[C@@]1(C)[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000595361493 478746564 /nfs/dbraw/zinc/74/65/64/478746564.db2.gz NHJWJCSWRHLTIV-OAHLLOKOSA-N -1 3 335.385 2.610 20 5 EFBDHM CC1(C)C[C@]1(C)[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000595361492 478746981 /nfs/dbraw/zinc/74/69/81/478746981.db2.gz NHJWJCSWRHLTIV-HNNXBMFYSA-N -1 3 335.385 2.610 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCc2ccco2)cc1C ZINC000595376025 478754464 /nfs/dbraw/zinc/75/44/64/478754464.db2.gz HPKKOHZYYPMMCE-UHFFFAOYSA-N -1 3 338.385 2.716 20 5 EFBDHM COC(C)(C)C[C@@H](C)[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000601356955 478800726 /nfs/dbraw/zinc/80/07/26/478800726.db2.gz JFGQDTHSIAZLGY-SNVBAGLBSA-N -1 3 348.396 2.524 20 5 EFBDHM O=C([O-])CCN(Cc1ccc([N+](=O)[O-])cc1Cl)C1CCOCC1 ZINC000592423102 478890961 /nfs/dbraw/zinc/89/09/61/478890961.db2.gz KYLMPKSKDMMTQH-UHFFFAOYSA-N -1 3 342.779 2.704 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]CCCc2ccccc2)c([N+](=O)[O-])c1 ZINC000507501693 478924915 /nfs/dbraw/zinc/92/49/15/478924915.db2.gz GFMQULLDLALMKO-UHFFFAOYSA-N -1 3 334.397 2.814 20 5 EFBDHM CCCCN1CCCC[C@@H]1CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000573375043 479051948 /nfs/dbraw/zinc/05/19/48/479051948.db2.gz KZMIFTWBFJUGTL-CYBMUJFWSA-N -1 3 336.392 2.755 20 5 EFBDHM O=c1[n-]ccc(Nc2cccc(OC[C@@H]3CCCO3)c2)c1[N+](=O)[O-] ZINC000596072483 479122235 /nfs/dbraw/zinc/12/22/35/479122235.db2.gz CEWIGMBVXLBFGX-ZDUSSCGKSA-N -1 3 331.328 2.997 20 5 EFBDHM O=C([O-])[C@H](CNCc1cc([N+](=O)[O-])ccc1OC(F)F)CC1CC1 ZINC000593010700 479122485 /nfs/dbraw/zinc/12/24/85/479122485.db2.gz LDIGFFJYNZGCKW-NSHDSACASA-N -1 3 344.314 2.787 20 5 EFBDHM O=c1[n-]ccc(N2CCC(COc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000596086033 479129511 /nfs/dbraw/zinc/12/95/11/479129511.db2.gz SSGQXFUINJVIGY-UHFFFAOYSA-N -1 3 329.356 2.991 20 5 EFBDHM CCn1c(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])nc2ccccc21 ZINC000596099944 479138113 /nfs/dbraw/zinc/13/81/13/479138113.db2.gz XQZBKMXWTKTJPU-UHFFFAOYSA-N -1 3 327.344 2.720 20 5 EFBDHM CCOc1c(OC)cc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1OC ZINC000596102906 479139339 /nfs/dbraw/zinc/13/93/39/479139339.db2.gz SOANQIUZEJJZGX-UHFFFAOYSA-N -1 3 349.343 2.723 20 5 EFBDHM C[C@H](c1cccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])c1)N1CCOCC1 ZINC000596113145 479146597 /nfs/dbraw/zinc/14/65/97/479146597.db2.gz NXYXPDLTEJGCKJ-GFCCVEGCSA-N -1 3 344.371 2.832 20 5 EFBDHM COc1ccc(C[C@H](C)Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc1OC ZINC000596124528 479151636 /nfs/dbraw/zinc/15/16/36/479151636.db2.gz XQJYBNTYCRAAHE-JTQLQIEISA-N -1 3 333.344 2.756 20 5 EFBDHM CC(=O)N(Cc1ccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc1)C1CC1 ZINC000596129726 479155586 /nfs/dbraw/zinc/15/55/86/479155586.db2.gz KEIZPRWLEMYJJY-UHFFFAOYSA-N -1 3 342.355 2.950 20 5 EFBDHM O=c1[n-]ccc(N2CC(OCCCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596149959 479165540 /nfs/dbraw/zinc/16/55/40/479165540.db2.gz SDLMAJRXYJRBEZ-UHFFFAOYSA-N -1 3 329.356 2.533 20 5 EFBDHM O=C([O-])[C@H](c1cccnc1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000584541696 479173007 /nfs/dbraw/zinc/17/30/07/479173007.db2.gz VLQNXQCTIZIKKX-RDJZCZTQSA-N -1 3 341.367 2.995 20 5 EFBDHM COc1ccccc1O[C@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596230249 479213557 /nfs/dbraw/zinc/21/35/57/479213557.db2.gz UWBQWTDALRZNIA-LBPRGKRZSA-N -1 3 345.355 2.752 20 5 EFBDHM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])C(C[C@@H]1CCCO1)C(F)(F)F ZINC000593553783 479386677 /nfs/dbraw/zinc/38/66/77/479386677.db2.gz PMLKZZYYAJKUDS-UWVGGRQHSA-N -1 3 348.277 2.987 20 5 EFBDHM CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000603631492 479415081 /nfs/dbraw/zinc/41/50/81/479415081.db2.gz HELPLEOMXOVKEE-AAEUAGOBSA-N -1 3 342.417 2.851 20 5 EFBDHM O=C(Nc1ccccc1[O-])C1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000603844276 479435840 /nfs/dbraw/zinc/43/58/40/479435840.db2.gz JDRCVVVHANSRKO-UHFFFAOYSA-N -1 3 342.355 2.551 20 5 EFBDHM COCC[C@H]1CCCCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000593741911 479441888 /nfs/dbraw/zinc/44/18/88/479441888.db2.gz SRKGZFIMIKMCRK-CYBMUJFWSA-N -1 3 336.388 2.932 20 5 EFBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[C@@H]2[C@H]2CCCOC2)c1 ZINC000593742417 479443046 /nfs/dbraw/zinc/44/30/46/479443046.db2.gz LOPAJGDTFJSCFF-DZGCQCFKSA-N -1 3 334.372 2.684 20 5 EFBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[C@@H]2[C@@H]2CCCOC2)c1 ZINC000593742419 479443439 /nfs/dbraw/zinc/44/34/39/479443439.db2.gz LOPAJGDTFJSCFF-UKRRQHHQSA-N -1 3 334.372 2.684 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC2CCCCC2)c(F)c1 ZINC000603957704 479457688 /nfs/dbraw/zinc/45/76/88/479457688.db2.gz FFWRFQUKDQDQJC-UHFFFAOYSA-N -1 3 330.381 2.983 20 5 EFBDHM COc1ccccc1-c1cc(=NC(=O)c2csc([N+](=O)[O-])c2)[nH][n-]1 ZINC000604498882 479528531 /nfs/dbraw/zinc/52/85/31/479528531.db2.gz RWJMDDBOSJOWPD-UHFFFAOYSA-N -1 3 344.352 2.729 20 5 EFBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1c[nH]c2cccnc12 ZINC000619248768 479730197 /nfs/dbraw/zinc/73/01/97/479730197.db2.gz NJFRFBPHRFYJMT-UHFFFAOYSA-N -1 3 348.322 2.535 20 5 EFBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1cnc2ccc[nH]c1-2 ZINC000619248768 479730203 /nfs/dbraw/zinc/73/02/03/479730203.db2.gz NJFRFBPHRFYJMT-UHFFFAOYSA-N -1 3 348.322 2.535 20 5 EFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000619472970 479804000 /nfs/dbraw/zinc/80/40/00/479804000.db2.gz SMZJFBIGPRNNLG-IJLUTSLNSA-N -1 3 342.417 2.706 20 5 EFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000619472972 479804573 /nfs/dbraw/zinc/80/45/73/479804573.db2.gz SMZJFBIGPRNNLG-SDDRHHMPSA-N -1 3 342.417 2.706 20 5 EFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(C(C)C)C(C)C ZINC000619491890 479810824 /nfs/dbraw/zinc/81/08/24/479810824.db2.gz AUSSGMITSNAIPF-UHFFFAOYSA-N -1 3 330.406 2.562 20 5 EFBDHM C[C@@]1(c2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000610265619 480266409 /nfs/dbraw/zinc/26/64/09/480266409.db2.gz WWIIAAJTVCRSNW-HOTGVXAUSA-N -1 3 332.381 2.603 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1C[C@]1(C)c1ccccc1 ZINC000610265530 480266435 /nfs/dbraw/zinc/26/64/35/480266435.db2.gz RNJJCMXIOWEOPB-DOTOQJQBSA-N -1 3 346.408 2.912 20 5 EFBDHM CCS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000175703367 521724392 /nfs/dbraw/zinc/72/43/92/521724392.db2.gz WRNSEODROGTERK-DGCLKSJQSA-N -1 3 344.458 2.937 20 5 EFBDHM CCS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000176898177 521731345 /nfs/dbraw/zinc/73/13/45/521731345.db2.gz KOEUODUHTGZIJX-NEPJUHHUSA-N -1 3 344.458 2.937 20 5 EFBDHM Cc1cnc(OCC(=O)[N-]c2cc(C(C)(C)C)no2)c([N+](=O)[O-])c1 ZINC000175135232 534598446 /nfs/dbraw/zinc/59/84/46/534598446.db2.gz AKJLVTDBPDBPOI-UHFFFAOYSA-N -1 3 334.332 2.601 20 5 EFBDHM CCc1nc2cc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)ccc2o1 ZINC000186975251 522495672 /nfs/dbraw/zinc/49/56/72/522495672.db2.gz RUXMEAQFUNHWRM-UHFFFAOYSA-N -1 3 328.284 2.651 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCCOC1CCCC1 ZINC000057925600 524908784 /nfs/dbraw/zinc/90/87/84/524908784.db2.gz AKRHYVYVELXIJJ-UHFFFAOYSA-N -1 3 342.417 2.531 20 5 EFBDHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccccc2[N+](=O)[O-])cc1F ZINC000178125770 524926829 /nfs/dbraw/zinc/92/68/29/524926829.db2.gz BLINTOIHESCYRZ-UHFFFAOYSA-N -1 3 342.323 2.660 20 5 EFBDHM Cc1cc(N2CCCC2)ccc1NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000011574342 525062009 /nfs/dbraw/zinc/06/20/09/525062009.db2.gz DDXHROBSWXWMIO-UHFFFAOYSA-N -1 3 342.355 2.856 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000067144192 526074104 /nfs/dbraw/zinc/07/41/04/526074104.db2.gz UECJZLZBLIBZEN-UHFFFAOYSA-N -1 3 349.368 2.527 20 5 EFBDHM O=C(Nc1ccc(-n2cccn2)cc1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000032240645 527149468 /nfs/dbraw/zinc/14/94/68/527149468.db2.gz NABPCFRTSYTVDJ-UHFFFAOYSA-N -1 3 348.322 2.909 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CC=CCC2)c(Cl)c1 ZINC000069042670 527375475 /nfs/dbraw/zinc/37/54/75/527375475.db2.gz SRNDYKZUZSCHCJ-JTQLQIEISA-N -1 3 330.793 2.883 20 5 EFBDHM O=C([N-]c1n[nH]c(Cc2cccc(F)c2)n1)c1csc([N+](=O)[O-])c1 ZINC000183272870 527496758 /nfs/dbraw/zinc/49/67/58/527496758.db2.gz NAYBCIDIRNHIIY-UHFFFAOYSA-N -1 3 347.331 2.757 20 5 EFBDHM CCS[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000175280119 529214853 /nfs/dbraw/zinc/21/48/53/529214853.db2.gz QDZZDWBDOOZUGM-CMPLNLGQSA-N -1 3 330.431 2.547 20 5 EFBDHM CCS[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000175280155 529218017 /nfs/dbraw/zinc/21/80/17/529218017.db2.gz QDZZDWBDOOZUGM-ZYHUDNBSSA-N -1 3 330.431 2.547 20 5 EFBDHM COc1cc(CNCCCC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1[O-] ZINC000344729132 536795893 /nfs/dbraw/zinc/79/58/93/536795893.db2.gz MRBHISUMNVGUJE-UHFFFAOYSA-N -1 3 340.376 2.521 20 5 EFBDHM COc1ccc(-c2ccc(CN(C)CCC(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000414688250 536896339 /nfs/dbraw/zinc/89/63/39/536896339.db2.gz YBCRENVTQBGVNP-UHFFFAOYSA-N -1 3 334.328 2.770 20 5 EFBDHM CCOc1cc(COC(=O)c2ccc([O-])cc2O)ccc1[N+](=O)[O-] ZINC000755510595 575594098 /nfs/dbraw/zinc/59/40/98/575594098.db2.gz MDXVEHFYACZMDG-UHFFFAOYSA-N -1 3 333.296 2.762 20 5 EFBDHM Cc1cc([O-])ccc1C(=O)O[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000758518673 575871401 /nfs/dbraw/zinc/87/14/01/575871401.db2.gz WAXRKDZVBYNRKR-NSHDSACASA-N -1 3 344.323 2.793 20 5 EFBDHM Cc1cc([O-])ccc1C(=O)OCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000758532580 575871818 /nfs/dbraw/zinc/87/18/18/575871818.db2.gz UWTZEDXAXZGGFE-UHFFFAOYSA-N -1 3 344.323 2.713 20 5 EFBDHM Cc1nc2cc([N-]S(=O)(=O)Cc3ccccc3[N+](=O)[O-])ccc2[nH]1 ZINC000759495159 575893239 /nfs/dbraw/zinc/89/32/39/575893239.db2.gz ASIHOMRPNCVXDN-UHFFFAOYSA-N -1 3 346.368 2.721 20 5 EFBDHM COC(=O)c1cccc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c1[O-] ZINC000759706372 575923262 /nfs/dbraw/zinc/92/32/62/575923262.db2.gz DUAIEPCPMVKGLD-YFHOEESVSA-N -1 3 342.307 2.739 20 5 EFBDHM COC(=O)c1cccc(NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])c1[O-] ZINC000759706166 575923337 /nfs/dbraw/zinc/92/33/37/575923337.db2.gz BSSHLUQXORQDRJ-UHFFFAOYSA-N -1 3 348.286 2.787 20 5 EFBDHM COC(=O)c1cnc([N-]C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])s1 ZINC000760319902 576004862 /nfs/dbraw/zinc/00/48/62/576004862.db2.gz JCAZJWZHCRIFDM-UHFFFAOYSA-N -1 3 339.304 2.538 20 5 EFBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]C2(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000760636450 576056349 /nfs/dbraw/zinc/05/63/49/576056349.db2.gz WRWKGHNDJOAODL-UHFFFAOYSA-N -1 3 330.793 2.778 20 5 EFBDHM COc1cc(CSCc2nc(C)cc(=O)[n-]2)c([N+](=O)[O-])cc1F ZINC000766080982 577104971 /nfs/dbraw/zinc/10/49/71/577104971.db2.gz PVSYSFJYJZWAMW-UHFFFAOYSA-N -1 3 339.348 2.980 20 5 EFBDHM COc1cc(COC(=O)c2ccc([O-])cc2O)c([N+](=O)[O-])cc1F ZINC000766169722 577116092 /nfs/dbraw/zinc/11/60/92/577116092.db2.gz QWQIIBNLNSYIRK-UHFFFAOYSA-N -1 3 337.259 2.511 20 5 EFBDHM O=Cc1n[n-]c2cc(C(=O)OCCc3ccc([N+](=O)[O-])cc3)ccc12 ZINC000766172081 577116379 /nfs/dbraw/zinc/11/63/79/577116379.db2.gz AUFPBDYJSSCJRV-UHFFFAOYSA-N -1 3 339.307 2.683 20 5 EFBDHM O=Cc1[n-]nc2cc(C(=O)OCCc3ccc([N+](=O)[O-])cc3)ccc12 ZINC000766172081 577116381 /nfs/dbraw/zinc/11/63/81/577116381.db2.gz AUFPBDYJSSCJRV-UHFFFAOYSA-N -1 3 339.307 2.683 20 5 EFBDHM O=Cc1n[n-]c2cc(C(=O)OCc3ccccc3[N+](=O)[O-])ccc12 ZINC000766187629 577118904 /nfs/dbraw/zinc/11/89/04/577118904.db2.gz IDCWKYYJXHCMEP-UHFFFAOYSA-N -1 3 325.280 2.641 20 5 EFBDHM O=Cc1[n-]nc2cc(C(=O)OCc3ccccc3[N+](=O)[O-])ccc12 ZINC000766187629 577118905 /nfs/dbraw/zinc/11/89/05/577118905.db2.gz IDCWKYYJXHCMEP-UHFFFAOYSA-N -1 3 325.280 2.641 20 5 EFBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCc3ccc(F)cc32)cs1 ZINC000768836923 577307681 /nfs/dbraw/zinc/30/76/81/577307681.db2.gz LTZRZKAIPMSDKY-GFCCVEGCSA-N -1 3 342.373 2.761 20 5 EFBDHM C[C@]1(c2ccccc2)C[C@H]1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768840742 577308077 /nfs/dbraw/zinc/30/80/77/577308077.db2.gz CGAGQJBTWJMXBK-TZMCWYRMSA-N -1 3 338.410 2.665 20 5 EFBDHM CCC(CC)(C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)SC ZINC000768843016 577308603 /nfs/dbraw/zinc/30/86/03/577308603.db2.gz DMNIRLCTOCJBKW-UHFFFAOYSA-N -1 3 338.476 2.856 20 5 EFBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C2CCC(F)(F)CC2)cs1 ZINC000768869684 577312086 /nfs/dbraw/zinc/31/20/86/577312086.db2.gz WHSXAKUFVZONIR-UHFFFAOYSA-N -1 3 326.346 2.513 20 5 EFBDHM CC(C)(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)CCO1 ZINC000768882502 577313824 /nfs/dbraw/zinc/31/38/24/577313824.db2.gz OLWJBOPBCPIEBN-KOLCDFICSA-N -1 3 348.446 2.528 20 5 EFBDHM COc1cccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1F ZINC000769888470 577391624 /nfs/dbraw/zinc/39/16/24/577391624.db2.gz BBGVYBGGZFZEPC-UHFFFAOYSA-N -1 3 340.332 2.852 20 5 EFBDHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)OCc1cc(=O)c([O-])co1 ZINC000769889835 577391629 /nfs/dbraw/zinc/39/16/29/577391629.db2.gz SUUXOUHSLGILGL-UHFFFAOYSA-N -1 3 333.296 2.536 20 5 EFBDHM Cn1cnc([N+](=O)[O-])c1-c1noc(-c2cc(Cl)c(Cl)[n-]2)n1 ZINC000771388593 581206674 /nfs/dbraw/zinc/20/66/74/581206674.db2.gz DOZZKNZDSZURHZ-UHFFFAOYSA-N -1 3 329.103 2.680 20 5 EFBDHM O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1c([O-])cccc1F ZINC000772590352 581344133 /nfs/dbraw/zinc/34/41/33/581344133.db2.gz CZFGPPRNJXIDNR-UHFFFAOYSA-N -1 3 349.270 2.663 20 5 EFBDHM CC(C)C[C@H]1OCCC[C@@H]1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000774894325 581503416 /nfs/dbraw/zinc/50/34/16/581503416.db2.gz LFNILAGYQTVORH-NWDGAFQWSA-N -1 3 348.446 2.528 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H]1C[C@H]1Cc1ccccc1 ZINC000823629882 599034886 /nfs/dbraw/zinc/03/48/86/599034886.db2.gz KQILDSAZWWUOAN-HIFRSBDPSA-N -1 3 336.355 2.818 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H]1C[C@H]1Cc1ccccc1 ZINC000823629882 599034889 /nfs/dbraw/zinc/03/48/89/599034889.db2.gz KQILDSAZWWUOAN-HIFRSBDPSA-N -1 3 336.355 2.818 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@H]2C[C@H]2Cc2ccccc2)c(-c2nnn[n-]2)c1 ZINC000823639877 599035063 /nfs/dbraw/zinc/03/50/63/599035063.db2.gz KENZQZYZVASCNW-WBMJQRKESA-N -1 3 336.355 2.818 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@H]2C[C@H]2Cc2ccccc2)c(-c2nn[n-]n2)c1 ZINC000823639877 599035066 /nfs/dbraw/zinc/03/50/66/599035066.db2.gz KENZQZYZVASCNW-WBMJQRKESA-N -1 3 336.355 2.818 20 5 EFBDHM CCS[C@@H]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821446885 599097875 /nfs/dbraw/zinc/09/78/75/599097875.db2.gz FFOLCZJEGUWWRL-CMPLNLGQSA-N -1 3 348.432 2.885 20 5 EFBDHM CCS[C@@H]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821446885 599097878 /nfs/dbraw/zinc/09/78/78/599097878.db2.gz FFOLCZJEGUWWRL-CMPLNLGQSA-N -1 3 348.432 2.885 20 5 EFBDHM CCc1ccc(OC(=O)c2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000736691804 599157167 /nfs/dbraw/zinc/15/71/67/599157167.db2.gz RIXISGADKOXKCB-UHFFFAOYSA-N -1 3 339.311 2.557 20 5 EFBDHM CCc1ccc(OC(=O)c2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC000736691804 599157170 /nfs/dbraw/zinc/15/71/70/599157170.db2.gz RIXISGADKOXKCB-UHFFFAOYSA-N -1 3 339.311 2.557 20 5 EFBDHM CC(C)(C)[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000735597999 599170708 /nfs/dbraw/zinc/17/07/08/599170708.db2.gz WBLGJRGSJWZKIQ-NSHDSACASA-N -1 3 345.407 2.823 20 5 EFBDHM CC(C)(C)[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000735597999 599170710 /nfs/dbraw/zinc/17/07/10/599170710.db2.gz WBLGJRGSJWZKIQ-NSHDSACASA-N -1 3 345.407 2.823 20 5 EFBDHM CS[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000737180458 599233319 /nfs/dbraw/zinc/23/33/19/599233319.db2.gz QWRRRWPALXFEPV-KOLCDFICSA-N -1 3 334.405 2.861 20 5 EFBDHM CS[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000737180458 599233321 /nfs/dbraw/zinc/23/33/21/599233321.db2.gz QWRRRWPALXFEPV-KOLCDFICSA-N -1 3 334.405 2.861 20 5 EFBDHM C[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1Cl ZINC000820461561 599252594 /nfs/dbraw/zinc/25/25/94/599252594.db2.gz MIGWGXZQHFWQGL-MRVPVSSYSA-N -1 3 345.750 2.996 20 5 EFBDHM C[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccccc1Cl ZINC000820461561 599252597 /nfs/dbraw/zinc/25/25/97/599252597.db2.gz MIGWGXZQHFWQGL-MRVPVSSYSA-N -1 3 345.750 2.996 20 5 EFBDHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCc1ccccc1[N+](=O)[O-] ZINC000737222147 599283528 /nfs/dbraw/zinc/28/35/28/599283528.db2.gz SYZHUIWXRPLRQE-UHFFFAOYSA-N -1 3 325.328 2.971 20 5 EFBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1cccc(O)c1 ZINC000736137222 598312383 /nfs/dbraw/zinc/31/23/83/598312383.db2.gz IWZANNUAVDXFJG-SECBINFHSA-N -1 3 326.316 2.654 20 5 EFBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1cccc(O)c1 ZINC000736137222 598312386 /nfs/dbraw/zinc/31/23/86/598312386.db2.gz IWZANNUAVDXFJG-SECBINFHSA-N -1 3 326.316 2.654 20 5 EFBDHM O=[N+]([O-])c1cnc(NC2CC(c3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000738368044 598613533 /nfs/dbraw/zinc/61/35/33/598613533.db2.gz CIOFQTRIVLZPAN-UHFFFAOYSA-N -1 3 337.343 2.528 20 5 EFBDHM O=[N+]([O-])c1cnc(NC2CC(c3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000738368044 598613535 /nfs/dbraw/zinc/61/35/35/598613535.db2.gz CIOFQTRIVLZPAN-UHFFFAOYSA-N -1 3 337.343 2.528 20 5 EFBDHM COc1ccc(-c2nnn[n-]2)cc1COc1cccc([N+](=O)[O-])c1C ZINC000821749819 607379300 /nfs/dbraw/zinc/37/93/00/607379300.db2.gz ZFGSWGJSFRJNCU-UHFFFAOYSA-N -1 3 341.327 2.671 20 5 EFBDHM COc1ccc(-c2nn[n-]n2)cc1COc1cccc([N+](=O)[O-])c1C ZINC000821749819 607379302 /nfs/dbraw/zinc/37/93/02/607379302.db2.gz ZFGSWGJSFRJNCU-UHFFFAOYSA-N -1 3 341.327 2.671 20 5 EFBDHM CC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccncc1 ZINC000820925098 599573969 /nfs/dbraw/zinc/57/39/69/599573969.db2.gz DEUNTLDOMALJOU-ZDUSSCGKSA-N -1 3 325.332 2.733 20 5 EFBDHM CC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccncc1 ZINC000820925098 599573970 /nfs/dbraw/zinc/57/39/70/599573970.db2.gz DEUNTLDOMALJOU-ZDUSSCGKSA-N -1 3 325.332 2.733 20 5 EFBDHM C[C@@H](CN(Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)C1CC1)C(=O)[O-] ZINC000736580539 600078023 /nfs/dbraw/zinc/07/80/23/600078023.db2.gz CYIZKTUQCSBWPP-LBPRGKRZSA-N -1 3 344.371 2.601 20 5 EFBDHM C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@](C)(C(=O)[O-])C1 ZINC000827966205 601919425 /nfs/dbraw/zinc/91/94/25/601919425.db2.gz NHTHUXGFJVFRDX-QFYYESIMSA-N -1 3 346.343 2.502 20 5 EFBDHM C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000827966208 601919764 /nfs/dbraw/zinc/91/97/64/601919764.db2.gz NHTHUXGFJVFRDX-QLJPJBMISA-N -1 3 346.343 2.502 20 5 EFBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000826250643 607648220 /nfs/dbraw/zinc/64/82/20/607648220.db2.gz KNOSYNJXLDKOGM-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000826250643 607648222 /nfs/dbraw/zinc/64/82/22/607648222.db2.gz KNOSYNJXLDKOGM-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM O=[N+]([O-])c1cccc(CNc2nc3ccccc3cc2-c2nnn[n-]2)c1 ZINC000823647162 606060802 /nfs/dbraw/zinc/06/08/02/606060802.db2.gz HGMCTLSAHRTUQC-UHFFFAOYSA-N -1 3 347.338 2.935 20 5 EFBDHM O=[N+]([O-])c1cccc(CNc2nc3ccccc3cc2-c2nn[n-]n2)c1 ZINC000823647162 606060808 /nfs/dbraw/zinc/06/08/08/606060808.db2.gz HGMCTLSAHRTUQC-UHFFFAOYSA-N -1 3 347.338 2.935 20 5 EFBDHM Cc1ccc(NCCOc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000822254219 606137409 /nfs/dbraw/zinc/13/74/09/606137409.db2.gz DSVKRDUEOZQINB-UHFFFAOYSA-N -1 3 340.343 2.574 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCc1cc(F)ccc1F ZINC000823629680 606142923 /nfs/dbraw/zinc/14/29/23/606142923.db2.gz DYVFPYQIDVETRK-UHFFFAOYSA-N -1 3 346.297 2.708 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCc1cc(F)ccc1F ZINC000823629680 606142925 /nfs/dbraw/zinc/14/29/25/606142925.db2.gz DYVFPYQIDVETRK-UHFFFAOYSA-N -1 3 346.297 2.708 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2noc(-c3cc(-c4nnn[n-]4)cs3)n2)cc1 ZINC000823635305 606471131 /nfs/dbraw/zinc/47/11/31/606471131.db2.gz VEHLUAFISUITLY-UHFFFAOYSA-N -1 3 341.312 2.553 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2noc(-c3cc(-c4nn[n-]n4)cs3)n2)cc1 ZINC000823635305 606471133 /nfs/dbraw/zinc/47/11/33/606471133.db2.gz VEHLUAFISUITLY-UHFFFAOYSA-N -1 3 341.312 2.553 20 5 EFBDHM COc1cc(-c2nnn[n-]2)ccc1Oc1cc(C)ccc1[N+](=O)[O-] ZINC000821702211 606721588 /nfs/dbraw/zinc/72/15/88/606721588.db2.gz LPTDHGNCFYPCEB-UHFFFAOYSA-N -1 3 327.300 2.884 20 5 EFBDHM COc1cc(-c2nn[n-]n2)ccc1Oc1cc(C)ccc1[N+](=O)[O-] ZINC000821702211 606721589 /nfs/dbraw/zinc/72/15/89/606721589.db2.gz LPTDHGNCFYPCEB-UHFFFAOYSA-N -1 3 327.300 2.884 20 5 EFBDHM COc1ccc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c(F)c1 ZINC000821821771 606946815 /nfs/dbraw/zinc/94/68/15/606946815.db2.gz VZTAWOHTBISHRK-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM COc1ccc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c(F)c1 ZINC000821821771 606946816 /nfs/dbraw/zinc/94/68/16/606946816.db2.gz VZTAWOHTBISHRK-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1[N+](=O)[O-] ZINC000823318337 607243346 /nfs/dbraw/zinc/24/33/46/607243346.db2.gz CLVIKAIKMHLOTM-UHFFFAOYSA-N -1 3 344.718 2.681 20 5 EFBDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1[N+](=O)[O-] ZINC000823318337 607243347 /nfs/dbraw/zinc/24/33/47/607243347.db2.gz CLVIKAIKMHLOTM-UHFFFAOYSA-N -1 3 344.718 2.681 20 5 EFBDHM CC(C)(CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CCCC1 ZINC000824163134 607808977 /nfs/dbraw/zinc/80/89/77/607808977.db2.gz ZBJPOQUXAUTHHN-UHFFFAOYSA-N -1 3 331.380 2.798 20 5 EFBDHM CC(C)(CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CCCC1 ZINC000824163134 607808978 /nfs/dbraw/zinc/80/89/78/607808978.db2.gz ZBJPOQUXAUTHHN-UHFFFAOYSA-N -1 3 331.380 2.798 20 5 EFBDHM Cc1ccc(OC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1[N+](=O)[O-] ZINC000826252726 607863493 /nfs/dbraw/zinc/86/34/93/607863493.db2.gz PKLJTALNZLCLMY-UHFFFAOYSA-N -1 3 339.311 2.611 20 5 EFBDHM Cc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1[N+](=O)[O-] ZINC000826252726 607863494 /nfs/dbraw/zinc/86/34/94/607863494.db2.gz PKLJTALNZLCLMY-UHFFFAOYSA-N -1 3 339.311 2.611 20 5 EFBDHM CC(C)(C)[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO1 ZINC000824080628 608149626 /nfs/dbraw/zinc/14/96/26/608149626.db2.gz YSEPJPQWKVGIAZ-RISCZKNCSA-N -1 3 346.391 2.781 20 5 EFBDHM CC(C)(C)[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCO1 ZINC000824080628 608149628 /nfs/dbraw/zinc/14/96/28/608149628.db2.gz YSEPJPQWKVGIAZ-RISCZKNCSA-N -1 3 346.391 2.781 20 5 EFBDHM CCOc1cc(NCc2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000825616018 608175843 /nfs/dbraw/zinc/17/58/43/608175843.db2.gz TWGKVTZUVAQJNQ-UHFFFAOYSA-N -1 3 340.343 2.786 20 5 EFBDHM CCOc1cc(NCc2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000825616018 608175845 /nfs/dbraw/zinc/17/58/45/608175845.db2.gz TWGKVTZUVAQJNQ-UHFFFAOYSA-N -1 3 340.343 2.786 20 5 EFBDHM CCC(=CC(=O)NC/C=C\CNc1cc[n-]c(=O)c1[N+](=O)[O-])CC ZINC001107120842 1253912921 /nfs/dbraw/zinc/91/29/21/1253912921.db2.gz HXWPXHBHORKQJJ-WAYWQWQTSA-N -1 3 334.376 2.526 20 5 EFBDHM CC1(CC(=O)NC/C=C\CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC1 ZINC001107148682 1255077164 /nfs/dbraw/zinc/07/71/64/1255077164.db2.gz OSZCLVSNDZXJPD-PLNGDYQASA-N -1 3 348.403 2.750 20 5 EFBDHM CC(C)(CC(=O)NC/C=C\CNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1 ZINC001107152697 1255095633 /nfs/dbraw/zinc/09/56/33/1255095633.db2.gz XHCDNDNMOWIDCA-ARJAWSKDSA-N -1 3 348.403 2.606 20 5 EFBDHM CCC(C)(CC)C(=O)NC/C=C\CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107211158 1255327518 /nfs/dbraw/zinc/32/75/18/1255327518.db2.gz SPWQTXXZFAGUOM-SREVYHEPSA-N -1 3 336.392 2.606 20 5 EFBDHM C[C@H]1CC[C@H](C(=O)NC/C=C\CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001107268271 1255485691 /nfs/dbraw/zinc/48/56/91/1255485691.db2.gz VEBOHFDAAWIYKW-PIGIGJECSA-N -1 3 348.403 2.606 20 5 EFBDHM CC(C)(C)CCC(=O)NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107290659 1255526057 /nfs/dbraw/zinc/52/60/57/1255526057.db2.gz SVNDFCBUINKMGW-SNAWJCMRSA-N -1 3 336.392 2.606 20 5 EFBDHM CCC(C)(C)CC(=O)NC/C=C\CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107361195 1255666634 /nfs/dbraw/zinc/66/66/34/1255666634.db2.gz CDDIMVIDKPGENC-WAYWQWQTSA-N -1 3 336.392 2.606 20 5 EFBDHM CCCC(C)(C)C(=O)NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107479149 1255946634 /nfs/dbraw/zinc/94/66/34/1255946634.db2.gz QVZJTKOWWJDSRS-AATRIKPKSA-N -1 3 336.392 2.606 20 5 EFBDHM O=C(NCCC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1)C1=CCCC1 ZINC001089922541 1258281181 /nfs/dbraw/zinc/28/11/81/1258281181.db2.gz ZMIJPQZPIIQDQS-UHFFFAOYSA-N -1 3 346.387 2.504 20 5 EFBDHM O=C([N-]c1nncn1Cc1ccccc1)c1cc(F)ccc1[N+](=O)[O-] ZINC000735460400 1267328828 /nfs/dbraw/zinc/32/88/28/1267328828.db2.gz KLTRZHQLRNPDDN-UHFFFAOYSA-N -1 3 341.302 2.626 20 5 EFBDHM CCC(=CC(=O)N(C)CCCNc1cc[n-]c(=O)c1[N+](=O)[O-])CC ZINC001109408792 1274252399 /nfs/dbraw/zinc/25/23/99/1274252399.db2.gz WHHUXGPOOKINGA-UHFFFAOYSA-N -1 3 336.392 2.702 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cc2occc2[n-]1 ZINC000786030526 1275280532 /nfs/dbraw/zinc/28/05/32/1275280532.db2.gz HCFCTNZMKJSQBP-UHFFFAOYSA-N -1 3 343.295 2.773 20 5 EFBDHM Cc1ccc(CC(=O)[N-]OCc2c(F)cc([N+](=O)[O-])cc2F)cc1 ZINC000820706559 1277285608 /nfs/dbraw/zinc/28/56/08/1277285608.db2.gz QABHCPICTRCMIO-UHFFFAOYSA-N -1 3 336.294 2.972 20 5 EFBDHM COc1cc(CNCc2cccc([N+](=O)[O-])c2C)c([N+](=O)[O-])cc1[O-] ZINC000790999916 1277900478 /nfs/dbraw/zinc/90/04/78/1277900478.db2.gz PJUQQWCFQBLNAQ-UHFFFAOYSA-N -1 3 347.327 2.815 20 5 EFBDHM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)[N-]c1nnc(-c2ccco2)s1 ZINC000791332350 1278039431 /nfs/dbraw/zinc/03/94/31/1278039431.db2.gz NSGYKMVLMJTGSB-UHFFFAOYSA-N -1 3 349.303 2.680 20 5 EFBDHM O=C(NC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCCC1)C1CCC1 ZINC001114132119 1279769218 /nfs/dbraw/zinc/76/92/18/1279769218.db2.gz VWHUVASEQHQABV-UHFFFAOYSA-N -1 3 348.403 2.727 20 5 EFBDHM CCC(C)(C)N1CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000846776875 1280481110 /nfs/dbraw/zinc/48/11/10/1280481110.db2.gz AIGCTMDQQMIBJW-UHFFFAOYSA-N -1 3 335.404 2.533 20 5 EFBDHM CCCC(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCCCC1 ZINC001093374958 1283823057 /nfs/dbraw/zinc/82/30/57/1283823057.db2.gz NJLXRTCGLGCIKW-UHFFFAOYSA-N -1 3 336.392 2.727 20 5 EFBDHM O=C(CC1CCCCCC1)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094164471 1284819408 /nfs/dbraw/zinc/81/94/08/1284819408.db2.gz VJQZJWHIJXXJPN-UHFFFAOYSA-N -1 3 336.392 2.584 20 5 EFBDHM O=C(CC1CCCCC1)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094297956 1284933626 /nfs/dbraw/zinc/93/36/26/1284933626.db2.gz OFRCNPOXFXLOMP-UHFFFAOYSA-N -1 3 336.392 2.584 20 5 EFBDHM Cc1cccc(C)c1C(=O)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094801903 1285548893 /nfs/dbraw/zinc/54/88/93/1285548893.db2.gz SWPUEVCZUHMGPE-UHFFFAOYSA-N -1 3 344.371 2.544 20 5 EFBDHM CC(C)(F)C(=O)NCCCCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094908922 1286126219 /nfs/dbraw/zinc/12/62/19/1286126219.db2.gz JTOQZGMGBDORQX-UHFFFAOYSA-N -1 3 342.371 2.532 20 5 EFBDHM O=c1[n-]cncc1-c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001212754691 1286772349 /nfs/dbraw/zinc/77/23/49/1286772349.db2.gz JPBQEWXWCTVOGT-UHFFFAOYSA-N -1 3 342.318 2.996 20 5 EFBDHM CCC1(C(=O)NCC2(Nc3cc[n-]c(=O)c3[N+](=O)[O-])CC2)CCCC1 ZINC001110218558 1288713334 /nfs/dbraw/zinc/71/33/34/1288713334.db2.gz POIPSFPHHJGAHL-UHFFFAOYSA-N -1 3 348.403 2.727 20 5 EFBDHM CC(=O)c1ccc(-c2noc(-c3cc([N+](=O)[O-])c[n-]c3=O)n2)cc1 ZINC001212935805 1290902657 /nfs/dbraw/zinc/90/26/57/1290902657.db2.gz NVJPHIMLWUCTMG-UHFFFAOYSA-N -1 3 326.268 2.615 20 5 EFBDHM CC(=O)c1ccc(-c2noc(-c3cc([N+](=O)[O-])c[n-]c3=O)n2)c(F)c1 ZINC001212937067 1290904521 /nfs/dbraw/zinc/90/45/21/1290904521.db2.gz LRELEVXCNKFCSK-UHFFFAOYSA-N -1 3 344.258 2.754 20 5 EFBDHM COc1ccc(C(=O)[O-])cc1CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000903609061 1312934694 /nfs/dbraw/zinc/93/46/94/1312934694.db2.gz SOYLLJUSIFJXMO-UHFFFAOYSA-N -1 3 344.367 2.976 20 5 EFBDHM O=[N+]([O-])C[C@@H](Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1)C1CC1 ZINC001233497110 1312942769 /nfs/dbraw/zinc/94/27/69/1312942769.db2.gz FGARDJFKFMFTRF-LLVKDONJSA-N -1 3 326.696 2.559 20 5 EFBDHM O=[N+]([O-])c1cc2[n-]c(OC3CCN(CCF)CC3)nc2cc1Cl ZINC001233500419 1312944120 /nfs/dbraw/zinc/94/41/20/1312944120.db2.gz RXJZUJZAQUIUKR-UHFFFAOYSA-N -1 3 342.758 2.937 20 5 EFBDHM O=[N+]([O-])c1cc2nc(OC3CCN(CCF)CC3)[n-]c2cc1Cl ZINC001233500419 1312944124 /nfs/dbraw/zinc/94/41/24/1312944124.db2.gz RXJZUJZAQUIUKR-UHFFFAOYSA-N -1 3 342.758 2.937 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]c2cccnc2Cl)cc1[N+](=O)[O-] ZINC000016129328 1312950162 /nfs/dbraw/zinc/95/01/62/1312950162.db2.gz MCICNDPMYKCBTB-UHFFFAOYSA-N -1 3 327.749 2.752 20 5 EFBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1cn(-c2ccccc2)nn1 ZINC000800149273 1293932842 /nfs/dbraw/zinc/93/28/42/1293932842.db2.gz QESCWAQXTIOHEW-UHFFFAOYSA-N -1 3 341.302 2.875 20 5 EFBDHM O=[N+]([O-])c1ccccc1N1CC[C@H](Oc2nc3c(cccc3[O-])[nH]2)C1 ZINC001234445687 1313130458 /nfs/dbraw/zinc/13/04/58/1313130458.db2.gz BGQXQFWBHUOHGQ-NSHDSACASA-N -1 3 340.339 2.834 20 5 EFBDHM Cc1ccc(-c2noc(-c3c[n-]c(=O)c([N+](=O)[O-])c3)n2)c(F)c1F ZINC001212844458 1295540846 /nfs/dbraw/zinc/54/08/46/1295540846.db2.gz VDEPULXWHUIBAC-UHFFFAOYSA-N -1 3 334.238 2.999 20 5 EFBDHM CCOC(=O)CCc1cncc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001199819518 1295741515 /nfs/dbraw/zinc/74/15/15/1295741515.db2.gz WDHSJPOYBCWVOO-UHFFFAOYSA-N -1 3 331.328 2.935 20 5 EFBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(OC3CCOCC3)nc2)c1 ZINC001199814121 1295764165 /nfs/dbraw/zinc/76/41/65/1295764165.db2.gz FUXXIFKPMQJLJO-UHFFFAOYSA-N -1 3 331.328 2.997 20 5 EFBDHM Nc1ccc(N(c2cc([O-])cc([N+](=O)[O-])c2)[C@H]2CC[C@H](O)CC2)nc1 ZINC001199828944 1295765472 /nfs/dbraw/zinc/76/54/72/1295765472.db2.gz ZYMIKONNURXDTC-NNUKFRKNSA-N -1 3 344.371 2.719 20 5 EFBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cnc(-n3nccn3)c(Cl)c2)c1 ZINC001199828457 1295789023 /nfs/dbraw/zinc/78/90/23/1295789023.db2.gz ITENQKIAVSRTIQ-UHFFFAOYSA-N -1 3 332.707 2.673 20 5 EFBDHM CCN1CC[C@H](Oc2cc([O-])cc3oc4ccc(O)cc4c(=O)c23)C1 ZINC001234743574 1313188094 /nfs/dbraw/zinc/18/80/94/1313188094.db2.gz DIGZNFFGYKUITP-ZDUSSCGKSA-N -1 3 341.363 2.830 20 5 EFBDHM COC(=O)c1nc2c(cccc2Nc2cc([O-])cc([N+](=O)[O-])c2)o1 ZINC001201231026 1296636740 /nfs/dbraw/zinc/63/67/40/1296636740.db2.gz BYDYQDUFUUMPPY-UHFFFAOYSA-N -1 3 329.268 2.972 20 5 EFBDHM CC1(C)c2ccc(Nc3cc([O-])cc([N+](=O)[O-])c3)cc2CNC1=O ZINC001201229437 1296637256 /nfs/dbraw/zinc/63/72/56/1296637256.db2.gz NMCGOFIWCCMXDU-UHFFFAOYSA-N -1 3 327.340 2.951 20 5 EFBDHM CS(=O)(=O)c1cc(F)c(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1F ZINC001201232020 1296639713 /nfs/dbraw/zinc/63/97/13/1296639713.db2.gz NTVLKLKCDWIVPH-UHFFFAOYSA-N -1 3 344.295 2.726 20 5 EFBDHM COC(=O)[C@@H]1Cc2cccc(Nc3cc([O-])cc([N+](=O)[O-])c3)c2C1 ZINC001201232474 1296640494 /nfs/dbraw/zinc/64/04/94/1296640494.db2.gz QABWVKFPOAEPTE-LLVKDONJSA-N -1 3 328.324 2.932 20 5 EFBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(S(=O)(=O)C3CC3)cc2)c1 ZINC001201233202 1296643003 /nfs/dbraw/zinc/64/30/03/1296643003.db2.gz YYWPJCAZCURXID-UHFFFAOYSA-N -1 3 334.353 2.980 20 5 EFBDHM COC(=O)c1cn(-c2cc([O-])cc([N+](=O)[O-])c2)c2ccc(N)cc12 ZINC001201225008 1296672538 /nfs/dbraw/zinc/67/25/38/1296672538.db2.gz YGCMVQGRYLULMG-UHFFFAOYSA-N -1 3 327.296 2.613 20 5 EFBDHM CC/C=C(/C)C(=O)NC1(C)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001110576913 1297277410 /nfs/dbraw/zinc/27/74/10/1297277410.db2.gz IMKOZBREFARZTN-XGICHPGQSA-N -1 3 348.403 2.527 20 5 EFBDHM O=C(CCC1CCCC1)N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001096983753 1313785262 /nfs/dbraw/zinc/78/52/62/1313785262.db2.gz HTPPXUQLIXQYJG-JOCQHMNTSA-N -1 3 348.403 2.725 20 5 EFBDHM CC(C)(C)CCC(=O)N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001097205839 1313907688 /nfs/dbraw/zinc/90/76/88/1313907688.db2.gz LSSCRRIPVWFGSW-PHIMTYICSA-N -1 3 336.392 2.581 20 5 EFBDHM CCC1(C(=O)N[C@H]2C[C@@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)CCCC1 ZINC001097209922 1313910073 /nfs/dbraw/zinc/91/00/73/1313910073.db2.gz VQXNSOSNNLPNMK-TXEJJXNPSA-N -1 3 348.403 2.725 20 5 EFBDHM CC[C@H](C)CO[N-]C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000794866676 1303395292 /nfs/dbraw/zinc/39/52/92/1303395292.db2.gz UHTUATUUQFGRDF-JTQLQIEISA-N -1 3 325.321 2.530 20 5 EFBDHM CC/C(C)=C\C(=O)NCCCN(c1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1 ZINC001096034965 1307429113 /nfs/dbraw/zinc/42/91/13/1307429113.db2.gz FGJZYDCEKBJLOO-QXMHVHEDSA-N -1 3 348.403 2.527 20 5 EFBDHM O=C(NC[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1[O-] ZINC001046702639 1309135396 /nfs/dbraw/zinc/13/53/96/1309135396.db2.gz HMPHTVCPVIHTCH-MQMHXKEQSA-N -1 3 341.367 2.921 20 5 EFBDHM C[C@H](NCc1c(Br)cccc1[N+](=O)[O-])[C@H](C)C(=O)[O-] ZINC000901447874 1310495770 /nfs/dbraw/zinc/49/57/70/1310495770.db2.gz ZQGHTNVMLQLJPH-YUMQZZPRSA-N -1 3 331.166 2.556 20 5 EFBDHM CCC(=CC(=O)NCCN(c1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1)CC ZINC001101332810 1311234264 /nfs/dbraw/zinc/23/42/64/1311234264.db2.gz UCJBJOLXCMCSAQ-UHFFFAOYSA-N -1 3 348.403 2.527 20 5 EFBDHM O=[N+]([O-])c1cc(NCc2ncccc2[O-])c2ncnc(Cl)c2c1 ZINC001158775989 1311385901 /nfs/dbraw/zinc/38/59/01/1311385901.db2.gz OSDKPUUHLVHYQG-UHFFFAOYSA-N -1 3 331.719 2.904 20 5 EFBDHM CC(C)C1(C(C)C)OC[C@@H](CCOc2nccc([O-])c2[N+](=O)[O-])O1 ZINC001225665367 1311561689 /nfs/dbraw/zinc/56/16/89/1311561689.db2.gz YCRWEVWYARLMKI-GFCCVEGCSA-N -1 3 340.376 2.888 20 5 EFBDHM Cc1cnc(=S)[n-]c1O[C@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC001225740005 1311570757 /nfs/dbraw/zinc/57/07/57/1311570757.db2.gz AAPAOSLGKGVZQJ-NSHDSACASA-N -1 3 332.385 2.640 20 5 EFBDHM Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1[n-]c(=S)ncc1C1CC1 ZINC001226118900 1311616039 /nfs/dbraw/zinc/61/60/39/1311616039.db2.gz KAJAYGFMGLWHLF-MRVPVSSYSA-N -1 3 335.389 2.523 20 5 EFBDHM Cc1cc(O[C@@H](C)c2cc3c(cc2[N+](=O)[O-])OCO3)[n-]c(=S)n1 ZINC001226798272 1311724820 /nfs/dbraw/zinc/72/48/20/1311724820.db2.gz HGYKSUYBCUZXLG-QMMMGPOBSA-N -1 3 335.341 2.851 20 5 EFBDHM Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1cc(=O)cc(C(F)(F)F)[n-]1 ZINC001227586090 1311825233 /nfs/dbraw/zinc/82/52/33/1311825233.db2.gz IBGNLMTXEZKLQC-ZETCQYMHSA-N -1 3 346.265 2.687 20 5 EFBDHM O=[N+]([O-])c1cnc(O[C@@H](c2cccnc2)C(F)(F)F)c2[n-]cnc21 ZINC001227689679 1311839689 /nfs/dbraw/zinc/83/96/89/1311839689.db2.gz BQCMEMQSEOVBKY-NSHDSACASA-N -1 3 339.233 2.944 20 5 EFBDHM CCOC(=O)[C@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)c1ccccc1 ZINC001227689748 1311839694 /nfs/dbraw/zinc/83/96/94/1311839694.db2.gz CURFDYMIAVNYJL-CQSZACIVSA-N -1 3 342.311 2.549 20 5 EFBDHM C[C@@H](COCc1ccccc1)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227691732 1311839717 /nfs/dbraw/zinc/83/97/17/1311839717.db2.gz PWYZEELCAQNWDB-NSHDSACASA-N -1 3 328.328 2.850 20 5 EFBDHM O=[N+]([O-])c1cnc(O[C@H](c2cccnc2)C(F)(F)F)c2[n-]cnc21 ZINC001227689678 1311840155 /nfs/dbraw/zinc/84/01/55/1311840155.db2.gz BQCMEMQSEOVBKY-LLVKDONJSA-N -1 3 339.233 2.944 20 5 EFBDHM O=[N+]([O-])c1cnc(OC[C@H]2CCc3ccccc3O2)c2[n-]cnc21 ZINC001227692772 1311840502 /nfs/dbraw/zinc/84/05/02/1311840502.db2.gz CODVTLIPOIOJJW-LLVKDONJSA-N -1 3 326.312 2.639 20 5 EFBDHM O=[N+]([O-])c1ccc2nc(OC[C@@H]3COc4ccccc4O3)[n-]c2c1 ZINC001227744198 1311848208 /nfs/dbraw/zinc/84/82/08/1311848208.db2.gz DWDAROWAMAFXQR-NSHDSACASA-N -1 3 327.296 2.690 20 5 EFBDHM O=[N+]([O-])c1ccc2[n-]c(OC[C@@H]3COc4ccccc4O3)nc2c1 ZINC001227744198 1311848212 /nfs/dbraw/zinc/84/82/12/1311848212.db2.gz DWDAROWAMAFXQR-NSHDSACASA-N -1 3 327.296 2.690 20 5 EFBDHM O=[N+]([O-])c1ccc2nc(OC[C@H]3CC[C@@]4(CCCCO4)O3)[n-]c2c1 ZINC001227746603 1311849483 /nfs/dbraw/zinc/84/94/83/1311849483.db2.gz UGEGTMFSWAVTGA-MLGOLLRUSA-N -1 3 333.344 2.926 20 5 EFBDHM O=[N+]([O-])c1ccc2[n-]c(OC[C@H]3CC[C@@]4(CCCCO4)O3)nc2c1 ZINC001227746603 1311849485 /nfs/dbraw/zinc/84/94/85/1311849485.db2.gz UGEGTMFSWAVTGA-MLGOLLRUSA-N -1 3 333.344 2.926 20 5 EFBDHM O=[N+]([O-])c1ccc2nc(OC[C@@H]3CC[C@@]4(CCCCO4)O3)[n-]c2c1 ZINC001227746597 1311849630 /nfs/dbraw/zinc/84/96/30/1311849630.db2.gz UGEGTMFSWAVTGA-BLLLJJGKSA-N -1 3 333.344 2.926 20 5 EFBDHM O=[N+]([O-])c1ccc2[n-]c(OC[C@@H]3CC[C@@]4(CCCCO4)O3)nc2c1 ZINC001227746597 1311849634 /nfs/dbraw/zinc/84/96/34/1311849634.db2.gz UGEGTMFSWAVTGA-BLLLJJGKSA-N -1 3 333.344 2.926 20 5 EFBDHM C[C@@H](O)CC(=O)Oc1c2ccccc2c([O-])c2c(O)ccc(O)c12 ZINC001228173214 1311911083 /nfs/dbraw/zinc/91/10/83/1311911083.db2.gz GITRTODIEFHKHC-SECBINFHSA-N -1 3 328.320 2.786 20 5 EFBDHM CCOC(=O)[C@@H]1CCC[C@H]1Oc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1 ZINC001228673307 1311979589 /nfs/dbraw/zinc/97/95/89/1311979589.db2.gz FOZRRHFHPNRHKO-QMTHXVAHSA-N -1 3 333.344 2.890 20 5 EFBDHM Cc1[n-]c(=O)cc(OC2CC(C)(C)N(O)C(C)(C)C2)c1[N+](=O)[O-] ZINC001228686633 1311982020 /nfs/dbraw/zinc/98/20/20/1311982020.db2.gz PQHCFWIFFGMDDZ-UHFFFAOYSA-N -1 3 325.365 2.793 20 5 EFBDHM COC(=O)c1ccc([C@@H](C)Oc2cc(=O)[n-]c(C)c2[N+](=O)[O-])cc1 ZINC001228686515 1311981989 /nfs/dbraw/zinc/98/19/89/1311981989.db2.gz NNZNEMFWUHACCX-SNVBAGLBSA-N -1 3 332.312 2.930 20 5 EFBDHM COc1ccccc1OC[C@H](C)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228687750 1311982284 /nfs/dbraw/zinc/98/22/84/1311982284.db2.gz APPWAVBTDUTFTB-JTQLQIEISA-N -1 3 334.328 2.859 20 5 EFBDHM O=[N+]([O-])c1cc(F)cnc1-c1noc(Cc2ccc([O-])cc2F)n1 ZINC001248143282 1314894851 /nfs/dbraw/zinc/89/48/51/1314894851.db2.gz LTVUUFIDJBOYIS-UHFFFAOYSA-N -1 3 334.238 2.614 20 5 EFBDHM O=[N+]([O-])c1cc(F)cnc1-c1noc(-c2[n-]nc3c2cccc3F)n1 ZINC001217322982 1315060379 /nfs/dbraw/zinc/06/03/79/1315060379.db2.gz LATXFKRMVFUJOK-UHFFFAOYSA-N -1 3 344.237 2.861 20 5 EFBDHM CCCCCc1nnc(-c2n[n-]c([N+](=O)[O-])c2Br)o1 ZINC001256113515 1315905780 /nfs/dbraw/zinc/90/57/80/1315905780.db2.gz YMQRYLUKBDKUIQ-UHFFFAOYSA-N -1 3 330.142 2.863 20 5 EFBDHM CCCCCc1nnc(-c2[n-]nc([N+](=O)[O-])c2Br)o1 ZINC001256113515 1315905783 /nfs/dbraw/zinc/90/57/83/1315905783.db2.gz YMQRYLUKBDKUIQ-UHFFFAOYSA-N -1 3 330.142 2.863 20 5 EFBDHM O=C(N[C@H]1C[C@H](CNc2ccccc2[N+](=O)[O-])C1)c1ccccc1[O-] ZINC001068440611 1316111919 /nfs/dbraw/zinc/11/19/19/1316111919.db2.gz PZWFDJCPZPRUHR-JOCQHMNTSA-N -1 3 341.367 2.921 20 5 EFBDHM O=C(c1cccs1)C1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001328012002 1330541200 /nfs/dbraw/zinc/54/12/00/1330541200.db2.gz FQIMHUUVOUTIEI-UHFFFAOYSA-N -1 3 333.369 2.856 20 5 EFBDHM C[C@@H](NCc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000824613923 1426495124 /nfs/dbraw/zinc/49/51/24/1426495124.db2.gz YLUVWKZYWUMGBU-SNVBAGLBSA-N -1 3 342.334 2.765 20 5 EFBDHM C[C@@H](NCc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000824613923 1426495126 /nfs/dbraw/zinc/49/51/26/1426495126.db2.gz YLUVWKZYWUMGBU-SNVBAGLBSA-N -1 3 342.334 2.765 20 5 EFBDHM CC(C)(NCc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000819988196 1442436261 /nfs/dbraw/zinc/43/62/61/1442436261.db2.gz UGQLZEWWUXCCKB-UHFFFAOYSA-N -1 3 338.371 2.800 20 5 EFBDHM CC(C)(NCc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000819988196 1442436262 /nfs/dbraw/zinc/43/62/62/1442436262.db2.gz UGQLZEWWUXCCKB-UHFFFAOYSA-N -1 3 338.371 2.800 20 5 EFBDHM O=C([N-]N1Cc2ccccc2C1=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000121011886 713688255 /nfs/dbraw/zinc/68/82/55/713688255.db2.gz IKVADHIPTDETKD-UHFFFAOYSA-N -1 3 331.715 2.549 20 5 EFBDHM O=C1[N-]C(=O)C(=Cc2ccc(Br)c([N+](=O)[O-])c2)S1 ZINC000007154821 717366208 /nfs/dbraw/zinc/36/62/08/717366208.db2.gz IKSONEJGJSTUDG-YWEYNIOJSA-N -1 3 329.131 2.681 20 5 EFBDHM O=C(CC1=CCCCC1)N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001059585833 724651331 /nfs/dbraw/zinc/65/13/31/724651331.db2.gz DXWKDAUYZDFOTM-BETUJISGSA-N -1 3 346.387 2.645 20 5 EFBDHM O=C(N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1)C1=CCCCCC1 ZINC001059620274 724785748 /nfs/dbraw/zinc/78/57/48/724785748.db2.gz QRLCYDNAKPJQQG-BETUJISGSA-N -1 3 346.387 2.645 20 5 EFBDHM O=C(N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2F)C1)c1ccccc1[O-] ZINC001059153623 722661189 /nfs/dbraw/zinc/66/11/89/722661189.db2.gz TVVKEPXFUIFPAZ-XYPYZODXSA-N -1 3 345.330 2.812 20 5 EFBDHM CCN(C)c1ccccc1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000730269898 725575996 /nfs/dbraw/zinc/57/59/96/725575996.db2.gz LMNYXUKSOZDOFK-UHFFFAOYSA-N -1 3 349.412 2.529 20 5 EFBDHM CC(=O)Nc1ccc(OC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000032271293 726855134 /nfs/dbraw/zinc/85/51/34/726855134.db2.gz HLMXAIREUUUQRK-UHFFFAOYSA-N -1 3 340.295 2.649 20 5 EFBDHM CSCC(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000908381955 727174173 /nfs/dbraw/zinc/17/41/73/727174173.db2.gz DRRSZYQYVSFRFR-UHFFFAOYSA-N -1 3 338.838 2.668 20 5 EFBDHM O=C(Nc1ccc(N2CCCC2)c(F)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000130856243 729765714 /nfs/dbraw/zinc/76/57/14/729765714.db2.gz JPFYQMCCURVMON-UHFFFAOYSA-N -1 3 346.318 2.687 20 5 EFBDHM O=C([O-])C1(NCc2cc([N+](=O)[O-])ccc2Br)CCCC1 ZINC001601721499 971045575 /nfs/dbraw/zinc/04/55/75/971045575.db2.gz VYISZQBNQTXNIN-UHFFFAOYSA-N -1 3 343.177 2.844 20 5 EFBDHM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@@H]2CCCC[C@@H]21 ZINC000824992071 947029925 /nfs/dbraw/zinc/02/99/25/947029925.db2.gz JNAYCNLIIYYYID-MPKXVKKWSA-N -1 3 328.376 2.790 20 5 EFBDHM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@@H]2CCCC[C@@H]21 ZINC000824992071 947029935 /nfs/dbraw/zinc/02/99/35/947029935.db2.gz JNAYCNLIIYYYID-MPKXVKKWSA-N -1 3 328.376 2.790 20 5 EFBDHM CC(C)[C@H]1CCC[C@H](Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001574088845 948939839 /nfs/dbraw/zinc/93/98/39/948939839.db2.gz FGLZFNKMXJOGDS-JQWIXIFHSA-N -1 3 331.380 2.797 20 5 EFBDHM CC(C)[C@H]1CCC[C@H](Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001574088845 948939854 /nfs/dbraw/zinc/93/98/54/948939854.db2.gz FGLZFNKMXJOGDS-JQWIXIFHSA-N -1 3 331.380 2.797 20 5 EFBDHM C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589131912 956204909 /nfs/dbraw/zinc/20/49/09/956204909.db2.gz IFTLQXUTHZZEHM-ZMLRMANQSA-N -1 3 347.371 2.961 20 5 EFBDHM CC(C)O[C@@H]1C[C@H](NCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1(C)C ZINC001591696363 975533806 /nfs/dbraw/zinc/53/38/06/975533806.db2.gz RLCCTJIMIQSPBA-LSDHHAIUSA-N -1 3 336.388 2.975 20 5 EFBDHM CC([C@H](OC(=O)c1cc(C(=O)[O-])co1)c1ccccc1F)[N+](=O)[O-] ZINC001589554293 987300625 /nfs/dbraw/zinc/30/06/25/987300625.db2.gz YTKMTCGUBAKBNS-OQPBUACISA-N -1 3 337.259 2.680 20 5 EFBDHM CCc1ccccc1CNCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001597609185 988491180 /nfs/dbraw/zinc/49/11/80/988491180.db2.gz JAAHOLFZUAZUBJ-UHFFFAOYSA-N -1 3 344.367 2.910 20 5 EFBDHM CN(CCNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC001598495194 992349901 /nfs/dbraw/zinc/34/99/01/992349901.db2.gz BBSSJBYYIMODDU-UHFFFAOYSA-N -1 3 347.346 2.976 20 5 EFBDHM C[C@](NCc1ccc([N+](=O)[O-])cc1Br)(C(=O)[O-])C1CC1 ZINC001593299756 994723894 /nfs/dbraw/zinc/72/38/94/994723894.db2.gz VIJIYCZIABXFJO-CYBMUJFWSA-N -1 3 343.177 2.700 20 5 EFBDHM C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC001593738547 996349030 /nfs/dbraw/zinc/34/90/30/996349030.db2.gz XISQKLRNDZEBAC-OPQQBVKSSA-N -1 3 346.343 2.501 20 5 EFBDHM COc1ccc([C@H](NCc2ccc([N+](=O)[O-])cc2C)C(=O)[O-])cc1 ZINC001599532278 997677277 /nfs/dbraw/zinc/67/72/77/997677277.db2.gz RFNMPNRCCVJTCX-INIZCTEOSA-N -1 3 330.340 2.827 20 5 EFBDHM CC(C)(CNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1)C1=CCCC1 ZINC001573902701 1087907279 /nfs/dbraw/zinc/90/72/79/1087907279.db2.gz TUWFXBBMLDQLHR-UHFFFAOYSA-N -1 3 343.391 2.906 20 5 EFBDHM CC(C)(CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1)C1=CCCC1 ZINC001573902701 1087907286 /nfs/dbraw/zinc/90/72/86/1087907286.db2.gz TUWFXBBMLDQLHR-UHFFFAOYSA-N -1 3 343.391 2.906 20 5 EFBDHM CC1(C)CCC(CNc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)CC1 ZINC001575669292 1088622420 /nfs/dbraw/zinc/62/24/20/1088622420.db2.gz WGHOWVAYFGIYJM-UHFFFAOYSA-N -1 3 345.407 2.985 20 5 EFBDHM CC1(C)CCC(CNc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)CC1 ZINC001575669292 1088622434 /nfs/dbraw/zinc/62/24/34/1088622434.db2.gz WGHOWVAYFGIYJM-UHFFFAOYSA-N -1 3 345.407 2.985 20 5 EFBDHM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)c2ccccc21 ZINC001576366689 1089149815 /nfs/dbraw/zinc/14/98/15/1089149815.db2.gz TYNSKQJNYFPMMP-SECBINFHSA-N -1 3 337.343 2.612 20 5 EFBDHM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)c2ccccc21 ZINC001576366689 1089149825 /nfs/dbraw/zinc/14/98/25/1089149825.db2.gz TYNSKQJNYFPMMP-SECBINFHSA-N -1 3 337.343 2.612 20 5 EFBDHM CCc1cnc(CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])s1 ZINC001578556225 1090396191 /nfs/dbraw/zinc/39/61/91/1090396191.db2.gz SBESHUPGBLVZEM-UHFFFAOYSA-N -1 3 349.351 2.545 20 5 EFBDHM CCc1cnc(CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])s1 ZINC001578556225 1090396196 /nfs/dbraw/zinc/39/61/96/1090396196.db2.gz SBESHUPGBLVZEM-UHFFFAOYSA-N -1 3 349.351 2.545 20 5 EFBDHM CCc1csc(Sc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])n1 ZINC001578560867 1090397370 /nfs/dbraw/zinc/39/73/70/1090397370.db2.gz YXNCUXJFKACGOE-UHFFFAOYSA-N -1 3 334.386 2.945 20 5 EFBDHM CCc1csc(Sc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC001578560867 1090397377 /nfs/dbraw/zinc/39/73/77/1090397377.db2.gz YXNCUXJFKACGOE-UHFFFAOYSA-N -1 3 334.386 2.945 20 5 EFBDHM COC1(CNc2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)CCCCC1 ZINC001579602820 1090641008 /nfs/dbraw/zinc/64/10/08/1090641008.db2.gz VWEZKVNRVLASHH-UHFFFAOYSA-N -1 3 346.391 2.845 20 5 EFBDHM COC1(CNc2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)CCCCC1 ZINC001579602820 1090641009 /nfs/dbraw/zinc/64/10/09/1090641009.db2.gz VWEZKVNRVLASHH-UHFFFAOYSA-N -1 3 346.391 2.845 20 5 EFBDHM COc1cccc(F)c1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001580070349 1090761797 /nfs/dbraw/zinc/76/17/97/1090761797.db2.gz WRKXPQHPAKLATG-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM COc1cccc(F)c1CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001580070349 1090761801 /nfs/dbraw/zinc/76/18/01/1090761801.db2.gz WRKXPQHPAKLATG-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1cscc1-c1nnn[n-]1 ZINC001580561677 1090949808 /nfs/dbraw/zinc/94/98/08/1090949808.db2.gz JXHWUYCJXUGEQP-UHFFFAOYSA-N -1 3 348.319 2.536 20 5 EFBDHM Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1cscc1-c1nn[n-]n1 ZINC001580561677 1090949810 /nfs/dbraw/zinc/94/98/10/1090949810.db2.gz JXHWUYCJXUGEQP-UHFFFAOYSA-N -1 3 348.319 2.536 20 5 EFBDHM Cc1cc(NC[C@@H]2C[C@@H]2[C@H]2C[C@H]2C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001581021716 1091061776 /nfs/dbraw/zinc/06/17/76/1091061776.db2.gz RLEJRDSCNYWDJL-QTKMDUPCSA-N -1 3 328.376 2.787 20 5 EFBDHM Cc1cc(NC[C@@H]2C[C@@H]2[C@H]2C[C@H]2C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001581021716 1091061781 /nfs/dbraw/zinc/06/17/81/1091061781.db2.gz RLEJRDSCNYWDJL-QTKMDUPCSA-N -1 3 328.376 2.787 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(NC[C@@H]2CCC[C@@H]2C2CC2)c1-c1nnn[n-]1 ZINC001581909879 1091334035 /nfs/dbraw/zinc/33/40/35/1091334035.db2.gz YRZMLIPRZQEAGP-WDEREUQCSA-N -1 3 343.391 2.595 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(NC[C@@H]2CCC[C@@H]2C2CC2)c1-c1nn[n-]n1 ZINC001581909879 1091334046 /nfs/dbraw/zinc/33/40/46/1091334046.db2.gz YRZMLIPRZQEAGP-WDEREUQCSA-N -1 3 343.391 2.595 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCc1cccc(F)c1F ZINC001582803690 1091669130 /nfs/dbraw/zinc/66/91/30/1091669130.db2.gz QUJQEXGPEIAXBW-UHFFFAOYSA-N -1 3 332.270 2.665 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCc1cccc(F)c1F ZINC001582803690 1091669134 /nfs/dbraw/zinc/66/91/34/1091669134.db2.gz QUJQEXGPEIAXBW-UHFFFAOYSA-N -1 3 332.270 2.665 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1Cc2cc(F)c(F)cc2C1 ZINC001582804347 1091670693 /nfs/dbraw/zinc/67/06/93/1091670693.db2.gz QYBSNWXRZZCQPP-UHFFFAOYSA-N -1 3 344.281 2.573 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1Cc2cc(F)c(F)cc2C1 ZINC001582804347 1091670695 /nfs/dbraw/zinc/67/06/95/1091670695.db2.gz QYBSNWXRZZCQPP-UHFFFAOYSA-N -1 3 344.281 2.573 20 5 EFBDHM C[C@@H](C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C(C)(C)C ZINC001589030525 1093019388 /nfs/dbraw/zinc/01/93/88/1093019388.db2.gz MWJSQHURYDHKHE-VIFPVBQESA-N -1 3 333.348 2.500 20 5 EFBDHM C[C@@H](C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C(C)(C)C ZINC001589030525 1093019397 /nfs/dbraw/zinc/01/93/97/1093019397.db2.gz MWJSQHURYDHKHE-VIFPVBQESA-N -1 3 333.348 2.500 20 5 EFBDHM CC(C)(C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1CCC1 ZINC001589061883 1093025429 /nfs/dbraw/zinc/02/54/29/1093025429.db2.gz NVTBAWLFMITANP-UHFFFAOYSA-N -1 3 345.359 2.644 20 5 EFBDHM CC(C)(C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C1CCC1 ZINC001589061883 1093025438 /nfs/dbraw/zinc/02/54/38/1093025438.db2.gz NVTBAWLFMITANP-UHFFFAOYSA-N -1 3 345.359 2.644 20 5 EFBDHM CC(C)(C)C1=CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC001589095930 1093027469 /nfs/dbraw/zinc/02/74/69/1093027469.db2.gz IXAXCMNEJJIXNT-UHFFFAOYSA-N -1 3 328.376 2.958 20 5 EFBDHM CC(C)(C)[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CCO1 ZINC001589099596 1093030212 /nfs/dbraw/zinc/03/02/12/1093030212.db2.gz PGVDTQDMRMYIGT-SMDDNHRTSA-N -1 3 346.391 2.781 20 5 EFBDHM CC(C)(C)CCC(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589119431 1093036626 /nfs/dbraw/zinc/03/66/26/1093036626.db2.gz RCTGQAUBLFQOTG-UHFFFAOYSA-N -1 3 333.348 2.644 20 5 EFBDHM CC(C)(C)CCC(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589119431 1093036632 /nfs/dbraw/zinc/03/66/32/1093036632.db2.gz RCTGQAUBLFQOTG-UHFFFAOYSA-N -1 3 333.348 2.644 20 5 EFBDHM CC(C)(C)OC1CCN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001589193357 1093044205 /nfs/dbraw/zinc/04/42/05/1093044205.db2.gz RAHUTNPSIKLCLN-UHFFFAOYSA-N -1 3 346.391 2.559 20 5 EFBDHM CC(C)(C)OC1CCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1 ZINC001589193357 1093044214 /nfs/dbraw/zinc/04/42/14/1093044214.db2.gz RAHUTNPSIKLCLN-UHFFFAOYSA-N -1 3 346.391 2.559 20 5 EFBDHM CC(C)(C)c1ccc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)o1 ZINC001589227192 1093052973 /nfs/dbraw/zinc/05/29/73/1093052973.db2.gz PEUYUPGLRFWATL-UHFFFAOYSA-N -1 3 343.347 2.673 20 5 EFBDHM CC(C)(C)c1ccc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)o1 ZINC001589227192 1093052981 /nfs/dbraw/zinc/05/29/81/1093052981.db2.gz PEUYUPGLRFWATL-UHFFFAOYSA-N -1 3 343.347 2.673 20 5 EFBDHM CC(C)(CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])C(F)(F)F ZINC001589288949 1093064289 /nfs/dbraw/zinc/06/42/89/1093064289.db2.gz VBNZJSGQMXZQDY-UHFFFAOYSA-N -1 3 330.270 2.775 20 5 EFBDHM CC(C)(CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])C(F)(F)F ZINC001589288949 1093064299 /nfs/dbraw/zinc/06/42/99/1093064299.db2.gz VBNZJSGQMXZQDY-UHFFFAOYSA-N -1 3 330.270 2.775 20 5 EFBDHM C[C@H](CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1 ZINC001589833041 1093156930 /nfs/dbraw/zinc/15/69/30/1093156930.db2.gz FZFIGMOYOPNMFX-LLVKDONJSA-N -1 3 339.359 2.776 20 5 EFBDHM C[C@H](CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccccc1 ZINC001589833041 1093156936 /nfs/dbraw/zinc/15/69/36/1093156936.db2.gz FZFIGMOYOPNMFX-LLVKDONJSA-N -1 3 339.359 2.776 20 5 EFBDHM C[C@@H](CCc1cccn1C)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001589836822 1093158848 /nfs/dbraw/zinc/15/88/48/1093158848.db2.gz SDNNNVBJBCBEKL-NSHDSACASA-N -1 3 341.375 2.547 20 5 EFBDHM C[C@@H](CCc1cccn1C)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001589836822 1093158852 /nfs/dbraw/zinc/15/88/52/1093158852.db2.gz SDNNNVBJBCBEKL-NSHDSACASA-N -1 3 341.375 2.547 20 5 EFBDHM C[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)CC(F)(F)F ZINC001589877083 1093162140 /nfs/dbraw/zinc/16/21/40/1093162140.db2.gz KBJYVSLIHWDZQW-ZETCQYMHSA-N -1 3 330.270 2.775 20 5 EFBDHM C[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)CC(F)(F)F ZINC001589877083 1093162144 /nfs/dbraw/zinc/16/21/44/1093162144.db2.gz KBJYVSLIHWDZQW-ZETCQYMHSA-N -1 3 330.270 2.775 20 5 EFBDHM C[C@H](CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)Oc1ccccc1 ZINC001589876760 1093162352 /nfs/dbraw/zinc/16/23/52/1093162352.db2.gz PTYDENVATTZGSK-LLVKDONJSA-N -1 3 340.343 2.654 20 5 EFBDHM CC(C)(CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C(C)(F)F ZINC001589906697 1093175848 /nfs/dbraw/zinc/17/58/48/1093175848.db2.gz ZPIYREVSLJIGGL-UHFFFAOYSA-N -1 3 326.307 2.868 20 5 EFBDHM CC(C)(CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C(C)(F)F ZINC001589906697 1093175850 /nfs/dbraw/zinc/17/58/50/1093175850.db2.gz ZPIYREVSLJIGGL-UHFFFAOYSA-N -1 3 326.307 2.868 20 5 EFBDHM C[C@H](SCc1cn(C)nc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC001590033631 1093230664 /nfs/dbraw/zinc/23/06/64/1093230664.db2.gz NXNCSQXJICYIGK-VIFPVBQESA-N -1 3 345.388 2.503 20 5 EFBDHM C[C@H](SCc1cn(C)nc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC001590033631 1093230670 /nfs/dbraw/zinc/23/06/70/1093230670.db2.gz NXNCSQXJICYIGK-VIFPVBQESA-N -1 3 345.388 2.503 20 5 EFBDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001590048452 1093243422 /nfs/dbraw/zinc/24/34/22/1093243422.db2.gz HJIFOFRACGURPT-NSHDSACASA-N -1 3 336.355 2.899 20 5 EFBDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001590048452 1093243425 /nfs/dbraw/zinc/24/34/25/1093243425.db2.gz HJIFOFRACGURPT-NSHDSACASA-N -1 3 336.355 2.899 20 5 EFBDHM CC1(C)CC(CC(=O)OCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001590082233 1093255483 /nfs/dbraw/zinc/25/54/83/1093255483.db2.gz ZCAMUHPOCIENDY-UHFFFAOYSA-N -1 3 345.359 2.644 20 5 EFBDHM CC1(C)CC(CC(=O)OCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001590082233 1093255488 /nfs/dbraw/zinc/25/54/88/1093255488.db2.gz ZCAMUHPOCIENDY-UHFFFAOYSA-N -1 3 345.359 2.644 20 5 EFBDHM CC1(C)CCC(O)(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001590090208 1093262067 /nfs/dbraw/zinc/26/20/67/1093262067.db2.gz GMJONGXTRXKLDE-UHFFFAOYSA-N -1 3 346.391 2.518 20 5 EFBDHM CC1(C)CCC(O)(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001590090208 1093262070 /nfs/dbraw/zinc/26/20/70/1093262070.db2.gz GMJONGXTRXKLDE-UHFFFAOYSA-N -1 3 346.391 2.518 20 5 EFBDHM CC1(C)CCC(O)(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001590090379 1093262516 /nfs/dbraw/zinc/26/25/16/1093262516.db2.gz KRJWDUYCGOFNSI-UHFFFAOYSA-N -1 3 346.391 2.518 20 5 EFBDHM CC1(C)CCC(O)(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1 ZINC001590090379 1093262520 /nfs/dbraw/zinc/26/25/20/1093262520.db2.gz KRJWDUYCGOFNSI-UHFFFAOYSA-N -1 3 346.391 2.518 20 5 EFBDHM CC1(C)CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)O1 ZINC001590093810 1093263833 /nfs/dbraw/zinc/26/38/33/1093263833.db2.gz NDRPRDBDXKPXTE-NSHDSACASA-N -1 3 332.364 2.535 20 5 EFBDHM CC1(C)CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)O1 ZINC001590093810 1093263840 /nfs/dbraw/zinc/26/38/40/1093263840.db2.gz NDRPRDBDXKPXTE-NSHDSACASA-N -1 3 332.364 2.535 20 5 EFBDHM C[C@@H]1[C@H](C(F)(F)F)CCN1c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001590166665 1093293731 /nfs/dbraw/zinc/29/37/31/1093293731.db2.gz FSWJXWXJZKKAGG-VXNVDRBHSA-N -1 3 342.281 2.552 20 5 EFBDHM C[C@@H]1[C@H](C(F)(F)F)CCN1c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001590166665 1093293739 /nfs/dbraw/zinc/29/37/39/1093293739.db2.gz FSWJXWXJZKKAGG-VXNVDRBHSA-N -1 3 342.281 2.552 20 5 EFBDHM C[C@H]1[C@H](C(F)(F)F)CCN1c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590167107 1093293758 /nfs/dbraw/zinc/29/37/58/1093293758.db2.gz KSMHYIJLHSXPDV-OIBJUYFYSA-N -1 3 342.281 2.552 20 5 EFBDHM C[C@H]1[C@@H](C(F)(F)F)CCN1c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590167109 1093295024 /nfs/dbraw/zinc/29/50/24/1093295024.db2.gz KSMHYIJLHSXPDV-XVKPBYJWSA-N -1 3 342.281 2.552 20 5 EFBDHM C[C@H]1C[C@H](CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC001590186259 1093296229 /nfs/dbraw/zinc/29/62/29/1093296229.db2.gz BEXWRYFNQCEJBF-URLYPYJESA-N -1 3 331.380 2.654 20 5 EFBDHM C[C@H]1C[C@H](CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC001590186259 1093296234 /nfs/dbraw/zinc/29/62/34/1093296234.db2.gz BEXWRYFNQCEJBF-URLYPYJESA-N -1 3 331.380 2.654 20 5 EFBDHM C[C@H]1CC[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001590236047 1093324339 /nfs/dbraw/zinc/32/43/39/1093324339.db2.gz FROVKBIXVLKAAP-UWVGGRQHSA-N -1 3 339.359 2.924 20 5 EFBDHM C[C@H]1CC[C@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001590236047 1093324349 /nfs/dbraw/zinc/32/43/49/1093324349.db2.gz FROVKBIXVLKAAP-UWVGGRQHSA-N -1 3 339.359 2.924 20 5 EFBDHM C[C@H]1CCCC[C@H]1OCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590254140 1093342249 /nfs/dbraw/zinc/34/22/49/1093342249.db2.gz JXIHKBHXDZGZMI-XHDPSFHLSA-N -1 3 346.391 2.782 20 5 EFBDHM C[C@H]1CCCC[C@H]1OCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590254140 1093342259 /nfs/dbraw/zinc/34/22/59/1093342259.db2.gz JXIHKBHXDZGZMI-XHDPSFHLSA-N -1 3 346.391 2.782 20 5 EFBDHM C[C@@H]1CCN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])CC12CCC2 ZINC001590277023 1093357363 /nfs/dbraw/zinc/35/73/63/1093357363.db2.gz SVEVRJKHDHTDHC-SNVBAGLBSA-N -1 3 346.366 2.931 20 5 EFBDHM C[C@@H]1CCN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])CC12CCC2 ZINC001590277023 1093357373 /nfs/dbraw/zinc/35/73/73/1093357373.db2.gz SVEVRJKHDHTDHC-SNVBAGLBSA-N -1 3 346.366 2.931 20 5 EFBDHM C[C@H]1Oc2ccccc2[C@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590336102 1093382047 /nfs/dbraw/zinc/38/20/47/1093382047.db2.gz JNUBKRGAEDAURO-PSLIRLAXSA-N -1 3 338.327 2.709 20 5 EFBDHM C[C@H]1Oc2ccccc2[C@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590336102 1093382057 /nfs/dbraw/zinc/38/20/57/1093382057.db2.gz JNUBKRGAEDAURO-PSLIRLAXSA-N -1 3 338.327 2.709 20 5 EFBDHM CCC(C)(C)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001590376582 1093394952 /nfs/dbraw/zinc/39/49/52/1093394952.db2.gz JJAYRNKGMYJLNH-UHFFFAOYSA-N -1 3 327.348 2.924 20 5 EFBDHM CCC(C)(C)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001590376582 1093394958 /nfs/dbraw/zinc/39/49/58/1093394958.db2.gz JJAYRNKGMYJLNH-UHFFFAOYSA-N -1 3 327.348 2.924 20 5 EFBDHM CC[C@@H](CC(F)(F)F)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590421200 1093414252 /nfs/dbraw/zinc/41/42/52/1093414252.db2.gz HSIZLGVHSVTBCK-ZETCQYMHSA-N -1 3 330.270 2.918 20 5 EFBDHM CC[C@@H]1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590512304 1093468106 /nfs/dbraw/zinc/46/81/06/1093468106.db2.gz QEECUZFYPUOEEH-GHMZBOCLSA-N -1 3 331.380 2.798 20 5 EFBDHM CC[C@@H]1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590512304 1093468112 /nfs/dbraw/zinc/46/81/12/1093468112.db2.gz QEECUZFYPUOEEH-GHMZBOCLSA-N -1 3 331.380 2.798 20 5 EFBDHM CCC[C@H](O)CCCSc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001590559663 1093486068 /nfs/dbraw/zinc/48/60/68/1093486068.db2.gz ISSNQDBMEGFSTA-NSHDSACASA-N -1 3 337.405 2.808 20 5 EFBDHM CCC[C@H](O)CCCSc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001590559663 1093486071 /nfs/dbraw/zinc/48/60/71/1093486071.db2.gz ISSNQDBMEGFSTA-NSHDSACASA-N -1 3 337.405 2.808 20 5 EFBDHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC001590876081 1093609175 /nfs/dbraw/zinc/60/91/75/1093609175.db2.gz NOJWYCGPJFYMDQ-UHFFFAOYSA-N -1 3 344.356 2.651 20 5 EFBDHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC001590876081 1093609179 /nfs/dbraw/zinc/60/91/79/1093609179.db2.gz NOJWYCGPJFYMDQ-UHFFFAOYSA-N -1 3 344.356 2.651 20 5 EFBDHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC001590875968 1093609715 /nfs/dbraw/zinc/60/97/15/1093609715.db2.gz GQFDWAQISFJPJG-UHFFFAOYSA-N -1 3 344.356 2.651 20 5 EFBDHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC001590875968 1093609719 /nfs/dbraw/zinc/60/97/19/1093609719.db2.gz GQFDWAQISFJPJG-UHFFFAOYSA-N -1 3 344.356 2.651 20 5 EFBDHM CCc1cc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)ccc1F ZINC001590883674 1093612917 /nfs/dbraw/zinc/61/29/17/1093612917.db2.gz LECYDSBFHSEMAU-UHFFFAOYSA-N -1 3 329.295 2.615 20 5 EFBDHM CCc1cc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)ccc1F ZINC001590883674 1093612919 /nfs/dbraw/zinc/61/29/19/1093612919.db2.gz LECYDSBFHSEMAU-UHFFFAOYSA-N -1 3 329.295 2.615 20 5 EFBDHM CN(CCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1-c1nnn[n-]1 ZINC001591122237 1093665237 /nfs/dbraw/zinc/66/52/37/1093665237.db2.gz GDJXYNYRIMYQJS-UHFFFAOYSA-N -1 3 342.334 2.593 20 5 EFBDHM CN(CCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1-c1nn[n-]n1 ZINC001591122237 1093665239 /nfs/dbraw/zinc/66/52/39/1093665239.db2.gz GDJXYNYRIMYQJS-UHFFFAOYSA-N -1 3 342.334 2.593 20 5 EFBDHM CN(Cc1ccccc1F)c1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591148859 1093673513 /nfs/dbraw/zinc/67/35/13/1093673513.db2.gz IPZGRWFGPXZHJJ-UHFFFAOYSA-N -1 3 346.297 2.690 20 5 EFBDHM CN(Cc1ccccc1F)c1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591148859 1093673518 /nfs/dbraw/zinc/67/35/18/1093673518.db2.gz IPZGRWFGPXZHJJ-UHFFFAOYSA-N -1 3 346.297 2.690 20 5 EFBDHM CN(Cc1cccc(F)c1)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001591146787 1093674040 /nfs/dbraw/zinc/67/40/40/1093674040.db2.gz JPCZQAFRBCWGEN-UHFFFAOYSA-N -1 3 328.307 2.550 20 5 EFBDHM CN(Cc1cccc(F)c1)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591146787 1093674043 /nfs/dbraw/zinc/67/40/43/1093674043.db2.gz JPCZQAFRBCWGEN-UHFFFAOYSA-N -1 3 328.307 2.550 20 5 EFBDHM CNc1ccc([N+](=O)[O-])cc1N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001591222907 1093679126 /nfs/dbraw/zinc/67/91/26/1093679126.db2.gz BSGHXONTEKWIEF-JTQLQIEISA-N -1 3 339.359 2.990 20 5 EFBDHM CNc1ccc([N+](=O)[O-])cc1N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001591222907 1093679128 /nfs/dbraw/zinc/67/91/28/1093679128.db2.gz BSGHXONTEKWIEF-JTQLQIEISA-N -1 3 339.359 2.990 20 5 EFBDHM COc1c(C)cccc1CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591479267 1093733581 /nfs/dbraw/zinc/73/35/81/1093733581.db2.gz LTBYLRLBGLWRCT-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM COc1c(C)cccc1CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591479267 1093733584 /nfs/dbraw/zinc/73/35/84/1093733584.db2.gz LTBYLRLBGLWRCT-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM COc1cc(CNc2cc(C)ccc2[N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001591538447 1093757271 /nfs/dbraw/zinc/75/72/71/1093757271.db2.gz MKDSMCHJHMUXGE-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM COc1cc(CNc2cc(C)ccc2[N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001591538447 1093757276 /nfs/dbraw/zinc/75/72/76/1093757276.db2.gz MKDSMCHJHMUXGE-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM COc1cc(F)cc(Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c1 ZINC001591540690 1093759222 /nfs/dbraw/zinc/75/92/22/1093759222.db2.gz HBPIQKOVVRXDNO-UHFFFAOYSA-N -1 3 330.279 2.666 20 5 EFBDHM COc1cc(F)cc(Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c1 ZINC001591540690 1093759228 /nfs/dbraw/zinc/75/92/28/1093759228.db2.gz HBPIQKOVVRXDNO-UHFFFAOYSA-N -1 3 330.279 2.666 20 5 EFBDHM COc1cc(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])ccc1F ZINC001591547887 1093762751 /nfs/dbraw/zinc/76/27/51/1093762751.db2.gz SFNPTIUTFULRDI-UHFFFAOYSA-N -1 3 330.279 2.666 20 5 EFBDHM COc1cc(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])ccc1F ZINC001591547887 1093762755 /nfs/dbraw/zinc/76/27/55/1093762755.db2.gz SFNPTIUTFULRDI-UHFFFAOYSA-N -1 3 330.279 2.666 20 5 EFBDHM COc1cc(OCc2ccc([N+](=O)[O-])cc2F)cc(-c2nnn[n-]2)c1 ZINC001591553086 1093767376 /nfs/dbraw/zinc/76/73/76/1093767376.db2.gz UPKSGRUBSBTAQK-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1cc(OCc2ccc([N+](=O)[O-])cc2F)cc(-c2nn[n-]n2)c1 ZINC001591553086 1093767384 /nfs/dbraw/zinc/76/73/84/1093767384.db2.gz UPKSGRUBSBTAQK-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1CNc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001591554571 1093767834 /nfs/dbraw/zinc/76/78/34/1093767834.db2.gz DWJCENCIOVXOMA-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1CNc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001591554571 1093767839 /nfs/dbraw/zinc/76/78/39/1093767839.db2.gz DWJCENCIOVXOMA-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM COc1ccc(F)c(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])c1 ZINC001591605945 1093792756 /nfs/dbraw/zinc/79/27/56/1093792756.db2.gz RYYLUNAUDFQGPV-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM COc1ccc(F)c(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])c1 ZINC001591605945 1093792764 /nfs/dbraw/zinc/79/27/64/1093792764.db2.gz RYYLUNAUDFQGPV-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM COc1ccc([N+](=O)[O-])cc1COc1ccc(-c2nn[n-]n2)cc1C ZINC001591622787 1093803425 /nfs/dbraw/zinc/80/34/25/1093803425.db2.gz CPRGRMLMMXUVPK-UHFFFAOYSA-N -1 3 341.327 2.671 20 5 EFBDHM COc1ccc([N+](=O)[O-])c(Oc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC001591623367 1093803743 /nfs/dbraw/zinc/80/37/43/1093803743.db2.gz RFQJKYNFJINWCS-UHFFFAOYSA-N -1 3 348.706 2.624 20 5 EFBDHM COc1ccc([N+](=O)[O-])c(Oc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC001591623367 1093803745 /nfs/dbraw/zinc/80/37/45/1093803745.db2.gz RFQJKYNFJINWCS-UHFFFAOYSA-N -1 3 348.706 2.624 20 5 EFBDHM CS[C@@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001591689385 1093824128 /nfs/dbraw/zinc/82/41/28/1093824128.db2.gz FEDLHSDFXGGBGP-GXSJLCMTSA-N -1 3 334.405 2.861 20 5 EFBDHM CS[C@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001591689470 1093825309 /nfs/dbraw/zinc/82/53/09/1093825309.db2.gz FEDLHSDFXGGBGP-ONGXEEELSA-N -1 3 334.405 2.861 20 5 EFBDHM CSCC1CCC(Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001591697325 1093828047 /nfs/dbraw/zinc/82/80/47/1093828047.db2.gz FDKKFVPWJQCUCD-UHFFFAOYSA-N -1 3 349.420 2.504 20 5 EFBDHM CSCC1CCC(Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001591697325 1093828050 /nfs/dbraw/zinc/82/80/50/1093828050.db2.gz FDKKFVPWJQCUCD-UHFFFAOYSA-N -1 3 349.420 2.504 20 5 EFBDHM CSCC1CCC(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001591697679 1093828282 /nfs/dbraw/zinc/82/82/82/1093828282.db2.gz RILZHFPPPPRNLQ-UHFFFAOYSA-N -1 3 349.420 2.504 20 5 EFBDHM CSCC1CCC(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001591697679 1093828286 /nfs/dbraw/zinc/82/82/86/1093828286.db2.gz RILZHFPPPPRNLQ-UHFFFAOYSA-N -1 3 349.420 2.504 20 5 EFBDHM C[C@H](Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC001591770640 1093855226 /nfs/dbraw/zinc/85/52/26/1093855226.db2.gz BOTNZEVUTCMESC-QMMMGPOBSA-N -1 3 345.750 2.996 20 5 EFBDHM C[C@H](Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC001591770640 1093855231 /nfs/dbraw/zinc/85/52/31/1093855231.db2.gz BOTNZEVUTCMESC-QMMMGPOBSA-N -1 3 345.750 2.996 20 5 EFBDHM Cc1c(CNc2ncc(-c3nnn[n-]3)cc2Cl)cccc1[N+](=O)[O-] ZINC001591819257 1093870029 /nfs/dbraw/zinc/87/00/29/1093870029.db2.gz YHLGUGDDRVASAX-UHFFFAOYSA-N -1 3 345.750 2.744 20 5 EFBDHM Cc1c(CNc2ncc(-c3nn[n-]n3)cc2Cl)cccc1[N+](=O)[O-] ZINC001591819257 1093870033 /nfs/dbraw/zinc/87/00/33/1093870033.db2.gz YHLGUGDDRVASAX-UHFFFAOYSA-N -1 3 345.750 2.744 20 5 EFBDHM Cc1cc(-c2nnn[n-]2)ccc1COc1cccc([N+](=O)[O-])c1C ZINC001591867296 1093904459 /nfs/dbraw/zinc/90/44/59/1093904459.db2.gz RTMPOYCKMQNTTF-UHFFFAOYSA-N -1 3 325.328 2.971 20 5 EFBDHM Cc1cc(-c2nn[n-]n2)ccc1COc1cccc([N+](=O)[O-])c1C ZINC001591867296 1093904465 /nfs/dbraw/zinc/90/44/65/1093904465.db2.gz RTMPOYCKMQNTTF-UHFFFAOYSA-N -1 3 325.328 2.971 20 5 EFBDHM Cc1cc(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])cc(C)c1O ZINC001591969604 1093938062 /nfs/dbraw/zinc/93/80/62/1093938062.db2.gz GOPIPQNXDODRQN-UHFFFAOYSA-N -1 3 340.343 2.709 20 5 EFBDHM Cc1cc(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])cc(C)c1O ZINC001591969604 1093938063 /nfs/dbraw/zinc/93/80/63/1093938063.db2.gz GOPIPQNXDODRQN-UHFFFAOYSA-N -1 3 340.343 2.709 20 5 EFBDHM Cc1cc(F)ccc1CN(C)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001591992764 1093949963 /nfs/dbraw/zinc/94/99/63/1093949963.db2.gz VWOWFFFHNIFZAX-UHFFFAOYSA-N -1 3 342.334 2.859 20 5 EFBDHM Cc1cc(N2CCC(F)(F)[C@@H](C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592001161 1093951703 /nfs/dbraw/zinc/95/17/03/1093951703.db2.gz PYLCLNHGZKETLP-VIFPVBQESA-N -1 3 338.318 2.565 20 5 EFBDHM Cc1cc(N2CCC(F)(F)[C@@H](C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592001161 1093951706 /nfs/dbraw/zinc/95/17/06/1093951706.db2.gz PYLCLNHGZKETLP-VIFPVBQESA-N -1 3 338.318 2.565 20 5 EFBDHM Cc1cc(N2CCC(C3CC3)CC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592000259 1093951830 /nfs/dbraw/zinc/95/18/30/1093951830.db2.gz QSETXMRQNSZZEY-UHFFFAOYSA-N -1 3 328.376 2.710 20 5 EFBDHM Cc1cc(N2CCC(C3CC3)CC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592000259 1093951832 /nfs/dbraw/zinc/95/18/32/1093951832.db2.gz QSETXMRQNSZZEY-UHFFFAOYSA-N -1 3 328.376 2.710 20 5 EFBDHM Cc1cc(N2CCC(CCF)CC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592001285 1093952069 /nfs/dbraw/zinc/95/20/69/1093952069.db2.gz VUAATMDSCMMPGI-UHFFFAOYSA-N -1 3 334.355 2.659 20 5 EFBDHM Cc1cc(N2CCC(CCF)CC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592001285 1093952071 /nfs/dbraw/zinc/95/20/71/1093952071.db2.gz VUAATMDSCMMPGI-UHFFFAOYSA-N -1 3 334.355 2.659 20 5 EFBDHM Cc1cc(N2CCSC(C)(C)CC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592008242 1093952582 /nfs/dbraw/zinc/95/25/82/1093952582.db2.gz BNBVNLZSRBREIS-UHFFFAOYSA-N -1 3 348.432 2.805 20 5 EFBDHM Cc1cc(N2CCSC(C)(C)CC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592008242 1093952587 /nfs/dbraw/zinc/95/25/87/1093952587.db2.gz BNBVNLZSRBREIS-UHFFFAOYSA-N -1 3 348.432 2.805 20 5 EFBDHM Cc1cc(N2CC[C@@H](c3ccco3)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592002448 1093953286 /nfs/dbraw/zinc/95/32/86/1093953286.db2.gz VTWUMJJIIBZZMQ-LLVKDONJSA-N -1 3 340.343 2.670 20 5 EFBDHM Cc1cc(N2CC[C@@H](c3ccco3)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592002448 1093953289 /nfs/dbraw/zinc/95/32/89/1093953289.db2.gz VTWUMJJIIBZZMQ-LLVKDONJSA-N -1 3 340.343 2.670 20 5 EFBDHM Cc1cccnc1[C@@H](C)Nc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001592034788 1093962894 /nfs/dbraw/zinc/96/28/94/1093962894.db2.gz NFUGUJUBDCUADQ-LLVKDONJSA-N -1 3 339.359 2.960 20 5 EFBDHM Cc1cccnc1[C@@H](C)Nc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001592034788 1093962896 /nfs/dbraw/zinc/96/28/96/1093962896.db2.gz NFUGUJUBDCUADQ-LLVKDONJSA-N -1 3 339.359 2.960 20 5 EFBDHM Cc1cc(N[C@@H]2CCS[C@@H](C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592041155 1093963925 /nfs/dbraw/zinc/96/39/25/1093963925.db2.gz ZNUWBMXIUXYAJW-VHSXEESVSA-N -1 3 334.405 2.779 20 5 EFBDHM Cc1cc(N[C@@H]2CCS[C@@H](C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592041155 1093963930 /nfs/dbraw/zinc/96/39/30/1093963930.db2.gz ZNUWBMXIUXYAJW-VHSXEESVSA-N -1 3 334.405 2.779 20 5 EFBDHM Cc1cc(NC[C@H]2CCCC2(F)F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592044090 1093966091 /nfs/dbraw/zinc/96/60/91/1093966091.db2.gz NBYVZKVUAYZZAS-SECBINFHSA-N -1 3 338.318 2.931 20 5 EFBDHM Cc1cc(NC[C@H]2CCCC2(F)F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592044090 1093966092 /nfs/dbraw/zinc/96/60/92/1093966092.db2.gz NBYVZKVUAYZZAS-SECBINFHSA-N -1 3 338.318 2.931 20 5 EFBDHM Cc1cc(NCc2ccc(F)c(F)c2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592052514 1093967082 /nfs/dbraw/zinc/96/70/82/1093967082.db2.gz OTGSLSIPZKAIDX-UHFFFAOYSA-N -1 3 346.297 2.974 20 5 EFBDHM Cc1cc(NCc2ccc(F)c(F)c2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592052514 1093967086 /nfs/dbraw/zinc/96/70/86/1093967086.db2.gz OTGSLSIPZKAIDX-UHFFFAOYSA-N -1 3 346.297 2.974 20 5 EFBDHM Cc1cc(NCc2ccccc2F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592052896 1093968136 /nfs/dbraw/zinc/96/81/36/1093968136.db2.gz BGXPUXXZUYTVCL-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM Cc1cc(NCc2ccccc2F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592052896 1093968141 /nfs/dbraw/zinc/96/81/41/1093968141.db2.gz BGXPUXXZUYTVCL-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM Cc1ccc(COc2ccc([N+](=O)[O-])cc2F)cc1-c1nnn[n-]1 ZINC001592171056 1094013860 /nfs/dbraw/zinc/01/38/60/1094013860.db2.gz SDXGHOBNSLZVKG-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1ccc(COc2ccc([N+](=O)[O-])cc2F)cc1-c1nn[n-]n1 ZINC001592171056 1094013867 /nfs/dbraw/zinc/01/38/67/1094013867.db2.gz SDXGHOBNSLZVKG-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1ccc(F)c(CCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC001592173916 1094015932 /nfs/dbraw/zinc/01/59/32/1094015932.db2.gz VUCCUVGPCVOZQF-UHFFFAOYSA-N -1 3 342.334 2.877 20 5 EFBDHM Cc1ccc(F)c(CCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC001592173916 1094015939 /nfs/dbraw/zinc/01/59/39/1094015939.db2.gz VUCCUVGPCVOZQF-UHFFFAOYSA-N -1 3 342.334 2.877 20 5 EFBDHM Cc1ccc2c(c1)CC[C@@H]2Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001592201506 1094029004 /nfs/dbraw/zinc/02/90/04/1094029004.db2.gz VPVYJJUIJFKMNC-AWEZNQCLSA-N -1 3 337.343 2.578 20 5 EFBDHM Cc1ccc2c(c1)CC[C@@H]2Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001592201506 1094029007 /nfs/dbraw/zinc/02/90/07/1094029007.db2.gz VPVYJJUIJFKMNC-AWEZNQCLSA-N -1 3 337.343 2.578 20 5 EFBDHM Cc1cccc(CSc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)c1 ZINC001592231821 1094040365 /nfs/dbraw/zinc/04/03/65/1094040365.db2.gz MAKQOPJQIFJRKX-UHFFFAOYSA-N -1 3 342.384 2.958 20 5 EFBDHM Cc1cccc(CSc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)c1 ZINC001592231821 1094040371 /nfs/dbraw/zinc/04/03/71/1094040371.db2.gz MAKQOPJQIFJRKX-UHFFFAOYSA-N -1 3 342.384 2.958 20 5 EFBDHM Cc1cccc(F)c1CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001592232926 1094042946 /nfs/dbraw/zinc/04/29/46/1094042946.db2.gz UOYFUJQRBIVTIA-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM Cc1cccc(F)c1CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001592232926 1094042952 /nfs/dbraw/zinc/04/29/52/1094042952.db2.gz UOYFUJQRBIVTIA-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM Cc1ccccc1OCCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001592260115 1094057134 /nfs/dbraw/zinc/05/71/34/1094057134.db2.gz IMNUGOGPIVHYSR-UHFFFAOYSA-N -1 3 340.343 2.574 20 5 EFBDHM Cc1ccccc1OCCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001592260115 1094057139 /nfs/dbraw/zinc/05/71/39/1094057139.db2.gz IMNUGOGPIVHYSR-UHFFFAOYSA-N -1 3 340.343 2.574 20 5 EFBDHM Cc1cnc([C@H](C)Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)s1 ZINC001592293019 1094068259 /nfs/dbraw/zinc/06/82/59/1094068259.db2.gz URPXHHQLNJVJSL-QMMMGPOBSA-N -1 3 331.361 2.713 20 5 EFBDHM Cc1cnccc1SCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592301520 1094070626 /nfs/dbraw/zinc/07/06/26/1094070626.db2.gz BWEVKKWMTNOBKN-UHFFFAOYSA-N -1 3 328.357 2.771 20 5 EFBDHM Cc1cnccc1SCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592301520 1094070634 /nfs/dbraw/zinc/07/06/34/1094070634.db2.gz BWEVKKWMTNOBKN-UHFFFAOYSA-N -1 3 328.357 2.771 20 5 EFBDHM Cc1ncc([N+](=O)[O-])c(OCc2cc(F)ccc2-c2nnn[n-]2)c1C ZINC001592412028 1094102160 /nfs/dbraw/zinc/10/21/60/1094102160.db2.gz APQXCNPVBYFEMN-UHFFFAOYSA-N -1 3 344.306 2.505 20 5 EFBDHM Cc1ncc([N+](=O)[O-])c(OCc2cc(F)ccc2-c2nn[n-]n2)c1C ZINC001592412028 1094102163 /nfs/dbraw/zinc/10/21/63/1094102163.db2.gz APQXCNPVBYFEMN-UHFFFAOYSA-N -1 3 344.306 2.505 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(N[C@H]2C[C@H]2C2CCCCC2)c1-c1nnn[n-]1 ZINC001592757249 1094184750 /nfs/dbraw/zinc/18/47/50/1094184750.db2.gz IURHXTJCOJBDNU-JQWIXIFHSA-N -1 3 343.391 2.738 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(N[C@H]2C[C@H]2C2CCCCC2)c1-c1nn[n-]n1 ZINC001592757249 1094184754 /nfs/dbraw/zinc/18/47/54/1094184754.db2.gz IURHXTJCOJBDNU-JQWIXIFHSA-N -1 3 343.391 2.738 20 5 EFBDHM Nc1ccc(OCc2ccc(Cl)cc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592760935 1094185775 /nfs/dbraw/zinc/18/57/75/1094185775.db2.gz YVJBTNNCEXDJJS-UHFFFAOYSA-N -1 3 346.734 2.590 20 5 EFBDHM Nc1ccc(OCc2ccc(Cl)cc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592760935 1094185779 /nfs/dbraw/zinc/18/57/79/1094185779.db2.gz YVJBTNNCEXDJJS-UHFFFAOYSA-N -1 3 346.734 2.590 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1CSC1(CO)CCCCC1 ZINC001593468908 1094311583 /nfs/dbraw/zinc/31/15/83/1094311583.db2.gz VPSCBNAZTUPJJW-UHFFFAOYSA-N -1 3 349.416 2.703 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1CSC1(CO)CCCCC1 ZINC001593468908 1094311589 /nfs/dbraw/zinc/31/15/89/1094311589.db2.gz VPSCBNAZTUPJJW-UHFFFAOYSA-N -1 3 349.416 2.703 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC2CC1(c1ccccc1)C2 ZINC001593468922 1094312073 /nfs/dbraw/zinc/31/20/73/1094312073.db2.gz WFUNLJGVSADVMC-UHFFFAOYSA-N -1 3 348.366 2.900 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC2CC1(c1ccccc1)C2 ZINC001593468922 1094312082 /nfs/dbraw/zinc/31/20/82/1094312082.db2.gz WFUNLJGVSADVMC-UHFFFAOYSA-N -1 3 348.366 2.900 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NCC12CCC(CC1)C2 ZINC001593469276 1094312384 /nfs/dbraw/zinc/31/23/84/1094312384.db2.gz WWAYPFWJQDGPII-UHFFFAOYSA-N -1 3 332.339 2.906 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NCC12CCC(CC1)C2 ZINC001593469276 1094312388 /nfs/dbraw/zinc/31/23/88/1094312388.db2.gz WWAYPFWJQDGPII-UHFFFAOYSA-N -1 3 332.339 2.906 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@@H]1CC12CCSCC2 ZINC001593470827 1094313673 /nfs/dbraw/zinc/31/36/73/1094313673.db2.gz NCVBUTNOOWKSJW-NSHDSACASA-N -1 3 346.416 2.720 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@@H]1CC12CCSCC2 ZINC001593470827 1094313684 /nfs/dbraw/zinc/31/36/84/1094313684.db2.gz NCVBUTNOOWKSJW-NSHDSACASA-N -1 3 346.416 2.720 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1CC[C@@H]2CCCC[C@H]2C1 ZINC001593469459 1094313739 /nfs/dbraw/zinc/31/37/39/1094313739.db2.gz RLZIDWRKQBRSMA-QWRGUYRKSA-N -1 3 346.366 2.931 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1CC[C@@H]2CCCC[C@H]2C1 ZINC001593469459 1094313746 /nfs/dbraw/zinc/31/37/46/1094313746.db2.gz RLZIDWRKQBRSMA-QWRGUYRKSA-N -1 3 346.366 2.931 20 5 EFBDHM O=[N+]([O-])c1cc(N2CCS[C@H]3CCCC[C@@H]32)ccc1-c1nnn[n-]1 ZINC001593470599 1094314012 /nfs/dbraw/zinc/31/40/12/1094314012.db2.gz GDYBVRLGHRNVOW-JSGCOSHPSA-N -1 3 346.416 2.639 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Oc1cccc2c1OCC2 ZINC001593469775 1094314112 /nfs/dbraw/zinc/31/41/12/1094314112.db2.gz GNHFIRDYIORPSX-UHFFFAOYSA-N -1 3 325.284 2.502 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Oc1cccc2c1OCC2 ZINC001593469775 1094314124 /nfs/dbraw/zinc/31/41/24/1094314124.db2.gz GNHFIRDYIORPSX-UHFFFAOYSA-N -1 3 325.284 2.502 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@H]1CC12CCSCC2 ZINC001593470826 1094315736 /nfs/dbraw/zinc/31/57/36/1094315736.db2.gz NCVBUTNOOWKSJW-LLVKDONJSA-N -1 3 346.416 2.720 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@H]1CC12CCSCC2 ZINC001593470826 1094315746 /nfs/dbraw/zinc/31/57/46/1094315746.db2.gz NCVBUTNOOWKSJW-LLVKDONJSA-N -1 3 346.416 2.720 20 5 EFBDHM O=[N+]([O-])c1cc2c(ncnc2Oc2ccc(-c3nn[n-]n3)cc2)s1 ZINC001593473621 1094317978 /nfs/dbraw/zinc/31/79/78/1094317978.db2.gz BNHMVBRMSYIRDL-UHFFFAOYSA-N -1 3 341.312 2.572 20 5 EFBDHM O=[N+]([O-])c1cc(N[C@@H](c2cccnc2)C2CC2)ccc1-c1nnn[n-]1 ZINC001593474069 1094318023 /nfs/dbraw/zinc/31/80/23/1094318023.db2.gz OQSFLMOSNVPOIJ-OAHLLOKOSA-N -1 3 337.343 2.733 20 5 EFBDHM O=[N+]([O-])c1cc(NCC[C@H]2CCC3(CCC3)O2)ccc1-c1nnn[n-]1 ZINC001593474544 1094318144 /nfs/dbraw/zinc/31/81/44/1094318144.db2.gz SGRKHSJDCBLHMC-GFCCVEGCSA-N -1 3 344.375 2.679 20 5 EFBDHM O=[N+]([O-])c1cc(N[C@H]2CCOC3(CCCC3)C2)ccc1-c1nnn[n-]1 ZINC001593474522 1094318283 /nfs/dbraw/zinc/31/82/83/1094318283.db2.gz RLLVXLGTRFRGIB-LBPRGKRZSA-N -1 3 344.375 2.679 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N[C@H]1C[C@@]1(F)c1ccccc1 ZINC001593474425 1094318434 /nfs/dbraw/zinc/31/84/34/1094318434.db2.gz IWHYMRIPZMUUKV-GOEBONIOSA-N -1 3 340.318 2.824 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N[C@H]1C[C@@]1(F)c1ccccc1 ZINC001593474425 1094318441 /nfs/dbraw/zinc/31/84/41/1094318441.db2.gz IWHYMRIPZMUUKV-GOEBONIOSA-N -1 3 340.318 2.824 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N[C@H]1CCc2c1cccc2O ZINC001593474104 1094318456 /nfs/dbraw/zinc/31/84/56/1094318456.db2.gz FAQJERSHQKQEAD-LBPRGKRZSA-N -1 3 338.327 2.580 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N[C@H]1CCc2c1cccc2O ZINC001593474104 1094318462 /nfs/dbraw/zinc/31/84/62/1094318462.db2.gz FAQJERSHQKQEAD-LBPRGKRZSA-N -1 3 338.327 2.580 20 5 EFBDHM O=[N+]([O-])c1cc(NCCc2cc(F)ccc2F)ccc1-c1nnn[n-]1 ZINC001593473393 1094318802 /nfs/dbraw/zinc/31/88/02/1094318802.db2.gz ANQPGDQMEGTEQB-UHFFFAOYSA-N -1 3 346.297 2.708 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N[C@@H]1CCc2ccccc2C1 ZINC001593475571 1094319639 /nfs/dbraw/zinc/31/96/39/1094319639.db2.gz QUIRZTVDOQVUBG-CQSZACIVSA-N -1 3 336.355 2.744 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N[C@@H]1CCc2ccccc2C1 ZINC001593475571 1094319645 /nfs/dbraw/zinc/31/96/45/1094319645.db2.gz QUIRZTVDOQVUBG-CQSZACIVSA-N -1 3 336.355 2.744 20 5 EFBDHM O=[N+]([O-])c1cc(NCCC[C@@H]2CCCCO2)ccc1-c1nnn[n-]1 ZINC001593474955 1094320759 /nfs/dbraw/zinc/32/07/59/1094320759.db2.gz WDMHIZHBNYURON-LBPRGKRZSA-N -1 3 332.364 2.536 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N[C@H](C1CC1)[C@@H]1CCCCO1 ZINC001593479889 1094322825 /nfs/dbraw/zinc/32/28/25/1094322825.db2.gz BOFAJGQVBUMZJX-UONOGXRCSA-N -1 3 344.375 2.535 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N[C@H](C1CC1)[C@@H]1CCCCO1 ZINC001593479889 1094322835 /nfs/dbraw/zinc/32/28/35/1094322835.db2.gz BOFAJGQVBUMZJX-UONOGXRCSA-N -1 3 344.375 2.535 20 5 EFBDHM O=[N+]([O-])c1ccc(NC[C@@H]2CC23CCSCC3)c(-c2nnn[n-]2)c1 ZINC001593478199 1094323072 /nfs/dbraw/zinc/32/30/72/1094323072.db2.gz RATZICKCVQUVLQ-JTQLQIEISA-N -1 3 346.416 2.720 20 5 EFBDHM O=[N+]([O-])c1ccc(NC[C@@H]2CC23CCSCC3)c(-c2nn[n-]n2)c1 ZINC001593478199 1094323080 /nfs/dbraw/zinc/32/30/80/1094323080.db2.gz RATZICKCVQUVLQ-JTQLQIEISA-N -1 3 346.416 2.720 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1Cc2cccc(Cl)c2C1 ZINC001593479874 1094323443 /nfs/dbraw/zinc/32/34/43/1094323443.db2.gz BDRFZCCQLZRCNB-UHFFFAOYSA-N -1 3 342.746 2.949 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1Cc2cccc(Cl)c2C1 ZINC001593479874 1094323450 /nfs/dbraw/zinc/32/34/50/1094323450.db2.gz BDRFZCCQLZRCNB-UHFFFAOYSA-N -1 3 342.746 2.949 20 5 EFBDHM O=[N+]([O-])c1ccc(NCc2ccc(F)cc2F)c(-c2nnn[n-]2)c1 ZINC001593479164 1094324192 /nfs/dbraw/zinc/32/41/92/1094324192.db2.gz XKPFNMCRINIBCO-UHFFFAOYSA-N -1 3 332.270 2.665 20 5 EFBDHM O=[N+]([O-])c1ccc(NCc2ccc(F)cc2F)c(-c2nn[n-]n2)c1 ZINC001593479164 1094324201 /nfs/dbraw/zinc/32/42/01/1094324201.db2.gz XKPFNMCRINIBCO-UHFFFAOYSA-N -1 3 332.270 2.665 20 5 EFBDHM O=[N+]([O-])c1ccc(N2Cc3cccc(-c4nnn[n-]4)c3C2)c(Cl)c1 ZINC001593478229 1094324278 /nfs/dbraw/zinc/32/42/78/1094324278.db2.gz FPYBMIGJKYAPPD-UHFFFAOYSA-N -1 3 342.746 2.949 20 5 EFBDHM O=[N+]([O-])c1ccc(N2Cc3cccc(-c4nn[n-]n4)c3C2)c(Cl)c1 ZINC001593478229 1094324284 /nfs/dbraw/zinc/32/42/84/1094324284.db2.gz FPYBMIGJKYAPPD-UHFFFAOYSA-N -1 3 342.746 2.949 20 5 EFBDHM O=[N+]([O-])c1cccc(F)c1OCc1cc(F)ccc1-c1nnn[n-]1 ZINC001593483972 1094325409 /nfs/dbraw/zinc/32/54/09/1094325409.db2.gz MYYUVDNNZLRTFF-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1cccc(F)c1OCc1cc(F)ccc1-c1nn[n-]n1 ZINC001593483972 1094325421 /nfs/dbraw/zinc/32/54/21/1094325421.db2.gz MYYUVDNNZLRTFF-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1cccc(OCc2cn3ccccc3c2-c2nnn[n-]2)c1 ZINC001593483724 1094326043 /nfs/dbraw/zinc/32/60/43/1094326043.db2.gz FJRZJYGFGBCZAG-UHFFFAOYSA-N -1 3 336.311 2.607 20 5 EFBDHM O=[N+]([O-])c1cccc(OCc2cn3ccccc3c2-c2nn[n-]n2)c1 ZINC001593483724 1094326053 /nfs/dbraw/zinc/32/60/53/1094326053.db2.gz FJRZJYGFGBCZAG-UHFFFAOYSA-N -1 3 336.311 2.607 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1COc1cccc(F)c1F ZINC001593480517 1094327020 /nfs/dbraw/zinc/32/70/20/1094327020.db2.gz BBJZNDBZZKTWEX-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1COc1cccc(F)c1F ZINC001593480517 1094327026 /nfs/dbraw/zinc/32/70/26/1094327026.db2.gz BBJZNDBZZKTWEX-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1ccc(OCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001593481320 1094327736 /nfs/dbraw/zinc/32/77/36/1094327736.db2.gz GICUPFQCKRZVJS-UHFFFAOYSA-N -1 3 341.327 2.623 20 5 EFBDHM O=[N+]([O-])c1ccc(OCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001593481320 1094327744 /nfs/dbraw/zinc/32/77/44/1094327744.db2.gz GICUPFQCKRZVJS-UHFFFAOYSA-N -1 3 341.327 2.623 20 5 EFBDHM O=[N+]([O-])c1cccc2ncnc(Oc3ccc(-c4nn[n-]n4)cc3)c21 ZINC001593485962 1094328689 /nfs/dbraw/zinc/32/86/89/1094328689.db2.gz XJELPOVNVRTKDL-UHFFFAOYSA-N -1 3 335.283 2.510 20 5 EFBDHM O=[N+]([O-])c1ncccc1N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001593487919 1094328867 /nfs/dbraw/zinc/32/88/67/1094328867.db2.gz OCDZUQOHFOUMLP-CYBMUJFWSA-N -1 3 337.343 2.659 20 5 EFBDHM O=[N+]([O-])c1ncccc1N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001593487919 1094328874 /nfs/dbraw/zinc/32/88/74/1094328874.db2.gz OCDZUQOHFOUMLP-CYBMUJFWSA-N -1 3 337.343 2.659 20 5 EFBDHM O=[N+]([O-])c1cnc(N2CCC[C@H](C3CCCC3)C2)c(-c2nnn[n-]2)c1 ZINC001593485400 1094328997 /nfs/dbraw/zinc/32/89/97/1094328997.db2.gz AZJJCHFOWVVMFL-LBPRGKRZSA-N -1 3 343.391 2.577 20 5 EFBDHM O=[N+]([O-])c1cnc(N2CCC[C@H](C3CCCC3)C2)c(-c2nn[n-]n2)c1 ZINC001593485400 1094329005 /nfs/dbraw/zinc/32/90/05/1094329005.db2.gz AZJJCHFOWVVMFL-LBPRGKRZSA-N -1 3 343.391 2.577 20 5 EFBDHM O=C([O-])COc1ccc(CN2CCC[C@@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC001602082377 1096050984 /nfs/dbraw/zinc/05/09/84/1096050984.db2.gz QZAXABXAMGWDRD-KBPBESRZSA-N -1 3 334.372 2.823 20 5 EFBDHM O=C([O-])[C@H]1C[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC001602218291 1096122641 /nfs/dbraw/zinc/12/26/41/1096122641.db2.gz DFMSPNJGYUVNPW-PHIMTYICSA-N -1 3 333.369 2.671 20 5 EFBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CC[C@@H](Cc3ccncc3)C2)c1 ZINC001602405516 1096225188 /nfs/dbraw/zinc/22/51/88/1096225188.db2.gz VSNMWGAXYIDXQM-AWEZNQCLSA-N -1 3 341.367 2.753 20 5 EFBDHM O=C([O-])c1cnc(CCNCc2cc(Cl)ccc2[N+](=O)[O-])s1 ZINC001602517291 1096278211 /nfs/dbraw/zinc/27/82/11/1096278211.db2.gz JWHHIBUANZFBQP-UHFFFAOYSA-N -1 3 341.776 2.735 20 5 EFBDHM CC(=O)Nc1ccc(Oc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])cc1 ZINC001602953182 1096406263 /nfs/dbraw/zinc/40/62/63/1096406263.db2.gz XNTORCBGCKTABZ-UHFFFAOYSA-N -1 3 340.299 2.526 20 5 EFBDHM CC(=O)Nc1ccc(Oc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])cc1 ZINC001602953182 1096406264 /nfs/dbraw/zinc/40/62/64/1096406264.db2.gz XNTORCBGCKTABZ-UHFFFAOYSA-N -1 3 340.299 2.526 20 5 EFBDHM CC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC001602966730 1096409449 /nfs/dbraw/zinc/40/94/49/1096409449.db2.gz KDLJHUCJQGDUSP-UHFFFAOYSA-N -1 3 338.327 2.590 20 5 EFBDHM CC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC001602966730 1096409453 /nfs/dbraw/zinc/40/94/53/1096409453.db2.gz KDLJHUCJQGDUSP-UHFFFAOYSA-N -1 3 338.327 2.590 20 5 EFBDHM CC(C)[C@@H]1C[C@H](CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC001603241247 1096482485 /nfs/dbraw/zinc/48/24/85/1096482485.db2.gz NVMFWFHITVQTNQ-ABAIWWIYSA-N -1 3 346.391 2.638 20 5 EFBDHM CC(C)[C@@H]1C[C@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO1 ZINC001603241247 1096482493 /nfs/dbraw/zinc/48/24/93/1096482493.db2.gz NVMFWFHITVQTNQ-ABAIWWIYSA-N -1 3 346.391 2.638 20 5 EFBDHM CC(C)CCn1ccc(Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)n1 ZINC001603284731 1096495852 /nfs/dbraw/zinc/49/58/52/1096495852.db2.gz NBIZUJLDOSZCCA-UHFFFAOYSA-N -1 3 342.363 2.761 20 5 EFBDHM C[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC001603561049 1096552510 /nfs/dbraw/zinc/55/25/10/1096552510.db2.gz AIKBPZYYGBSTAJ-SECBINFHSA-N -1 3 343.322 2.525 20 5 EFBDHM C[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001603561049 1096552519 /nfs/dbraw/zinc/55/25/19/1096552519.db2.gz AIKBPZYYGBSTAJ-SECBINFHSA-N -1 3 343.322 2.525 20 5 EFBDHM CC1(C)CCC[C@H]1C(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603774595 1096623728 /nfs/dbraw/zinc/62/37/28/1096623728.db2.gz XGMMQEYEDCSBMG-LBPRGKRZSA-N -1 3 345.359 2.644 20 5 EFBDHM CC1(C)CCC[C@H]1C(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603774595 1096623730 /nfs/dbraw/zinc/62/37/30/1096623730.db2.gz XGMMQEYEDCSBMG-LBPRGKRZSA-N -1 3 345.359 2.644 20 5 EFBDHM C[C@@H]1CC[C@H](CC(=O)OCc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001603876803 1096652169 /nfs/dbraw/zinc/65/21/69/1096652169.db2.gz PMGCAAFJGIJYTR-MNOVXSKESA-N -1 3 345.359 2.644 20 5 EFBDHM C[C@@H]1CC[C@H](CC(=O)OCc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001603876803 1096652173 /nfs/dbraw/zinc/65/21/73/1096652173.db2.gz PMGCAAFJGIJYTR-MNOVXSKESA-N -1 3 345.359 2.644 20 5 EFBDHM C[C@H]1CC/C(=C/C(=O)OCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001603874514 1096652553 /nfs/dbraw/zinc/65/25/53/1096652553.db2.gz XPCFOPLOODVGHN-DFYQSJSGSA-N -1 3 343.343 2.565 20 5 EFBDHM C[C@H]1CC/C(=C/C(=O)OCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001603874514 1096652558 /nfs/dbraw/zinc/65/25/58/1096652558.db2.gz XPCFOPLOODVGHN-DFYQSJSGSA-N -1 3 343.343 2.565 20 5 EFBDHM C[C@@H]1CC[C@@H](CC(=O)OCc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001603876802 1096652826 /nfs/dbraw/zinc/65/28/26/1096652826.db2.gz PMGCAAFJGIJYTR-GHMZBOCLSA-N -1 3 345.359 2.644 20 5 EFBDHM C[C@@H]1CC[C@@H](CC(=O)OCc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001603876802 1096652845 /nfs/dbraw/zinc/65/28/45/1096652845.db2.gz PMGCAAFJGIJYTR-GHMZBOCLSA-N -1 3 345.359 2.644 20 5 EFBDHM C[C@H]1CCC[C@H](C(=O)OCc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001603884604 1096657460 /nfs/dbraw/zinc/65/74/60/1096657460.db2.gz QLOLOTDRMJWNII-JQWIXIFHSA-N -1 3 345.359 2.644 20 5 EFBDHM C[C@H]1CCC[C@H](C(=O)OCc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001603884604 1096657465 /nfs/dbraw/zinc/65/74/65/1096657465.db2.gz QLOLOTDRMJWNII-JQWIXIFHSA-N -1 3 345.359 2.644 20 5 EFBDHM C[C@H]1CCC[C@H](CNc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001603888610 1096659334 /nfs/dbraw/zinc/65/93/34/1096659334.db2.gz XRRYVIHZVCEUOX-UWVGGRQHSA-N -1 3 331.380 2.595 20 5 EFBDHM C[C@H]1CCC[C@H](CNc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001603888610 1096659338 /nfs/dbraw/zinc/65/93/38/1096659338.db2.gz XRRYVIHZVCEUOX-UWVGGRQHSA-N -1 3 331.380 2.595 20 5 EFBDHM C[C@@H]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)[C@@H]1C ZINC001603888726 1096659921 /nfs/dbraw/zinc/65/99/21/1096659921.db2.gz ZVNVLBPLXCQXKY-MXWKQRLJSA-N -1 3 345.407 2.841 20 5 EFBDHM C[C@@H]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)[C@@H]1C ZINC001603888726 1096659924 /nfs/dbraw/zinc/65/99/24/1096659924.db2.gz ZVNVLBPLXCQXKY-MXWKQRLJSA-N -1 3 345.407 2.841 20 5 EFBDHM C[C@H]1CN(Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c2ccccc21 ZINC001603935901 1096674189 /nfs/dbraw/zinc/67/41/89/1096674189.db2.gz GZIPFALOJTUBNQ-NSHDSACASA-N -1 3 336.355 2.899 20 5 EFBDHM C[C@H]1CN(Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c2ccccc21 ZINC001603935901 1096674193 /nfs/dbraw/zinc/67/41/93/1096674193.db2.gz GZIPFALOJTUBNQ-NSHDSACASA-N -1 3 336.355 2.899 20 5 EFBDHM CCC(CC)(CC)CNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001604018236 1096699253 /nfs/dbraw/zinc/69/92/53/1096699253.db2.gz VGCCGQWQHNJOBD-UHFFFAOYSA-N -1 3 333.396 2.985 20 5 EFBDHM CCC(CC)(CC)CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001604018236 1096699259 /nfs/dbraw/zinc/69/92/59/1096699259.db2.gz VGCCGQWQHNJOBD-UHFFFAOYSA-N -1 3 333.396 2.985 20 5 EFBDHM CCC(CC)CCCN(C)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001604025568 1096702678 /nfs/dbraw/zinc/70/26/78/1096702678.db2.gz SBRTXVDGBGTSSF-UHFFFAOYSA-N -1 3 333.396 2.823 20 5 EFBDHM CCC(CC)CCCN(C)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001604025568 1096702686 /nfs/dbraw/zinc/70/26/86/1096702686.db2.gz SBRTXVDGBGTSSF-UHFFFAOYSA-N -1 3 333.396 2.823 20 5 EFBDHM C[C@H](CN(Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)C1CC1)C(=O)[O-] ZINC001604165724 1096758479 /nfs/dbraw/zinc/75/84/79/1096758479.db2.gz MIUUMLUEFFFWFR-GFCCVEGCSA-N -1 3 344.371 2.601 20 5 EFBDHM CCCc1nc(C)c(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])o1 ZINC001604246927 1096785043 /nfs/dbraw/zinc/78/50/43/1096785043.db2.gz TWCDDRCOIQXEHJ-UHFFFAOYSA-N -1 3 343.347 2.636 20 5 EFBDHM CCCc1nc(C)c(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])o1 ZINC001604246927 1096785050 /nfs/dbraw/zinc/78/50/50/1096785050.db2.gz TWCDDRCOIQXEHJ-UHFFFAOYSA-N -1 3 343.347 2.636 20 5 EFBDHM C[C@H](N[C@@H](CC(=O)[O-])C1CC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001604322201 1096809238 /nfs/dbraw/zinc/80/92/38/1096809238.db2.gz JOLXABIVNWHXGQ-ZANVPECISA-N -1 3 346.343 2.549 20 5 EFBDHM CN(CCc1cccc(-c2nnn[n-]2)c1)c1ccsc1[N+](=O)[O-] ZINC001604792254 1096957450 /nfs/dbraw/zinc/95/74/50/1096957450.db2.gz YRCODYRTDOXBFO-UHFFFAOYSA-N -1 3 330.373 2.515 20 5 EFBDHM CN(CCc1cccc(-c2nn[n-]n2)c1)c1ccsc1[N+](=O)[O-] ZINC001604792254 1096957454 /nfs/dbraw/zinc/95/74/54/1096957454.db2.gz YRCODYRTDOXBFO-UHFFFAOYSA-N -1 3 330.373 2.515 20 5 EFBDHM CN(Cc1ccc(-c2nnn[n-]2)c(F)c1)Cc1ccccc1[N+](=O)[O-] ZINC001604804712 1096961515 /nfs/dbraw/zinc/96/15/15/1096961515.db2.gz WIVALJRNYUFPQY-UHFFFAOYSA-N -1 3 342.334 2.546 20 5 EFBDHM CN(Cc1ccc(-c2nn[n-]n2)c(F)c1)Cc1ccccc1[N+](=O)[O-] ZINC001604804712 1096961522 /nfs/dbraw/zinc/96/15/22/1096961522.db2.gz WIVALJRNYUFPQY-UHFFFAOYSA-N -1 3 342.334 2.546 20 5 EFBDHM CN(Cc1ccc2cc[nH]c2c1)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001604810638 1096961857 /nfs/dbraw/zinc/96/18/57/1096961857.db2.gz UMQUGTITOVQJOF-UHFFFAOYSA-N -1 3 349.354 2.893 20 5 EFBDHM CN(Cc1ccc2cc[nH]c2c1)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001604810638 1096961866 /nfs/dbraw/zinc/96/18/66/1096961866.db2.gz UMQUGTITOVQJOF-UHFFFAOYSA-N -1 3 349.354 2.893 20 5 EFBDHM CO[C@@H](CNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1)C1CCCC1 ZINC001605008118 1096997948 /nfs/dbraw/zinc/99/79/48/1096997948.db2.gz FXFRNGBPMDWLKE-HNNXBMFYSA-N -1 3 346.391 2.700 20 5 EFBDHM CO[C@@H](CNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1)C1CCCC1 ZINC001605008118 1096997951 /nfs/dbraw/zinc/99/79/51/1096997951.db2.gz FXFRNGBPMDWLKE-HNNXBMFYSA-N -1 3 346.391 2.700 20 5 EFBDHM COc1ccc(C)cc1CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001605264659 1097072732 /nfs/dbraw/zinc/07/27/32/1097072732.db2.gz PIEWBCAKKIQAAK-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM COc1ccc(C)cc1CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001605264659 1097072739 /nfs/dbraw/zinc/07/27/39/1097072739.db2.gz PIEWBCAKKIQAAK-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM COc1ccc(Sc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC001605306063 1097089267 /nfs/dbraw/zinc/08/92/67/1097089267.db2.gz KVBARAXTRFSODO-UHFFFAOYSA-N -1 3 329.341 2.935 20 5 EFBDHM COc1ccc(Sc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC001605306063 1097089274 /nfs/dbraw/zinc/08/92/74/1097089274.db2.gz KVBARAXTRFSODO-UHFFFAOYSA-N -1 3 329.341 2.935 20 5 EFBDHM COc1cccc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1C ZINC001605317692 1097093133 /nfs/dbraw/zinc/09/31/33/1097093133.db2.gz AWUZJZQRAOHNBR-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM COc1cccc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1C ZINC001605317692 1097093137 /nfs/dbraw/zinc/09/31/37/1097093137.db2.gz AWUZJZQRAOHNBR-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM CSc1ccc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC001605387113 1097112980 /nfs/dbraw/zinc/11/29/80/1097112980.db2.gz ASZGTDUDPJIJLH-UHFFFAOYSA-N -1 3 343.372 2.504 20 5 EFBDHM CSc1ccc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC001605387113 1097112982 /nfs/dbraw/zinc/11/29/82/1097112982.db2.gz ASZGTDUDPJIJLH-UHFFFAOYSA-N -1 3 343.372 2.504 20 5 EFBDHM CSc1ccc(CNc2cccnc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001605387861 1097113402 /nfs/dbraw/zinc/11/34/02/1097113402.db2.gz UAPRGVGWFRYDNX-UHFFFAOYSA-N -1 3 343.372 2.504 20 5 EFBDHM CSc1ccc(CNc2cccnc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001605387861 1097113405 /nfs/dbraw/zinc/11/34/05/1097113405.db2.gz UAPRGVGWFRYDNX-UHFFFAOYSA-N -1 3 343.372 2.504 20 5 EFBDHM C[C@@H]1c2ccccc2CN1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001605431780 1097123968 /nfs/dbraw/zinc/12/39/68/1097123968.db2.gz HABYLKQYJQZJBU-LLVKDONJSA-N -1 3 336.355 2.852 20 5 EFBDHM C[C@@H]1c2ccccc2CN1Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001605431780 1097123969 /nfs/dbraw/zinc/12/39/69/1097123969.db2.gz HABYLKQYJQZJBU-LLVKDONJSA-N -1 3 336.355 2.852 20 5 EFBDHM CCOc1cc(CN[C@@H](C(=O)[O-])c2ccccc2)ccc1[N+](=O)[O-] ZINC001605671494 1097189172 /nfs/dbraw/zinc/18/91/72/1097189172.db2.gz TVRNACBCVOJGCL-MRXNPFEDSA-N -1 3 330.340 2.909 20 5 EFBDHM Cc1cc(F)c(-c2nnn[n-]2)cc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC001605677691 1097192122 /nfs/dbraw/zinc/19/21/22/1097192122.db2.gz KTGRDJNMJFIFKL-UHFFFAOYSA-N -1 3 348.319 2.536 20 5 EFBDHM Cc1cc(F)c(-c2nn[n-]n2)cc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC001605677691 1097192125 /nfs/dbraw/zinc/19/21/25/1097192125.db2.gz KTGRDJNMJFIFKL-UHFFFAOYSA-N -1 3 348.319 2.536 20 5 EFBDHM Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1sccc1-c1nnn[n-]1 ZINC001605679115 1097192720 /nfs/dbraw/zinc/19/27/20/1097192720.db2.gz QVFDDTJXORLVBO-UHFFFAOYSA-N -1 3 348.319 2.536 20 5 EFBDHM Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1sccc1-c1nn[n-]n1 ZINC001605679115 1097192722 /nfs/dbraw/zinc/19/27/22/1097192722.db2.gz QVFDDTJXORLVBO-UHFFFAOYSA-N -1 3 348.319 2.536 20 5 EFBDHM Cc1cc(N2CCC[C@H](C(C)C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605695463 1097197170 /nfs/dbraw/zinc/19/71/70/1097197170.db2.gz PXHRBUFMWJWWAS-LBPRGKRZSA-N -1 3 330.392 2.956 20 5 EFBDHM Cc1cc(N2CCC[C@H](C(C)C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605695463 1097197172 /nfs/dbraw/zinc/19/71/72/1097197172.db2.gz PXHRBUFMWJWWAS-LBPRGKRZSA-N -1 3 330.392 2.956 20 5 EFBDHM Cc1cc(NCC[C@H]2CCO[C@H](C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605731258 1097209473 /nfs/dbraw/zinc/20/94/73/1097209473.db2.gz UJRBCVKTJCPNEU-NEPJUHHUSA-N -1 3 346.391 2.700 20 5 EFBDHM Cc1cc(NCC[C@H]2CCO[C@H](C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605731258 1097209476 /nfs/dbraw/zinc/20/94/76/1097209476.db2.gz UJRBCVKTJCPNEU-NEPJUHHUSA-N -1 3 346.391 2.700 20 5 EFBDHM Cc1cc(N[C@@H](C)c2ccc([N+](=O)[O-])cc2)ncc1-c1nnn[n-]1 ZINC001605739273 1097211449 /nfs/dbraw/zinc/21/14/49/1097211449.db2.gz TWTXCZMWRDWUQK-JTQLQIEISA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1cc(N[C@@H](C)c2ccc([N+](=O)[O-])cc2)ncc1-c1nn[n-]n1 ZINC001605739273 1097211454 /nfs/dbraw/zinc/21/14/54/1097211454.db2.gz TWTXCZMWRDWUQK-JTQLQIEISA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1cc2n[nH]cc2cc1Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001605755046 1097216066 /nfs/dbraw/zinc/21/60/66/1097216066.db2.gz BFUBYHUOYYEISV-UHFFFAOYSA-N -1 3 336.315 2.703 20 5 EFBDHM Cc1cc2n[nH]cc2cc1Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001605755046 1097216069 /nfs/dbraw/zinc/21/60/69/1097216069.db2.gz BFUBYHUOYYEISV-UHFFFAOYSA-N -1 3 336.315 2.703 20 5 EFBDHM Cc1ccc([C@@H](C)Nc2ncc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC001605827820 1097241225 /nfs/dbraw/zinc/24/12/25/1097241225.db2.gz BFXHVEPCFHSCRY-SECBINFHSA-N -1 3 343.322 2.791 20 5 EFBDHM Cc1ccc([C@@H](C)Nc2ncc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC001605827820 1097241231 /nfs/dbraw/zinc/24/12/31/1097241231.db2.gz BFXHVEPCFHSCRY-SECBINFHSA-N -1 3 343.322 2.791 20 5 EFBDHM Cc1ccc(C)c(Oc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)c1 ZINC001605832892 1097243526 /nfs/dbraw/zinc/24/35/26/1097243526.db2.gz JNYYLXJQPHQTBH-UHFFFAOYSA-N -1 3 326.316 2.766 20 5 EFBDHM Cc1ccc(C)c(Oc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)c1 ZINC001605832892 1097243531 /nfs/dbraw/zinc/24/35/31/1097243531.db2.gz JNYYLXJQPHQTBH-UHFFFAOYSA-N -1 3 326.316 2.766 20 5 EFBDHM Cc1ccc(CNc2c(F)cccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001605856582 1097254441 /nfs/dbraw/zinc/25/44/41/1097254441.db2.gz RTKQPRFXJBHTHS-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM Cc1ccc(CNc2c(F)cccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001605856582 1097254442 /nfs/dbraw/zinc/25/44/42/1097254442.db2.gz RTKQPRFXJBHTHS-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM Cc1cccc2c1CN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)CC2 ZINC001605931437 1097278679 /nfs/dbraw/zinc/27/86/79/1097278679.db2.gz XJFOTDFBSNMGJC-UHFFFAOYSA-N -1 3 336.355 2.646 20 5 EFBDHM Cc1cccc2c1CN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)CC2 ZINC001605931437 1097278683 /nfs/dbraw/zinc/27/86/83/1097278683.db2.gz XJFOTDFBSNMGJC-UHFFFAOYSA-N -1 3 336.355 2.646 20 5 EFBDHM Cc1ccsc1CCNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605968260 1097288494 /nfs/dbraw/zinc/28/84/94/1097288494.db2.gz IIECEOVTOHKZFN-UHFFFAOYSA-N -1 3 348.363 2.939 20 5 EFBDHM Cc1ccsc1CCNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605968260 1097288499 /nfs/dbraw/zinc/28/84/99/1097288499.db2.gz IIECEOVTOHKZFN-UHFFFAOYSA-N -1 3 348.363 2.939 20 5 EFBDHM Cc1csc(SCc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])n1 ZINC001606006739 1097296783 /nfs/dbraw/zinc/29/67/83/1097296783.db2.gz DPOBHAIBVXVKTI-UHFFFAOYSA-N -1 3 334.386 2.832 20 5 EFBDHM Cc1csc(SCc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC001606006739 1097296790 /nfs/dbraw/zinc/29/67/90/1097296790.db2.gz DPOBHAIBVXVKTI-UHFFFAOYSA-N -1 3 334.386 2.832 20 5 EFBDHM Cc1nc(N[C@@H](C)c2ccc([N+](=O)[O-])cc2)ccc1-c1nnn[n-]1 ZINC001606076391 1097312575 /nfs/dbraw/zinc/31/25/75/1097312575.db2.gz LHSYLTNYLBWQMY-VIFPVBQESA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1nc(N[C@@H](C)c2ccc([N+](=O)[O-])cc2)ccc1-c1nn[n-]n1 ZINC001606076391 1097312579 /nfs/dbraw/zinc/31/25/79/1097312579.db2.gz LHSYLTNYLBWQMY-VIFPVBQESA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1nc(Sc2cccc(-c3nnn[n-]3)c2Cl)ncc1[N+](=O)[O-] ZINC001606078993 1097314118 /nfs/dbraw/zinc/31/41/18/1097314118.db2.gz HMKYPCHLMIPZPG-UHFFFAOYSA-N -1 3 349.763 2.678 20 5 EFBDHM Cc1nc(Sc2cccc(-c3nn[n-]n3)c2Cl)ncc1[N+](=O)[O-] ZINC001606078993 1097314123 /nfs/dbraw/zinc/31/41/23/1097314123.db2.gz HMKYPCHLMIPZPG-UHFFFAOYSA-N -1 3 349.763 2.678 20 5 EFBDHM O=C(OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1=CCCCCC1 ZINC001606973327 1097485952 /nfs/dbraw/zinc/48/59/52/1097485952.db2.gz CVWVIDRNPXAQDU-UHFFFAOYSA-N -1 3 343.343 2.709 20 5 EFBDHM O=C(OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C1=CCCCCC1 ZINC001606973327 1097485953 /nfs/dbraw/zinc/48/59/53/1097485953.db2.gz CVWVIDRNPXAQDU-UHFFFAOYSA-N -1 3 343.343 2.709 20 5 EFBDHM O=[N+]([O-])c1cc(N2CCc3c2c(F)ccc3F)ccc1-c1nnn[n-]1 ZINC001607078544 1097506273 /nfs/dbraw/zinc/50/62/73/1097506273.db2.gz FXROBJWLQYLKEJ-UHFFFAOYSA-N -1 3 344.281 2.747 20 5 EFBDHM O=[N+]([O-])c1cc(F)c(COc2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC001607078514 1097506385 /nfs/dbraw/zinc/50/63/85/1097506385.db2.gz DPBKUVBZEOOIJK-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001607080020 1097506805 /nfs/dbraw/zinc/50/68/05/1097506805.db2.gz GGIRKDQJCIMVJO-GXTWGEPZSA-N -1 3 340.318 2.882 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001607080020 1097506808 /nfs/dbraw/zinc/50/68/08/1097506808.db2.gz GGIRKDQJCIMVJO-GXTWGEPZSA-N -1 3 340.318 2.882 20 5 EFBDHM O=[N+]([O-])c1cc(NC[C@@H]2CCOC3(CCC3)C2)ccc1-c1nnn[n-]1 ZINC001607078944 1097507258 /nfs/dbraw/zinc/50/72/58/1097507258.db2.gz CHJCGCFHVAWYHH-LLVKDONJSA-N -1 3 344.375 2.536 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@H](c2ccccn2)C2CC2)c(-c2nnn[n-]2)c1 ZINC001607081413 1097507826 /nfs/dbraw/zinc/50/78/26/1097507826.db2.gz BWRTUJKTYMZIBF-HNNXBMFYSA-N -1 3 337.343 2.733 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@H](c2ccccn2)C2CC2)c(-c2nn[n-]n2)c1 ZINC001607081413 1097507831 /nfs/dbraw/zinc/50/78/31/1097507831.db2.gz BWRTUJKTYMZIBF-HNNXBMFYSA-N -1 3 337.343 2.733 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@H]2CCCc3cccnc32)c(-c2nnn[n-]2)c1 ZINC001607082127 1097507872 /nfs/dbraw/zinc/50/78/72/1097507872.db2.gz LPNQZPRPAVGTAF-AWEZNQCLSA-N -1 3 337.343 2.659 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@H]2CCCc3cccnc32)c(-c2nn[n-]n2)c1 ZINC001607082127 1097507877 /nfs/dbraw/zinc/50/78/77/1097507877.db2.gz LPNQZPRPAVGTAF-AWEZNQCLSA-N -1 3 337.343 2.659 20 5 EFBDHM O=[N+]([O-])c1ccc(OCCc2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC001607082619 1097508063 /nfs/dbraw/zinc/50/80/63/1097508063.db2.gz TZZNZWDGHAAETI-UHFFFAOYSA-N -1 3 329.291 2.536 20 5 EFBDHM O=[N+]([O-])c1ccc(OCCc2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC001607082619 1097508068 /nfs/dbraw/zinc/50/80/68/1097508068.db2.gz TZZNZWDGHAAETI-UHFFFAOYSA-N -1 3 329.291 2.536 20 5 EFBDHM O=[N+]([O-])c1cc(Oc2cccc(-n3cccn3)c2)ccc1-c1nnn[n-]1 ZINC001607080549 1097508306 /nfs/dbraw/zinc/50/83/06/1097508306.db2.gz WKBVRFCZHDEAMH-UHFFFAOYSA-N -1 3 349.310 2.753 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@H]2CCc3cc(-c4nnn[n-]4)ccc32)s1 ZINC001607082689 1097508586 /nfs/dbraw/zinc/50/85/86/1097508586.db2.gz RVUYHKWVYOEECB-NSHDSACASA-N -1 3 328.357 2.936 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@H]2CCc3cc(-c4nn[n-]n4)ccc32)s1 ZINC001607082689 1097508590 /nfs/dbraw/zinc/50/85/90/1097508590.db2.gz RVUYHKWVYOEECB-NSHDSACASA-N -1 3 328.357 2.936 20 5 EFBDHM O=[N+]([O-])c1ccc(NCCOC2CCCCC2)c(-c2nnn[n-]2)c1 ZINC001607081442 1097509041 /nfs/dbraw/zinc/50/90/41/1097509041.db2.gz CRPIDOPZEMFWSH-UHFFFAOYSA-N -1 3 332.364 2.536 20 5 EFBDHM O=[N+]([O-])c1ccc(NCCOC2CCCCC2)c(-c2nn[n-]n2)c1 ZINC001607081442 1097509045 /nfs/dbraw/zinc/50/90/45/1097509045.db2.gz CRPIDOPZEMFWSH-UHFFFAOYSA-N -1 3 332.364 2.536 20 5 EFBDHM O=[N+]([O-])c1ccc2nc(NCCCC(F)F)cc(-c3nnn[n-]3)c2c1 ZINC001607083741 1097509334 /nfs/dbraw/zinc/50/93/34/1097509334.db2.gz OBBWESBVHQEVKB-UHFFFAOYSA-N -1 3 349.301 2.780 20 5 EFBDHM O=[N+]([O-])c1ccc2nc(NCCCC(F)F)cc(-c3nn[n-]n3)c2c1 ZINC001607083741 1097509338 /nfs/dbraw/zinc/50/93/38/1097509338.db2.gz OBBWESBVHQEVKB-UHFFFAOYSA-N -1 3 349.301 2.780 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCC(F)(F)c1ccccc1 ZINC001607083301 1097509408 /nfs/dbraw/zinc/50/94/08/1097509408.db2.gz DOBYCTCNFIUIHO-UHFFFAOYSA-N -1 3 346.297 2.979 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCC(F)(F)c1ccccc1 ZINC001607083301 1097509411 /nfs/dbraw/zinc/50/94/11/1097509411.db2.gz DOBYCTCNFIUIHO-UHFFFAOYSA-N -1 3 346.297 2.979 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CCc2c1cccc2F ZINC001607083173 1097510074 /nfs/dbraw/zinc/51/00/74/1097510074.db2.gz ZRGVBSOAIACBKF-UHFFFAOYSA-N -1 3 326.291 2.608 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CCc2c1cccc2F ZINC001607083173 1097510078 /nfs/dbraw/zinc/51/00/78/1097510078.db2.gz ZRGVBSOAIACBKF-UHFFFAOYSA-N -1 3 326.291 2.608 20 5 EFBDHM O=[N+]([O-])c1ncccc1CSc1ccc(-c2nnn[n-]2)cc1F ZINC001607086168 1097510215 /nfs/dbraw/zinc/51/02/15/1097510215.db2.gz VDJQXCKTEXNKGI-UHFFFAOYSA-N -1 3 332.320 2.601 20 5 EFBDHM O=[N+]([O-])c1ncccc1CSc1ccc(-c2nn[n-]n2)cc1F ZINC001607086168 1097510220 /nfs/dbraw/zinc/51/02/20/1097510220.db2.gz VDJQXCKTEXNKGI-UHFFFAOYSA-N -1 3 332.320 2.601 20 5 EFBDHM CC(C)[C@@H]1C[C@@H](CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CCO1 ZINC001609092053 1098140640 /nfs/dbraw/zinc/14/06/40/1098140640.db2.gz YTSPBVHBNPRDOJ-NHYWBVRUSA-N -1 3 346.391 2.638 20 5 EFBDHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])CC(F)(F)F ZINC001609113876 1098151302 /nfs/dbraw/zinc/15/13/02/1098151302.db2.gz KODXGFHHZNEBRW-SSDOTTSWSA-N -1 3 330.270 2.775 20 5 EFBDHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])CC(F)(F)F ZINC001609113876 1098151305 /nfs/dbraw/zinc/15/13/05/1098151305.db2.gz KODXGFHHZNEBRW-SSDOTTSWSA-N -1 3 330.270 2.775 20 5 EFBDHM C[C@H](Oc1ccc([N+](=O)[O-])cc1C=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001609135496 1098162785 /nfs/dbraw/zinc/16/27/85/1098162785.db2.gz VQKYFMOZQCAEAN-JTQLQIEISA-N -1 3 339.311 2.727 20 5 EFBDHM C[C@H](Oc1ccc([N+](=O)[O-])cc1C=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001609135496 1098162786 /nfs/dbraw/zinc/16/27/86/1098162786.db2.gz VQKYFMOZQCAEAN-JTQLQIEISA-N -1 3 339.311 2.727 20 5 EFBDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001609140922 1098166023 /nfs/dbraw/zinc/16/60/23/1098166023.db2.gz WYQVIFNBDOWKGX-NSHDSACASA-N -1 3 336.355 2.852 20 5 EFBDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001609140922 1098166028 /nfs/dbraw/zinc/16/60/28/1098166028.db2.gz WYQVIFNBDOWKGX-NSHDSACASA-N -1 3 336.355 2.852 20 5 EFBDHM CC1(C)C[C@@H]1Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001609147450 1098169695 /nfs/dbraw/zinc/16/96/95/1098169695.db2.gz CBFVWZPMSSAZMI-LBPRGKRZSA-N -1 3 325.332 2.534 20 5 EFBDHM CC1(C)C[C@@H]1Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001609147450 1098169698 /nfs/dbraw/zinc/16/96/98/1098169698.db2.gz CBFVWZPMSSAZMI-LBPRGKRZSA-N -1 3 325.332 2.534 20 5 EFBDHM C[C@@H]1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@@H]1C ZINC001609162888 1098175936 /nfs/dbraw/zinc/17/59/36/1098175936.db2.gz MLNIMFQIZDUZNF-GMTAPVOTSA-N -1 3 331.380 2.654 20 5 EFBDHM C[C@@H]1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@@H]1C ZINC001609162888 1098175939 /nfs/dbraw/zinc/17/59/39/1098175939.db2.gz MLNIMFQIZDUZNF-GMTAPVOTSA-N -1 3 331.380 2.654 20 5 EFBDHM C[C@@H]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@@H]1C ZINC001609162889 1098176631 /nfs/dbraw/zinc/17/66/31/1098176631.db2.gz MLNIMFQIZDUZNF-MXWKQRLJSA-N -1 3 331.380 2.654 20 5 EFBDHM C[C@@H]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@@H]1C ZINC001609162889 1098176634 /nfs/dbraw/zinc/17/66/34/1098176634.db2.gz MLNIMFQIZDUZNF-MXWKQRLJSA-N -1 3 331.380 2.654 20 5 EFBDHM C[C@H]1CC[C@@H]1Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001609162927 1098176645 /nfs/dbraw/zinc/17/66/45/1098176645.db2.gz NUAOAXJRMIJYIS-UFBFGSQYSA-N -1 3 325.332 2.534 20 5 EFBDHM C[C@H]1CC[C@@H]1Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001609162927 1098176651 /nfs/dbraw/zinc/17/66/51/1098176651.db2.gz NUAOAXJRMIJYIS-UFBFGSQYSA-N -1 3 325.332 2.534 20 5 EFBDHM C[C@H]1Oc2ccccc2[C@@H]1Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609179522 1098184744 /nfs/dbraw/zinc/18/47/44/1098184744.db2.gz SXDAHBJISGMMGV-RFAUZJTJSA-N -1 3 338.327 2.709 20 5 EFBDHM CCOC1(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CCCC1 ZINC001609237834 1098216522 /nfs/dbraw/zinc/21/65/22/1098216522.db2.gz XUSFUFRBAVOONC-UHFFFAOYSA-N -1 3 332.364 2.536 20 5 EFBDHM CCOC1(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CCCC1 ZINC001609237834 1098216528 /nfs/dbraw/zinc/21/65/28/1098216528.db2.gz XUSFUFRBAVOONC-UHFFFAOYSA-N -1 3 332.364 2.536 20 5 EFBDHM CCn1nc(C)c([N+](=O)[O-])c1Sc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001609259899 1098230249 /nfs/dbraw/zinc/23/02/49/1098230249.db2.gz XIPZBUQHWKFKMG-UHFFFAOYSA-N -1 3 345.388 2.759 20 5 EFBDHM CCn1nc(C)c([N+](=O)[O-])c1Sc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001609259899 1098230251 /nfs/dbraw/zinc/23/02/51/1098230251.db2.gz XIPZBUQHWKFKMG-UHFFFAOYSA-N -1 3 345.388 2.759 20 5 EFBDHM COc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC001609352665 1098261649 /nfs/dbraw/zinc/26/16/49/1098261649.db2.gz LLBSYMRGOCHMNL-JTQLQIEISA-N -1 3 340.343 2.957 20 5 EFBDHM COc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC001609352665 1098261652 /nfs/dbraw/zinc/26/16/52/1098261652.db2.gz LLBSYMRGOCHMNL-JTQLQIEISA-N -1 3 340.343 2.957 20 5 EFBDHM Cc1csc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)c1-c1nnn[n-]1 ZINC001609395016 1098286081 /nfs/dbraw/zinc/28/60/81/1098286081.db2.gz CHPBWCBTFZAIKZ-UHFFFAOYSA-N -1 3 344.356 2.706 20 5 EFBDHM Cc1csc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)c1-c1nn[n-]n1 ZINC001609395016 1098286084 /nfs/dbraw/zinc/28/60/84/1098286084.db2.gz CHPBWCBTFZAIKZ-UHFFFAOYSA-N -1 3 344.356 2.706 20 5 EFBDHM Cc1cc(Nc2cnn(C(C)(C)C)c2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609410449 1098298946 /nfs/dbraw/zinc/29/89/46/1098298946.db2.gz XBERBKJZPKOASO-UHFFFAOYSA-N -1 3 342.363 2.778 20 5 EFBDHM Cc1cc(Nc2cnn(C(C)(C)C)c2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609410449 1098298951 /nfs/dbraw/zinc/29/89/51/1098298951.db2.gz XBERBKJZPKOASO-UHFFFAOYSA-N -1 3 342.363 2.778 20 5 EFBDHM Cc1ccc([C@H](C)Nc2ccc(-c3nnn[n-]3)c(C)n2)cc1[N+](=O)[O-] ZINC001609420667 1098307781 /nfs/dbraw/zinc/30/77/81/1098307781.db2.gz RYMRRBRPIIUQGX-JTQLQIEISA-N -1 3 339.359 2.960 20 5 EFBDHM Cc1ccc([C@H](C)Nc2ccc(-c3nn[n-]n3)c(C)n2)cc1[N+](=O)[O-] ZINC001609420667 1098307789 /nfs/dbraw/zinc/30/77/89/1098307789.db2.gz RYMRRBRPIIUQGX-JTQLQIEISA-N -1 3 339.359 2.960 20 5 EFBDHM Cc1ccc(CN(C)c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])s1 ZINC001609423354 1098308768 /nfs/dbraw/zinc/30/87/68/1098308768.db2.gz MERQDJDXQHDSCW-UHFFFAOYSA-N -1 3 330.373 2.781 20 5 EFBDHM Cc1ccc(CN(C)c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])s1 ZINC001609423354 1098308775 /nfs/dbraw/zinc/30/87/75/1098308775.db2.gz MERQDJDXQHDSCW-UHFFFAOYSA-N -1 3 330.373 2.781 20 5 EFBDHM Cc1nc(C)c(-c2nnn[n-]2)c(S/C=C\c2ccc([N+](=O)[O-])o2)n1 ZINC001609449179 1098327822 /nfs/dbraw/zinc/32/78/22/1098327822.db2.gz QHIAOYGLYZFLGF-WAYWQWQTSA-N -1 3 345.344 2.538 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCc1ccc(F)c(F)c1 ZINC001609600680 1098395017 /nfs/dbraw/zinc/39/50/17/1098395017.db2.gz YKFGNYINSWTZSW-UHFFFAOYSA-N -1 3 332.270 2.665 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCc1ccc(F)c(F)c1 ZINC001609600680 1098395025 /nfs/dbraw/zinc/39/50/25/1098395025.db2.gz YKFGNYINSWTZSW-UHFFFAOYSA-N -1 3 332.270 2.665 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2noc(-c3ccc(-c4nnn[n-]4)cc3)n2)s1 ZINC001609601195 1098396227 /nfs/dbraw/zinc/39/62/27/1098396227.db2.gz FOWKLOZGCXDGFY-UHFFFAOYSA-N -1 3 341.312 2.553 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2noc(-c3ccc(-c4nn[n-]n4)cc3)n2)s1 ZINC001609601195 1098396231 /nfs/dbraw/zinc/39/62/31/1098396231.db2.gz FOWKLOZGCXDGFY-UHFFFAOYSA-N -1 3 341.312 2.553 20 5 EFBDHM O=[N+]([O-])c1cccc(F)c1N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001609603033 1098396243 /nfs/dbraw/zinc/39/62/43/1098396243.db2.gz VVVWMQKSAGHUFZ-UHFFFAOYSA-N -1 3 326.291 2.608 20 5 EFBDHM O=[N+]([O-])c1cccc(F)c1N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001609603033 1098396246 /nfs/dbraw/zinc/39/62/46/1098396246.db2.gz VVVWMQKSAGHUFZ-UHFFFAOYSA-N -1 3 326.291 2.608 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnc(-c3cc(-c4nnn[n-]4)cs3)o2)c1 ZINC001609602573 1098396742 /nfs/dbraw/zinc/39/67/42/1098396742.db2.gz WLZKGCAJKVDWLD-UHFFFAOYSA-N -1 3 341.312 2.553 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnc(-c3cc(-c4nn[n-]n4)cs3)o2)c1 ZINC001609602573 1098396749 /nfs/dbraw/zinc/39/67/49/1098396749.db2.gz WLZKGCAJKVDWLD-UHFFFAOYSA-N -1 3 341.312 2.553 20 5 EFBDHM O=C([O-])COc1ccc(CN2CCC[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC001610787295 1098886923 /nfs/dbraw/zinc/88/69/23/1098886923.db2.gz ZUWLONPOZZYRTQ-AWEZNQCLSA-N -1 3 334.372 2.680 20 5 EFBDHM CC/C=C(\C)C(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC1 ZINC001104367712 1102301588 /nfs/dbraw/zinc/30/15/88/1102301588.db2.gz FKJGHCNJMDROPW-WUXMJOGZSA-N -1 3 348.403 2.893 20 5 EFBDHM CCCCCC(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCC1 ZINC001111762508 1102691098 /nfs/dbraw/zinc/69/10/98/1102691098.db2.gz ZGJSUEBSGLXQKN-UHFFFAOYSA-N -1 3 336.392 2.727 20 5 EFBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)c1cccc(C)c1 ZINC001106671560 1111711272 /nfs/dbraw/zinc/71/12/72/1111711272.db2.gz DMBNDVLDEPLMGR-UHFFFAOYSA-N -1 3 344.371 2.578 20 5 EFBDHM CCN(CCNc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1[O-] ZINC001106695276 1111723439 /nfs/dbraw/zinc/72/34/39/1111723439.db2.gz VLBJSXSYWTXNLA-UHFFFAOYSA-N -1 3 329.356 2.875 20 5 EFBDHM O=C(C=C1CCCCC1)NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107108377 1120673752 /nfs/dbraw/zinc/67/37/52/1120673752.db2.gz YXIZXHVMDQGAHP-SNAWJCMRSA-N -1 3 346.387 2.670 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCCOC(C)C)cc1C ZINC000181842964 234347124 /nfs/dbraw/zinc/34/71/24/234347124.db2.gz UEQGHQCNCVIMJV-UHFFFAOYSA-N -1 3 344.433 2.695 20 5 EFBDHM O=C(Nc1ccccc1N1CCCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187542274 236240965 /nfs/dbraw/zinc/24/09/65/236240965.db2.gz DIUWUFZTWOTHIE-UHFFFAOYSA-N -1 3 342.355 2.938 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)c1cccc(O)c1 ZINC000160180933 239044455 /nfs/dbraw/zinc/04/44/55/239044455.db2.gz MQOZPCPRRRMHKY-NSHDSACASA-N -1 3 336.369 2.648 20 5 EFBDHM CC(C)COc1cccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000193436023 240108062 /nfs/dbraw/zinc/10/80/62/240108062.db2.gz UVBXJYDRLSGYCC-UHFFFAOYSA-N -1 3 331.328 2.983 20 5 EFBDHM CSC1(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CCC1 ZINC000194005886 240398706 /nfs/dbraw/zinc/39/87/06/240398706.db2.gz QWYAWORGSVDXOE-UHFFFAOYSA-N -1 3 344.458 2.776 20 5 EFBDHM COc1ccc([N-]S(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000414379156 244121903 /nfs/dbraw/zinc/12/19/03/244121903.db2.gz FVBYBAIAFCPMQK-XJKSGUPXSA-N -1 3 348.380 2.901 20 5 EFBDHM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000421747645 246095211 /nfs/dbraw/zinc/09/52/11/246095211.db2.gz IWSBVHJNHVQVQE-UHFFFAOYSA-N -1 3 329.238 2.601 20 5 EFBDHM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000421747645 246095217 /nfs/dbraw/zinc/09/52/17/246095217.db2.gz IWSBVHJNHVQVQE-UHFFFAOYSA-N -1 3 329.238 2.601 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2CCSCC2)cc1C ZINC000264979113 247105319 /nfs/dbraw/zinc/10/53/19/247105319.db2.gz TYGQNGQTVIZROT-UHFFFAOYSA-N -1 3 344.458 2.633 20 5 EFBDHM O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1cc(F)cc(F)c1 ZINC000426774455 247296891 /nfs/dbraw/zinc/29/68/91/247296891.db2.gz UUMLGKWMKYLWGH-HNNXBMFYSA-N -1 3 336.294 2.659 20 5 EFBDHM CCc1c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cnn1CCC(C)C ZINC000427663454 247379795 /nfs/dbraw/zinc/37/97/95/247379795.db2.gz DJUOWBQKEYGTIU-UHFFFAOYSA-N -1 3 347.375 2.753 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]CCCC(F)(F)F)c([N+](=O)[O-])c1 ZINC000439228341 249806872 /nfs/dbraw/zinc/80/68/72/249806872.db2.gz VNWPAZJVPCOEHC-UHFFFAOYSA-N -1 3 326.296 2.524 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CCC[C@H](C)CC1 ZINC000442784223 250117217 /nfs/dbraw/zinc/11/72/17/250117217.db2.gz PDLPNZKEDAIOSQ-RYUDHWBXSA-N -1 3 342.417 2.851 20 5 EFBDHM COc1cc(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)ccc1[O-] ZINC000442824354 250128557 /nfs/dbraw/zinc/12/85/57/250128557.db2.gz SKEZAOCCIVGHJC-UHFFFAOYSA-N -1 3 336.731 2.892 20 5 EFBDHM CCc1[n-][nH]c(=NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1C ZINC000444688466 250327064 /nfs/dbraw/zinc/32/70/64/250327064.db2.gz KBZNBGVEKCPNFT-UHFFFAOYSA-N -1 3 346.390 2.949 20 5 EFBDHM CCc1[n-][nH]c(=NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)c1C ZINC000445191508 250393296 /nfs/dbraw/zinc/39/32/96/250393296.db2.gz LTTLHLULHJCAHW-UHFFFAOYSA-N -1 3 346.390 2.949 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCC(F)(F)F)c1C ZINC000268851679 252298437 /nfs/dbraw/zinc/29/84/37/252298437.db2.gz KHRPNRSUHQIELZ-UHFFFAOYSA-N -1 3 340.323 2.832 20 5 EFBDHM CS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000117376183 221060246 /nfs/dbraw/zinc/06/02/46/221060246.db2.gz JQXLGBQMBZIOEH-NEPJUHHUSA-N -1 3 344.458 2.856 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]C2(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000338712446 141665292 /nfs/dbraw/zinc/66/52/92/141665292.db2.gz FNPKUAFMCRRBJG-UHFFFAOYSA-N -1 3 332.381 2.871 20 5 EFBDHM Cc1nc([N-]C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)nn1C ZINC000344512923 142031170 /nfs/dbraw/zinc/03/11/70/142031170.db2.gz KUCOAZVJKLYSOK-UHFFFAOYSA-N -1 3 335.389 2.785 20 5 EFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCSC(C)C)c1[N+](=O)[O-] ZINC000344816854 142083160 /nfs/dbraw/zinc/08/31/60/142083160.db2.gz XMZHIUVJRGCXES-UHFFFAOYSA-N -1 3 332.447 2.632 20 5 EFBDHM Cc1c(Cl)cc(S(=O)(=O)[N-][C@H]2CC[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000344950804 142102233 /nfs/dbraw/zinc/10/22/33/142102233.db2.gz QUPPRLQWXGGTRL-BDAKNGLRSA-N -1 3 336.772 2.726 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]C2CC(C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000344955140 142102850 /nfs/dbraw/zinc/10/28/50/142102850.db2.gz ORIVHAZMIHQDGL-UHFFFAOYSA-N -1 3 338.307 2.522 20 5 EFBDHM COc1cc(CNCc2ccc3c(c2)COC3)c([N+](=O)[O-])cc1[O-] ZINC000345000952 142109838 /nfs/dbraw/zinc/10/98/38/142109838.db2.gz SELLXAOTAQOWJZ-UHFFFAOYSA-N -1 3 330.340 2.629 20 5 EFBDHM Cn1cc(-c2nc(C(=O)[N-]c3cc(F)cc([N+](=O)[O-])c3)cs2)cn1 ZINC000348002649 142306878 /nfs/dbraw/zinc/30/68/78/142306878.db2.gz JMZPQFYVALJLEF-UHFFFAOYSA-N -1 3 347.331 2.843 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1cccc2cc[nH]c21 ZINC000342072760 145058414 /nfs/dbraw/zinc/05/84/14/145058414.db2.gz HUXZVMHFLJNQGD-UHFFFAOYSA-N -1 3 345.380 2.863 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)c2cccc(O)c2)cc1[N+](=O)[O-] ZINC000342506169 145139803 /nfs/dbraw/zinc/13/98/03/145139803.db2.gz FYONZSYBACVTQR-MRVPVSSYSA-N -1 3 342.398 2.710 20 5 EFBDHM Cc1[nH]nc(C(=O)[N-]c2ncc(Cc3ccccc3)s2)c1[N+](=O)[O-] ZINC000342902302 145218270 /nfs/dbraw/zinc/21/82/70/145218270.db2.gz SAGYNMGEUHEIQQ-UHFFFAOYSA-N -1 3 343.368 2.926 20 5 EFBDHM Cn1c(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000342944329 145226176 /nfs/dbraw/zinc/22/61/76/145226176.db2.gz OKZNBBDIUHBRQF-UHFFFAOYSA-N -1 3 329.234 2.910 20 5 EFBDHM O=C(NCc1ccc([O-])c(F)c1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342951207 145227500 /nfs/dbraw/zinc/22/75/00/145227500.db2.gz POJBXPGGOZQKOS-UHFFFAOYSA-N -1 3 329.287 2.851 20 5 EFBDHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1ccccc1[N+](=O)[O-] ZINC000343815354 145300677 /nfs/dbraw/zinc/30/06/77/145300677.db2.gz ABINYYIQRQWBHD-UHFFFAOYSA-N -1 3 344.277 2.937 20 5 EFBDHM CCC[C@H](NC(C)C)C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000352150785 146302020 /nfs/dbraw/zinc/30/20/20/146302020.db2.gz UYAAAYXCSFNWCI-AWEZNQCLSA-N -1 3 345.403 2.512 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1(C)CCC(C)CC1 ZINC000355954864 147107650 /nfs/dbraw/zinc/10/76/50/147107650.db2.gz MAILIRGRMYMILS-UHFFFAOYSA-N -1 3 342.417 2.851 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-]C2(C)CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000355958617 147108888 /nfs/dbraw/zinc/10/88/88/147108888.db2.gz VTMPSQOZLJAELY-UHFFFAOYSA-N -1 3 342.417 2.851 20 5 EFBDHM CCOC(=O)c1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c([O-])c1 ZINC000356316024 147209671 /nfs/dbraw/zinc/20/96/71/147209671.db2.gz ANVQWZRMKXQNNA-UHFFFAOYSA-N -1 3 348.286 2.869 20 5 EFBDHM Cc1cccc(S(=O)(=O)[N-]CCc2cccc([N+](=O)[O-])c2)c1F ZINC000359187712 148018985 /nfs/dbraw/zinc/01/89/85/148018985.db2.gz BJLWDPFXHTZDEN-UHFFFAOYSA-N -1 3 338.360 2.563 20 5 EFBDHM COC(=O)c1ccc(C(=O)[N-]c2ccc(OC)cc2[N+](=O)[O-])c(F)c1 ZINC000359717743 148169978 /nfs/dbraw/zinc/16/99/78/148169978.db2.gz SWTZVFBHJXBVTD-UHFFFAOYSA-N -1 3 348.286 2.781 20 5 EFBDHM Cc1c(C[N-]S(=O)(=O)c2ccc(F)cc2F)cccc1[N+](=O)[O-] ZINC000360134745 148281045 /nfs/dbraw/zinc/28/10/45/148281045.db2.gz XUMCMJBYTXBPLU-UHFFFAOYSA-N -1 3 342.323 2.660 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1nc2cc(Cl)ccn2n1 ZINC000362297338 148795102 /nfs/dbraw/zinc/79/51/02/148795102.db2.gz NMYSTFROEZXLQS-UHFFFAOYSA-N -1 3 347.718 2.552 20 5 EFBDHM CC[C@@H](C)N[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccco1 ZINC000436714455 286786442 /nfs/dbraw/zinc/78/64/42/286786442.db2.gz METIZLFDHGICFE-DGCLKSJQSA-N -1 3 347.371 2.753 20 5 EFBDHM O=C(c1cc([O-])ccc1Cl)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000357732903 304499840 /nfs/dbraw/zinc/49/98/40/304499840.db2.gz KJUULBAJKNCJMK-UHFFFAOYSA-N -1 3 348.742 2.989 20 5 EFBDHM COc1c(F)cc(S(=O)(=O)[N-]c2ccccc2F)cc1[N+](=O)[O-] ZINC000187166453 265089283 /nfs/dbraw/zinc/08/92/83/265089283.db2.gz KKLQQNJBOAKMGH-UHFFFAOYSA-N -1 3 344.295 2.682 20 5 EFBDHM COc1cc(CNc2cnc3n[nH]c(C)c3c2)c([N+](=O)[O-])cc1[O-] ZINC000189344705 265184671 /nfs/dbraw/zinc/18/46/71/265184671.db2.gz VETVFUMCISFKKU-UHFFFAOYSA-N -1 3 329.316 2.501 20 5 EFBDHM CCC[C@@](C)([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000272131219 266163768 /nfs/dbraw/zinc/16/37/68/266163768.db2.gz WMFRMDMCKKFVLM-CQSZACIVSA-N -1 3 344.314 2.535 20 5 EFBDHM Cc1c([C@H](C)[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cnn1C ZINC000272237496 266200474 /nfs/dbraw/zinc/20/04/74/266200474.db2.gz QFKUCCZAATTWTL-VIFPVBQESA-N -1 3 338.314 2.606 20 5 EFBDHM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2ncc(COC)s2)c1 ZINC000286939087 274305392 /nfs/dbraw/zinc/30/53/92/274305392.db2.gz MAALFJLZYOPTEL-UHFFFAOYSA-N -1 3 337.357 2.849 20 5 EFBDHM C[C@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000288620289 274630891 /nfs/dbraw/zinc/63/08/91/274630891.db2.gz MEXBHQSUYOAAMW-BZNIZROVSA-N -1 3 348.380 2.536 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](C2CC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000288627744 274632204 /nfs/dbraw/zinc/63/22/04/274632204.db2.gz NLDPOXIOEQVUKO-NSHDSACASA-N -1 3 338.307 2.522 20 5 EFBDHM C[C@@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000288632590 274633078 /nfs/dbraw/zinc/63/30/78/274633078.db2.gz OCLHNPNDLXNKCO-MEDUHNTESA-N -1 3 348.380 2.536 20 5 EFBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C1CC1)C(F)(F)F ZINC000288657803 274638098 /nfs/dbraw/zinc/63/80/98/274638098.db2.gz RFVCYOGEMOCGQX-NSHDSACASA-N -1 3 338.307 2.522 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nc(-c3ccc([O-])cc3)no2)cc2c1OCO2 ZINC000436928744 275032945 /nfs/dbraw/zinc/03/29/45/275032945.db2.gz SYWONLFZXOUHCY-UHFFFAOYSA-N -1 3 327.252 2.746 20 5 EFBDHM CCCC(O)(CCC)C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000120238366 292923046 /nfs/dbraw/zinc/92/30/46/292923046.db2.gz VPGDRNGHLKJREY-UHFFFAOYSA-N -1 3 344.433 2.513 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC1(CC(C)C)CC1 ZINC000152329354 293328696 /nfs/dbraw/zinc/32/86/96/293328696.db2.gz MTGHKXOPRNEGFQ-UHFFFAOYSA-N -1 3 342.417 2.708 20 5 EFBDHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)CO2 ZINC000152561243 293339530 /nfs/dbraw/zinc/33/95/30/293339530.db2.gz XMXFGIKUQRTULE-AWEZNQCLSA-N -1 3 348.380 2.624 20 5 EFBDHM O=C(Nc1ncccc1[O-])c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000153310579 293370024 /nfs/dbraw/zinc/37/00/24/293370024.db2.gz JBHWIDDIBRWGAY-UHFFFAOYSA-N -1 3 327.218 2.967 20 5 EFBDHM CCc1[nH]nc(C(=O)Nc2ccc([O-])c(COC(C)C)c2)c1[N+](=O)[O-] ZINC000290633974 294141714 /nfs/dbraw/zinc/14/17/14/294141714.db2.gz PNPJGEGTBOMALQ-UHFFFAOYSA-N -1 3 348.359 2.763 20 5 EFBDHM CC(C)OCc1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccc1O ZINC000290663468 294150351 /nfs/dbraw/zinc/15/03/51/294150351.db2.gz RWZCMLWTBNUGTE-UHFFFAOYSA-N -1 3 347.327 2.578 20 5 EFBDHM COc1cc([C@@H]2Nc3ccc(C)cc3C(=O)N2C)c([N+](=O)[O-])cc1[O-] ZINC000153693896 295020953 /nfs/dbraw/zinc/02/09/53/295020953.db2.gz OQAUKRNWTQLVHX-MRXNPFEDSA-N -1 3 343.339 2.814 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nnc(C2CCOCC2)s1 ZINC000293953319 295086605 /nfs/dbraw/zinc/08/66/05/295086605.db2.gz AJWLRBQUZVNGMM-UHFFFAOYSA-N -1 3 348.384 2.901 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000071826204 295199489 /nfs/dbraw/zinc/19/94/89/295199489.db2.gz LFELAPOROTYPAU-NQBHXWOUSA-N -1 3 342.417 2.706 20 5 EFBDHM Cc1nc(C)c(CCC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c(=O)[n-]1 ZINC000295255488 295288448 /nfs/dbraw/zinc/28/84/48/295288448.db2.gz FPEFYEBETAUMCV-JTQLQIEISA-N -1 3 344.371 2.517 20 5 EFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2F)c1[N+](=O)[O-] ZINC000416601085 301556115 /nfs/dbraw/zinc/55/61/15/301556115.db2.gz YWFVXHOIHFDPSN-VXGBXAGGSA-N -1 3 330.381 2.771 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCOCC(C)C)c1C ZINC000119425374 301859661 /nfs/dbraw/zinc/85/96/61/301859661.db2.gz BUZYLHZWXYHVDM-UHFFFAOYSA-N -1 3 344.433 2.553 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C1CC(C(F)(F)F)C1 ZINC000344949403 302047473 /nfs/dbraw/zinc/04/74/73/302047473.db2.gz HYSYCMVLGYFCTG-UHFFFAOYSA-N -1 3 338.307 2.522 20 5 EFBDHM Cc1ccc(C[C@H](C)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000159646589 310689627 /nfs/dbraw/zinc/68/96/27/310689627.db2.gz IFRVXHFYMIPDCH-JTQLQIEISA-N -1 3 340.426 2.874 20 5 EFBDHM Cc1cnc([N-]C(=O)c2ccc([N+](=O)[O-])o2)c(Br)c1 ZINC000162917414 310722469 /nfs/dbraw/zinc/72/24/69/310722469.db2.gz UYQRXHHPARBDBE-UHFFFAOYSA-N -1 3 326.106 2.906 20 5 EFBDHM O=C([N-]OCC1CC1)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000297789575 310930194 /nfs/dbraw/zinc/93/01/94/310930194.db2.gz OFBMEHVZNWSGPJ-UHFFFAOYSA-N -1 3 330.138 2.820 20 5 EFBDHM CC(C)(C)c1nnc([N-]C(=O)c2cc(F)cc([N+](=O)[O-])c2N)s1 ZINC000299103359 311050986 /nfs/dbraw/zinc/05/09/86/311050986.db2.gz IHDXXUJDKVHFFS-UHFFFAOYSA-N -1 3 339.352 2.717 20 5 EFBDHM COc1ccc(-c2ccc(CNC[C@@H](C)C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000417582599 312243899 /nfs/dbraw/zinc/24/38/99/312243899.db2.gz ITEPSTPZZBRYPN-SNVBAGLBSA-N -1 3 334.328 2.674 20 5 EFBDHM Cc1cc(N)cc(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1 ZINC000420449253 312365990 /nfs/dbraw/zinc/36/59/90/312365990.db2.gz FYIPKBTVVVCFIK-UHFFFAOYSA-N -1 3 349.412 2.581 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H]2C2CCCCC2)c(F)c1 ZINC000462500797 313115645 /nfs/dbraw/zinc/11/56/45/313115645.db2.gz JLFWQZBKPOLBGY-TZMCWYRMSA-N -1 3 342.392 2.981 20 5 EFBDHM CCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)CCCC1 ZINC000472356762 313189604 /nfs/dbraw/zinc/18/96/04/313189604.db2.gz UVIRKZMLHNIGKL-UHFFFAOYSA-N -1 3 342.417 2.852 20 5 EFBDHM O=C(/C=C/c1cncc([O-])c1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000492521696 314023042 /nfs/dbraw/zinc/02/30/42/314023042.db2.gz QUVLOZIPPHVMGV-DAFODLJHSA-N -1 3 347.758 2.721 20 5 EFBDHM COc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ncccc12 ZINC000518300657 315805174 /nfs/dbraw/zinc/80/51/74/315805174.db2.gz XANWPDNOYAOBAN-UHFFFAOYSA-N -1 3 340.295 2.505 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCc2cccs2)c(F)c1 ZINC000539860395 317732818 /nfs/dbraw/zinc/73/28/18/317732818.db2.gz IKODBTHEFIVOHT-UHFFFAOYSA-N -1 3 344.389 2.707 20 5 EFBDHM O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1cc([O-])ccc1Cl ZINC000550556725 318194543 /nfs/dbraw/zinc/19/45/43/318194543.db2.gz QZCFDHJETQGIIC-UHFFFAOYSA-N -1 3 336.731 2.763 20 5 EFBDHM COc1ccc(Cc2nc(-c3ccc([O-])cc3)no2)cc1[N+](=O)[O-] ZINC000554024777 318299651 /nfs/dbraw/zinc/29/96/51/318299651.db2.gz IITAPPNOJJCITD-UHFFFAOYSA-N -1 3 327.296 2.950 20 5 EFBDHM CN(C)[C@H](CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])Cc1ccccc1 ZINC000563813799 318818605 /nfs/dbraw/zinc/81/86/05/318818605.db2.gz PJZLDNTWIGZJJE-HNNXBMFYSA-N -1 3 343.383 2.878 20 5 EFBDHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000567610914 319188406 /nfs/dbraw/zinc/18/84/06/319188406.db2.gz PZFKQGIENDNXLP-UHFFFAOYSA-N -1 3 346.343 2.672 20 5 EFBDHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000567610914 319188407 /nfs/dbraw/zinc/18/84/07/319188407.db2.gz PZFKQGIENDNXLP-UHFFFAOYSA-N -1 3 346.343 2.672 20 5 EFBDHM CCN1CCC(N(C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000577222752 320090331 /nfs/dbraw/zinc/09/03/31/320090331.db2.gz QIKRYRXDBYPBAN-UHFFFAOYSA-N -1 3 341.795 2.510 20 5 EFBDHM O=C([O-])[C@@]1(c2ccccc2)CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000577958399 320160249 /nfs/dbraw/zinc/16/02/49/320160249.db2.gz JAHPGQHQOKLULT-SFHVURJKSA-N -1 3 326.352 2.823 20 5 EFBDHM Cc1ccc([C@H](CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])N(C)C)cc1 ZINC000578536427 320215517 /nfs/dbraw/zinc/21/55/17/320215517.db2.gz CSVBFCQTYNZUBQ-HNNXBMFYSA-N -1 3 344.371 2.711 20 5 EFBDHM CC(C)CN(CCN(C)C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000580715917 324220322 /nfs/dbraw/zinc/22/03/22/324220322.db2.gz BLDYBBOZVUQJGC-UHFFFAOYSA-N -1 3 343.811 2.614 20 5 EFBDHM O=C(Nc1ccc([O-])cc1F)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000124284304 473227805 /nfs/dbraw/zinc/22/78/05/473227805.db2.gz HVHIPZQSCFCAGQ-UHFFFAOYSA-N -1 3 342.286 2.878 20 5 EFBDHM COc1cc(S(=O)(=O)[N-]c2ccc(C)cc2F)ccc1[N+](=O)[O-] ZINC000124379439 473239325 /nfs/dbraw/zinc/23/93/25/473239325.db2.gz PLSRDEFFGJWRAY-UHFFFAOYSA-N -1 3 340.332 2.852 20 5 EFBDHM O=C(Nc1ccc([O-])cc1F)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000124394999 473241185 /nfs/dbraw/zinc/24/11/85/473241185.db2.gz QEQMPTYZOVMFHY-UHFFFAOYSA-N -1 3 342.286 2.878 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2noc([N-]Cc3cn4c(n3)CCCC4)n2)cc1 ZINC000486955542 468015290 /nfs/dbraw/zinc/01/52/90/468015290.db2.gz GHKTYSGKTDCBLN-UHFFFAOYSA-N -1 3 340.343 2.790 20 5 EFBDHM O=C(Nc1cccc(-c2cnco2)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000171188561 473315217 /nfs/dbraw/zinc/31/52/17/473315217.db2.gz RQGWKYRVTYXAPV-UHFFFAOYSA-N -1 3 326.268 2.603 20 5 EFBDHM CCSCC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000124867515 473317254 /nfs/dbraw/zinc/31/72/54/473317254.db2.gz QRAGWVBZVIPLAZ-QMMMGPOBSA-N -1 3 338.476 2.775 20 5 EFBDHM CCSCC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000124867282 473317495 /nfs/dbraw/zinc/31/74/95/473317495.db2.gz QRAGWVBZVIPLAZ-MRVPVSSYSA-N -1 3 338.476 2.775 20 5 EFBDHM COc1ccc(Cn2ccc([N-]c3cccnc3[N+](=O)[O-])n2)cc1 ZINC000614524443 469962511 /nfs/dbraw/zinc/96/25/11/469962511.db2.gz HPSBZUQRAUSXJF-UHFFFAOYSA-N -1 3 325.328 2.987 20 5 EFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2CCC(F)(F)C2)c1[N+](=O)[O-] ZINC000616425422 479904896 /nfs/dbraw/zinc/90/48/96/479904896.db2.gz ABYZZGSAULWHQK-JTQLQIEISA-N -1 3 334.344 2.678 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2F)cc1[N+](=O)[O-] ZINC000005127045 471487361 /nfs/dbraw/zinc/48/73/61/471487361.db2.gz ANRDYYRWYREFEX-UHFFFAOYSA-N -1 3 340.332 2.852 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(F)c1F ZINC000067124785 471994524 /nfs/dbraw/zinc/99/45/24/471994524.db2.gz GTMKWSFPPIHWBM-UHFFFAOYSA-N -1 3 328.296 2.982 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCc3ccccc32)c(F)c1 ZINC000055243656 472157621 /nfs/dbraw/zinc/15/76/21/472157621.db2.gz NVSDONYVETWIOD-AWEZNQCLSA-N -1 3 336.344 2.700 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCc2ccccc21 ZINC000042986638 472188030 /nfs/dbraw/zinc/18/80/30/472188030.db2.gz KMSBCVKNMCRESV-CQSZACIVSA-N -1 3 348.380 2.569 20 5 EFBDHM Cc1cc(S(=O)(=O)[N-]Cc2cccc([N+](=O)[O-])c2)c(F)cc1F ZINC000084673028 472206484 /nfs/dbraw/zinc/20/64/84/472206484.db2.gz CPOLHXXQVDLZMU-UHFFFAOYSA-N -1 3 342.323 2.660 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2Cl)c(F)c1 ZINC000055946478 472261965 /nfs/dbraw/zinc/26/19/65/472261965.db2.gz XNNPPYKYEBNSQV-UHFFFAOYSA-N -1 3 344.751 2.866 20 5 EFBDHM C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000056108725 472283693 /nfs/dbraw/zinc/28/36/93/472283693.db2.gz QVDIWXLVVXPGQN-VIFPVBQESA-N -1 3 342.323 2.913 20 5 EFBDHM O=C(Nc1nc2c(s1)CCC2)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000056218586 472294535 /nfs/dbraw/zinc/29/45/35/472294535.db2.gz FEELMVUGERTUKY-UHFFFAOYSA-N -1 3 329.341 2.669 20 5 EFBDHM COC(=O)c1cc([N-]C(=O)c2ccccc2[N+](=O)[O-])c(F)cc1F ZINC000031026790 472358478 /nfs/dbraw/zinc/35/84/78/472358478.db2.gz ZQPXAHUGRFTPQR-UHFFFAOYSA-N -1 3 336.250 2.912 20 5 EFBDHM O=C(c1n[n-]c2ccc([N+](=O)[O-])cc21)N1CCOc2ccc(F)cc21 ZINC000088360689 472359360 /nfs/dbraw/zinc/35/93/60/472359360.db2.gz KUZGCNBEODRVMT-UHFFFAOYSA-N -1 3 342.286 2.649 20 5 EFBDHM O=C(Nc1cccc(OC2CCCC2)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000031206561 472367571 /nfs/dbraw/zinc/36/75/71/472367571.db2.gz PLQCUVZBYSPXTQ-UHFFFAOYSA-N -1 3 343.339 2.857 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H]1CCC[C@@H](C)C1 ZINC000057011798 472373318 /nfs/dbraw/zinc/37/33/18/472373318.db2.gz KFCCNJBTQXEPSH-NEPJUHHUSA-N -1 3 342.417 2.708 20 5 EFBDHM CCc1onc(C)c1[N-]C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000089396949 472426855 /nfs/dbraw/zinc/42/68/55/472426855.db2.gz UCEADMZHRJZZRV-UHFFFAOYSA-N -1 3 334.288 2.923 20 5 EFBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]Cc1cc2ccccc2o1 ZINC000097115443 472455217 /nfs/dbraw/zinc/45/52/17/472455217.db2.gz GUMZMQYPGZPBAB-UHFFFAOYSA-N -1 3 346.364 2.961 20 5 EFBDHM Cc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000089589082 472462221 /nfs/dbraw/zinc/46/22/21/472462221.db2.gz OXZIAJVAGDAKHP-UHFFFAOYSA-N -1 3 341.367 2.571 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)CCc1ccco1 ZINC000046034064 472498789 /nfs/dbraw/zinc/49/87/89/472498789.db2.gz VKLBJUGUGCGHDY-LBPRGKRZSA-N -1 3 338.385 2.796 20 5 EFBDHM COc1ccc(OC)c(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC000046306037 472541875 /nfs/dbraw/zinc/54/18/75/472541875.db2.gz NHPDGQNFNVVUQX-UHFFFAOYSA-N -1 3 342.311 2.741 20 5 EFBDHM Cc1cccc(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1 ZINC000060498862 472663081 /nfs/dbraw/zinc/66/30/81/472663081.db2.gz SPSFLOOWLODDPU-UHFFFAOYSA-N -1 3 334.397 2.999 20 5 EFBDHM C[C@@H](Cc1ccsc1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000060509873 472663515 /nfs/dbraw/zinc/66/35/15/472663515.db2.gz YZZLFKXCHAKRNT-JTQLQIEISA-N -1 3 326.399 2.566 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)c2nccs2)c1C ZINC000120408199 472682843 /nfs/dbraw/zinc/68/28/43/472682843.db2.gz RHMKYCFTLZRHEN-JTQLQIEISA-N -1 3 341.414 2.708 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1cc(F)ccc1F ZINC000104752790 472690824 /nfs/dbraw/zinc/69/08/24/472690824.db2.gz WEEGUKWBWIPNNX-UHFFFAOYSA-N -1 3 342.323 2.660 20 5 EFBDHM COC(C)(C)C[C@H](C)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000120975845 472777114 /nfs/dbraw/zinc/77/71/14/472777114.db2.gz DXLHOVFEIZDVIF-NSHDSACASA-N -1 3 344.433 2.694 20 5 EFBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000092066107 472850630 /nfs/dbraw/zinc/85/06/30/472850630.db2.gz KQGQXHVFKDWONE-CXAGYDPISA-N -1 3 331.416 2.749 20 5 EFBDHM Cc1ccc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c(O)c1 ZINC000092258518 472883341 /nfs/dbraw/zinc/88/33/41/472883341.db2.gz JQAIRYLVHRETOC-UHFFFAOYSA-N -1 3 336.369 2.593 20 5 EFBDHM Cc1cc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)ccc1[N+](=O)[O-] ZINC000092606092 472945123 /nfs/dbraw/zinc/94/51/23/472945123.db2.gz RLTRNRFXFLPFSI-UHFFFAOYSA-N -1 3 341.367 2.571 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]c2c(F)cccc2F)c([N+](=O)[O-])c1 ZINC000158546440 472945159 /nfs/dbraw/zinc/94/51/59/472945159.db2.gz OEEXONUFDAOMMG-UHFFFAOYSA-N -1 3 328.296 2.982 20 5 EFBDHM Cc1cc([N-]C(=O)c2ccc([N+](=O)[O-])cc2Br)no1 ZINC000158902519 472977370 /nfs/dbraw/zinc/97/73/70/472977370.db2.gz UTBGBEJNCWBJGK-UHFFFAOYSA-N -1 3 326.106 2.906 20 5 EFBDHM Cc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000159646440 473048992 /nfs/dbraw/zinc/04/89/92/473048992.db2.gz IFRVXHFYMIPDCH-SNVBAGLBSA-N -1 3 340.426 2.874 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-]Cc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000123015686 473086089 /nfs/dbraw/zinc/08/60/89/473086089.db2.gz ACMUNVKMWJQFJV-UHFFFAOYSA-N -1 3 326.399 2.752 20 5 EFBDHM COc1cc(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)ccc1[N+](=O)[O-] ZINC000160231124 473099307 /nfs/dbraw/zinc/09/93/07/473099307.db2.gz PEYFRFRPDALSSY-UHFFFAOYSA-N -1 3 343.299 2.542 20 5 EFBDHM COc1cc(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)ccc1[N+](=O)[O-] ZINC000160231124 473099312 /nfs/dbraw/zinc/09/93/12/473099312.db2.gz PEYFRFRPDALSSY-UHFFFAOYSA-N -1 3 343.299 2.542 20 5 EFBDHM CN(C)CCN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC000185681457 473487517 /nfs/dbraw/zinc/48/75/17/473487517.db2.gz XPQJAILTLMQXHW-UHFFFAOYSA-N -1 3 329.356 2.509 20 5 EFBDHM COc1cc(CNc2ncn(-c3ccccc3)n2)c([N+](=O)[O-])cc1[O-] ZINC000191150746 473491687 /nfs/dbraw/zinc/49/16/87/473491687.db2.gz IIZPAMQOQNBRCJ-UHFFFAOYSA-N -1 3 341.327 2.502 20 5 EFBDHM Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1OC(F)F ZINC000114800545 473507140 /nfs/dbraw/zinc/50/71/40/473507140.db2.gz CXOOJQFZHQBYJG-UHFFFAOYSA-N -1 3 339.254 2.858 20 5 EFBDHM O=C(Nc1ccc2nc(C3CC3)oc2c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185812143 473521219 /nfs/dbraw/zinc/52/12/19/473521219.db2.gz WOIWCKYZVDIGJZ-UHFFFAOYSA-N -1 3 340.295 2.966 20 5 EFBDHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2F)ccc1[N+](=O)[O-] ZINC000172181812 473543787 /nfs/dbraw/zinc/54/37/87/473543787.db2.gz ROYSOYDUESBPFT-UHFFFAOYSA-N -1 3 328.296 2.982 20 5 EFBDHM Cc1c([N-]S(=O)(=O)c2ccc(CN(C)C)cc2)cccc1[N+](=O)[O-] ZINC000170609276 473565042 /nfs/dbraw/zinc/56/50/42/473565042.db2.gz IZILJPOBUPZDDK-UHFFFAOYSA-N -1 3 349.412 2.766 20 5 EFBDHM O=C(Nc1cccc(OC(F)F)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000127113055 473577688 /nfs/dbraw/zinc/57/76/88/473577688.db2.gz ZBMZBXXSUQZYTL-UHFFFAOYSA-N -1 3 325.227 2.549 20 5 EFBDHM Cc1cc(C)c(S(=O)(=O)Nc2cccc([O-])c2F)cc1[N+](=O)[O-] ZINC000191798701 473579153 /nfs/dbraw/zinc/57/91/53/473579153.db2.gz YKHFJKATHMGODV-UHFFFAOYSA-N -1 3 340.332 2.857 20 5 EFBDHM Cc1cccc(F)c1S(=O)(=O)[N-]CCc1ccc([N+](=O)[O-])cc1 ZINC000186391797 473666219 /nfs/dbraw/zinc/66/62/19/473666219.db2.gz RJQHZAVQSCHONL-UHFFFAOYSA-N -1 3 338.360 2.563 20 5 EFBDHM O=C(Nc1cc(Br)ccc1[O-])c1ccc([N+](=O)[O-])o1 ZINC000179656571 473704342 /nfs/dbraw/zinc/70/43/42/473704342.db2.gz OIKUFDSHTIHXMO-UHFFFAOYSA-N -1 3 327.090 2.908 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCCSC2)c1C ZINC000287606052 473710203 /nfs/dbraw/zinc/71/02/03/473710203.db2.gz ZATMNTSOQJZFIA-GFCCVEGCSA-N -1 3 344.458 2.633 20 5 EFBDHM CSC(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000173237728 473777898 /nfs/dbraw/zinc/77/78/98/473777898.db2.gz KZPBXQCHPVEZQZ-UHFFFAOYSA-N -1 3 338.838 2.668 20 5 EFBDHM CCc1ccc(C(=O)Nc2nnc(-c3ccco3)[n-]2)cc1[N+](=O)[O-] ZINC000174179626 474001980 /nfs/dbraw/zinc/00/19/80/474001980.db2.gz UOIHLXWZWKLNFW-UHFFFAOYSA-N -1 3 327.300 2.788 20 5 EFBDHM CCc1ccc(C(=O)Nc2nc(-c3ccco3)n[n-]2)cc1[N+](=O)[O-] ZINC000174179626 474001987 /nfs/dbraw/zinc/00/19/87/474001987.db2.gz UOIHLXWZWKLNFW-UHFFFAOYSA-N -1 3 327.300 2.788 20 5 EFBDHM CCc1ccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)cc1[N+](=O)[O-] ZINC000174179626 474001992 /nfs/dbraw/zinc/00/19/92/474001992.db2.gz UOIHLXWZWKLNFW-UHFFFAOYSA-N -1 3 327.300 2.788 20 5 EFBDHM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccc(F)cn1 ZINC000181729644 474059694 /nfs/dbraw/zinc/05/96/94/474059694.db2.gz FKEBAIQMOQKDBF-UHFFFAOYSA-N -1 3 333.275 2.543 20 5 EFBDHM O=C(/C=C/c1cncc([O-])c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000182133143 474106618 /nfs/dbraw/zinc/10/66/18/474106618.db2.gz HVQDRHSMEMGRPF-QPJJXVBHSA-N -1 3 339.351 2.900 20 5 EFBDHM CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000175281547 474178269 /nfs/dbraw/zinc/17/82/69/474178269.db2.gz CJPJAZYIDPMBRQ-NEPJUHHUSA-N -1 3 348.421 2.686 20 5 EFBDHM CCS[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000175281512 474178365 /nfs/dbraw/zinc/17/83/65/474178365.db2.gz CJPJAZYIDPMBRQ-RYUDHWBXSA-N -1 3 348.421 2.686 20 5 EFBDHM CCS[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000175281527 474179196 /nfs/dbraw/zinc/17/91/96/474179196.db2.gz CJPJAZYIDPMBRQ-VXGBXAGGSA-N -1 3 348.421 2.686 20 5 EFBDHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)s1 ZINC000175622914 474266753 /nfs/dbraw/zinc/26/67/53/474266753.db2.gz NMDYVYZXTUMGQM-SNVBAGLBSA-N -1 3 341.414 2.708 20 5 EFBDHM Cc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000276042786 474398923 /nfs/dbraw/zinc/39/89/23/474398923.db2.gz GSIIAAGMSLGDGK-UHFFFAOYSA-N -1 3 341.367 2.571 20 5 EFBDHM CSc1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cn1 ZINC000608907550 480104845 /nfs/dbraw/zinc/10/48/45/480104845.db2.gz LNHCKVOEWCSYPB-UHFFFAOYSA-N -1 3 329.341 2.840 20 5 EFBDHM Cc1cccc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1[N+](=O)[O-] ZINC000276109015 474420336 /nfs/dbraw/zinc/42/03/36/474420336.db2.gz VKTAQQAJNQPPON-UHFFFAOYSA-N -1 3 341.367 2.571 20 5 EFBDHM COc1cc(C(=O)NCc2ccc([O-])c(F)c2)cc([N+](=O)[O-])c1C ZINC000189555777 474439462 /nfs/dbraw/zinc/43/94/62/474439462.db2.gz WYMYCMMNVMLPJX-UHFFFAOYSA-N -1 3 334.303 2.687 20 5 EFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]Cc2ccccc2F)c1[N+](=O)[O-] ZINC000189793794 474483319 /nfs/dbraw/zinc/48/33/19/474483319.db2.gz UQUVBFARQSWBBA-UHFFFAOYSA-N -1 3 338.360 2.829 20 5 EFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C)c2nccs2)c1[N+](=O)[O-] ZINC000189952788 474516746 /nfs/dbraw/zinc/51/67/46/474516746.db2.gz BYUXYOFNTRKMIE-JTQLQIEISA-N -1 3 341.414 2.708 20 5 EFBDHM CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609042556 480109899 /nfs/dbraw/zinc/10/98/99/480109899.db2.gz ZWIAVNFUQOSDGH-AWEZNQCLSA-N -1 3 334.397 2.894 20 5 EFBDHM Cc1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)nn1C1CCCCC1 ZINC000291895842 474739526 /nfs/dbraw/zinc/73/95/26/474739526.db2.gz MQUPRRFZIPVJMZ-UHFFFAOYSA-N -1 3 345.359 2.958 20 5 EFBDHM Cc1ccc([O-])c(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 ZINC000273437918 474896389 /nfs/dbraw/zinc/89/63/89/474896389.db2.gz FRIIAJDRDLRRJY-UHFFFAOYSA-N -1 3 342.355 2.856 20 5 EFBDHM CC[C@@H](C)n1nc(NCc2cc(OC)c([O-])cc2[N+](=O)[O-])cc1C ZINC000345158037 474945350 /nfs/dbraw/zinc/94/53/50/474945350.db2.gz DBNAHAPBMMAMPL-SNVBAGLBSA-N -1 3 334.376 2.819 20 5 EFBDHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])CC2 ZINC000609319873 480144821 /nfs/dbraw/zinc/14/48/21/480144821.db2.gz RGXNVSXZQUQHGP-AWEZNQCLSA-N -1 3 332.381 2.869 20 5 EFBDHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])CC2 ZINC000609319875 480144891 /nfs/dbraw/zinc/14/48/91/480144891.db2.gz RGXNVSXZQUQHGP-CQSZACIVSA-N -1 3 332.381 2.869 20 5 EFBDHM CCCN(CC(=O)[O-])Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000262377698 475228488 /nfs/dbraw/zinc/22/84/88/475228488.db2.gz NPJOPVNSMDFMMF-UHFFFAOYSA-N -1 3 348.302 2.501 20 5 EFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CC=CCC1 ZINC000341699857 475232729 /nfs/dbraw/zinc/23/27/29/475232729.db2.gz SBQPMSLBKKXOKH-JTQLQIEISA-N -1 3 330.793 2.883 20 5 EFBDHM Cc1ccsc1C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000337706505 475258925 /nfs/dbraw/zinc/25/89/25/475258925.db2.gz BQGFVGDFCIGPRK-UHFFFAOYSA-N -1 3 326.399 2.752 20 5 EFBDHM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000354676298 475331265 /nfs/dbraw/zinc/33/12/65/475331265.db2.gz UBQOIDIVGQLPCJ-MRVPVSSYSA-N -1 3 326.296 2.604 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2CC(=O)c3ccccc32)c([N+](=O)[O-])c1 ZINC000354612571 475290333 /nfs/dbraw/zinc/29/03/33/475290333.db2.gz GXKDQRCDPKRPIQ-ZDUSSCGKSA-N -1 3 346.364 2.509 20 5 EFBDHM C[C@H]1CC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H](C)C1 ZINC000352478872 475332632 /nfs/dbraw/zinc/33/26/32/475332632.db2.gz BFUJNTKMLIESDB-NXEZZACHSA-N -1 3 330.381 2.837 20 5 EFBDHM O=C(Nc1cc(Cl)ccc1[O-])c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000352457341 475313641 /nfs/dbraw/zinc/31/36/41/475313641.db2.gz WNNAZJVZGBRRCI-UHFFFAOYSA-N -1 3 336.687 2.935 20 5 EFBDHM COc1cc([O-])cc(NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)c1 ZINC000352458150 475314455 /nfs/dbraw/zinc/31/44/55/475314455.db2.gz GZXXMFOQMQGZEI-UHFFFAOYSA-N -1 3 332.312 2.878 20 5 EFBDHM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000354719048 475356713 /nfs/dbraw/zinc/35/67/13/475356713.db2.gz WUNZNXVDXISFOX-SECBINFHSA-N -1 3 340.323 2.913 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000337936790 475445732 /nfs/dbraw/zinc/44/57/32/475445732.db2.gz DKZNAMTUZDGXPO-UHFFFAOYSA-N -1 3 342.323 2.660 20 5 EFBDHM C[C@@H]1CC=CC[C@H]1C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000352798554 475633498 /nfs/dbraw/zinc/63/34/98/475633498.db2.gz UUJSXONHXOXUQA-BXUZGUMPSA-N -1 3 326.356 2.948 20 5 EFBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)[C@H]1CC12CCCC2 ZINC000355149081 475701195 /nfs/dbraw/zinc/70/11/95/475701195.db2.gz FYROVWYRKUYILQ-CYBMUJFWSA-N -1 3 326.356 2.926 20 5 EFBDHM CC(C)C(=O)Nc1cccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000361917148 475865207 /nfs/dbraw/zinc/86/52/07/475865207.db2.gz XLZLGEMPJNQTQM-UHFFFAOYSA-N -1 3 344.327 2.542 20 5 EFBDHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000297962893 475937987 /nfs/dbraw/zinc/93/79/87/475937987.db2.gz YAJFUQQEPCSJRI-UHFFFAOYSA-N -1 3 339.348 2.606 20 5 EFBDHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000297962893 475937992 /nfs/dbraw/zinc/93/79/92/475937992.db2.gz YAJFUQQEPCSJRI-UHFFFAOYSA-N -1 3 339.348 2.606 20 5 EFBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000362102365 476000626 /nfs/dbraw/zinc/00/06/26/476000626.db2.gz MPADHQRNNPFRES-QMMMGPOBSA-N -1 3 326.296 2.522 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1ccc(F)cc1F ZINC000347019414 476038324 /nfs/dbraw/zinc/03/83/24/476038324.db2.gz ZWNPZROCOHHJNX-UHFFFAOYSA-N -1 3 342.323 2.660 20 5 EFBDHM COc1ccc([N+](=O)[O-])c(NCCCNC(=O)c2cccc([O-])c2)c1 ZINC000338661367 476094353 /nfs/dbraw/zinc/09/43/53/476094353.db2.gz FSFKVWXKYLSSSW-UHFFFAOYSA-N -1 3 345.355 2.541 20 5 EFBDHM COc1ccc(-c2ccc(CN[C@@H](C)CC(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000362345551 476184810 /nfs/dbraw/zinc/18/48/10/476184810.db2.gz GQMKJMARHBBDLX-JTQLQIEISA-N -1 3 334.328 2.816 20 5 EFBDHM CCO[C@H]1C[C@](NCc2ccc(C)c([N+](=O)[O-])c2)(C(=O)[O-])C1(C)C ZINC000340687660 476207101 /nfs/dbraw/zinc/20/71/01/476207101.db2.gz BBSATBBLIPFYMP-YOEHRIQHSA-N -1 3 336.388 2.651 20 5 EFBDHM O=C(Nc1cc(CC2CCCCC2)[nH]n1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000303279241 476228314 /nfs/dbraw/zinc/22/83/14/476228314.db2.gz UCAOVVZQBXXLJQ-UHFFFAOYSA-N -1 3 345.359 2.794 20 5 EFBDHM Cc1ccc(-c2cc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)n[nH]2)s1 ZINC000303298426 476229866 /nfs/dbraw/zinc/22/98/66/476229866.db2.gz PNUBZXGAPDIYQS-UHFFFAOYSA-N -1 3 345.340 2.708 20 5 EFBDHM COc1cc(-c2noc(COc3ccccc3[N+](=O)[O-])n2)ccc1[O-] ZINC000350569399 476248854 /nfs/dbraw/zinc/24/88/54/476248854.db2.gz LMPUZMICDZHFTK-UHFFFAOYSA-N -1 3 343.295 2.938 20 5 EFBDHM COc1cc(C)cc(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)c1[O-] ZINC000350572457 476250172 /nfs/dbraw/zinc/25/01/72/476250172.db2.gz ZYYDMTLJVZABQA-UHFFFAOYSA-N -1 3 342.311 2.653 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC1CCC(F)(F)CC1 ZINC000336999120 476255374 /nfs/dbraw/zinc/25/53/74/476255374.db2.gz QPQUUSHKYYIVCR-UHFFFAOYSA-N -1 3 334.344 2.699 20 5 EFBDHM O=C(Cc1ccc([O-])cc1Cl)NCCc1ccccc1[N+](=O)[O-] ZINC000357370862 476348241 /nfs/dbraw/zinc/34/82/41/476348241.db2.gz KFIKJGDAFXHCHA-UHFFFAOYSA-N -1 3 334.759 2.855 20 5 EFBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)[C@@H]1Cc2ccccc21 ZINC000354025105 476374442 /nfs/dbraw/zinc/37/44/42/476374442.db2.gz YXNBXPYDYMUSHF-OAHLLOKOSA-N -1 3 334.335 2.685 20 5 EFBDHM C[C@@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000377391893 476379893 /nfs/dbraw/zinc/37/98/93/476379893.db2.gz USPPJFMOJWSGIB-ZBEGNZNMSA-N -1 3 348.380 2.536 20 5 EFBDHM COc1cc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)ccc1[O-] ZINC000357671151 476530100 /nfs/dbraw/zinc/53/01/00/476530100.db2.gz NUTMZMLIKHPCAY-UHFFFAOYSA-N -1 3 330.340 2.974 20 5 EFBDHM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000354507684 476695927 /nfs/dbraw/zinc/69/59/27/476695927.db2.gz IHHHANPEYRKTMO-BREBYQMCSA-N -1 3 330.381 2.837 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-]C[C@H]2CCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000429896327 476712762 /nfs/dbraw/zinc/71/27/62/476712762.db2.gz QASDBMAMDJRYIB-QMMMGPOBSA-N -1 3 340.373 2.678 20 5 EFBDHM Cc1cc(C)c(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cn1 ZINC000452050839 476795340 /nfs/dbraw/zinc/79/53/40/476795340.db2.gz XXFVVAORLROMDB-UHFFFAOYSA-N -1 3 349.412 2.702 20 5 EFBDHM CC(C)C[C@@H](CN1CCCC1)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000452345666 476927007 /nfs/dbraw/zinc/92/70/07/476927007.db2.gz RPKOXCCZPIDRTH-AWEZNQCLSA-N -1 3 335.404 2.541 20 5 EFBDHM Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000366481698 477030346 /nfs/dbraw/zinc/03/03/46/477030346.db2.gz SMMNSNUJYLZDNW-UHFFFAOYSA-N -1 3 339.311 2.646 20 5 EFBDHM CCCCc1cnc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)nc1 ZINC000411079988 477107145 /nfs/dbraw/zinc/10/71/45/477107145.db2.gz QITZQAPKVMGEFE-UHFFFAOYSA-N -1 3 340.343 2.856 20 5 EFBDHM CC1(C)CCc2nc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)sc2C1 ZINC000416362964 477145313 /nfs/dbraw/zinc/14/53/13/477145313.db2.gz YIIAEULXPUFXJQ-UHFFFAOYSA-N -1 3 348.384 2.919 20 5 EFBDHM CC[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000416584953 477228840 /nfs/dbraw/zinc/22/88/40/477228840.db2.gz BDMJZRZJJWFCOY-VIFPVBQESA-N -1 3 340.323 2.852 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]CC(C)(C)c2cccnc2)c([N+](=O)[O-])c1 ZINC000416637259 477245626 /nfs/dbraw/zinc/24/56/26/477245626.db2.gz XTIGSEQYATUPEG-UHFFFAOYSA-N -1 3 349.412 2.554 20 5 EFBDHM COC(=O)c1cnc(SCc2cc(OC)c(F)cc2[N+](=O)[O-])[n-]1 ZINC000432665263 477247093 /nfs/dbraw/zinc/24/70/93/477247093.db2.gz HLHHEJJMPRWUFO-UHFFFAOYSA-N -1 3 341.320 2.545 20 5 EFBDHM O=C(COCC1CCCC1)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000411760563 477357714 /nfs/dbraw/zinc/35/77/14/477357714.db2.gz SGJVBHAKXRNPPB-UHFFFAOYSA-N -1 3 344.371 2.552 20 5 EFBDHM CCC(C)(C)OCC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000411761694 477359452 /nfs/dbraw/zinc/35/94/52/477359452.db2.gz VGFFSPSQOXDBJF-UHFFFAOYSA-N -1 3 332.360 2.551 20 5 EFBDHM O=C([N-][C@H]1COc2ccccc2C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000371524881 477370710 /nfs/dbraw/zinc/37/07/10/477370710.db2.gz KFIGNBDZZMUJQU-CYBMUJFWSA-N -1 3 348.305 2.807 20 5 EFBDHM COC(=O)c1cc(NC(=O)c2ccc(C)cc2[O-])cc([N+](=O)[O-])c1 ZINC000436525475 477503298 /nfs/dbraw/zinc/50/32/98/477503298.db2.gz ALPDEAWZEFDQIO-UHFFFAOYSA-N -1 3 330.296 2.648 20 5 EFBDHM COC(=O)c1cc(NC(=O)c2cccc(C)c2[O-])cc([N+](=O)[O-])c1 ZINC000436536595 477507081 /nfs/dbraw/zinc/50/70/81/477507081.db2.gz NDTUOUILZIWHRN-UHFFFAOYSA-N -1 3 330.296 2.648 20 5 EFBDHM Cc1ccc(NCCCNC(=O)c2ccc(O)cc2[O-])c([N+](=O)[O-])c1 ZINC000436663818 477550745 /nfs/dbraw/zinc/55/07/45/477550745.db2.gz IYYUMWQFHISBPR-UHFFFAOYSA-N -1 3 345.355 2.546 20 5 EFBDHM COc1ccc(CNC(=O)c2ccc(C)c(C)c2[O-])cc1[N+](=O)[O-] ZINC000436684451 477558017 /nfs/dbraw/zinc/55/80/17/477558017.db2.gz AQJPMWMISUYISX-UHFFFAOYSA-N -1 3 330.340 2.856 20 5 EFBDHM CC[C@H](C)N[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccco1 ZINC000436716630 477568385 /nfs/dbraw/zinc/56/83/85/477568385.db2.gz UKBVSZOTLRUFQY-SMDDNHRTSA-N -1 3 347.371 2.753 20 5 EFBDHM Cc1cc(CN(C)C)cc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC000436897936 477629647 /nfs/dbraw/zinc/62/96/47/477629647.db2.gz DGHNMTJJELLGTC-UHFFFAOYSA-N -1 3 329.356 2.923 20 5 EFBDHM Cc1ccc([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2[O-])N(C)C)cc1 ZINC000436928954 477639607 /nfs/dbraw/zinc/63/96/07/477639607.db2.gz UCRGZFLDWBJSJJ-MRXNPFEDSA-N -1 3 343.383 2.642 20 5 EFBDHM O=C(NCCNc1c(Cl)cccc1[N+](=O)[O-])c1ccc([O-])cc1 ZINC000436944930 477645554 /nfs/dbraw/zinc/64/55/54/477645554.db2.gz CZEHYKIQIXEMSG-UHFFFAOYSA-N -1 3 335.747 2.796 20 5 EFBDHM C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])N(C)Cc1ccccc1 ZINC000436969988 477652721 /nfs/dbraw/zinc/65/27/21/477652721.db2.gz BNBTXJLSHSQRMN-CYBMUJFWSA-N -1 3 343.383 2.551 20 5 EFBDHM CCc1occc1C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000437394065 477703317 /nfs/dbraw/zinc/70/33/17/477703317.db2.gz ZMFIOINYNGYBKT-UHFFFAOYSA-N -1 3 326.312 2.815 20 5 EFBDHM CC(C)Nc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)CCC1CC1 ZINC000451099078 477821679 /nfs/dbraw/zinc/82/16/79/477821679.db2.gz ZSFYFCQEOOWBKH-UHFFFAOYSA-N -1 3 327.406 2.957 20 5 EFBDHM CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1ncn(C)n1 ZINC000558351024 477856933 /nfs/dbraw/zinc/85/69/33/477856933.db2.gz DOOUDVVSMDXOAJ-UHFFFAOYSA-N -1 3 335.389 2.724 20 5 EFBDHM O=C([N-]c1cc(-c2nc[nH]n2)ccc1F)c1csc([N+](=O)[O-])c1 ZINC000439249332 477948119 /nfs/dbraw/zinc/94/81/19/477948119.db2.gz SEHSFBSSZMCJOO-UHFFFAOYSA-N -1 3 333.304 2.833 20 5 EFBDHM CCC1([N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)CCCC1 ZINC000451742598 478188341 /nfs/dbraw/zinc/18/83/41/478188341.db2.gz QCAZCIUUUFVUHX-UHFFFAOYSA-N -1 3 346.380 2.744 20 5 EFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H]2CCCC2(F)F)c1[N+](=O)[O-] ZINC000451821115 478215827 /nfs/dbraw/zinc/21/58/27/478215827.db2.gz FWUPXUNOINGLHX-NSHDSACASA-N -1 3 348.371 2.925 20 5 EFBDHM CN(CCOc1cccc(C(=O)[O-])c1)CCc1cccc([N+](=O)[O-])c1 ZINC000570403933 478353308 /nfs/dbraw/zinc/35/33/08/478353308.db2.gz VUXMEGPWNUKSQT-UHFFFAOYSA-N -1 3 344.367 2.846 20 5 EFBDHM O=C([N-]c1ncc(-c2ccccc2F)s1)c1c[nH]nc1[N+](=O)[O-] ZINC000570819934 478455766 /nfs/dbraw/zinc/45/57/66/478455766.db2.gz TWZUWJVAVJANQW-UHFFFAOYSA-N -1 3 333.304 2.833 20 5 EFBDHM COc1cc(CN2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000600675088 478463423 /nfs/dbraw/zinc/46/34/23/478463423.db2.gz OPVNSLVKEGILLY-HZSPNIEDSA-N -1 3 334.372 2.679 20 5 EFBDHM CN(Cc1cn(-c2ccc([O-])cc2[N+](=O)[O-])nn1)C1CCCCC1 ZINC000594651580 478479546 /nfs/dbraw/zinc/47/95/46/478479546.db2.gz DAWGLESEXLZXRN-UHFFFAOYSA-N -1 3 331.376 2.646 20 5 EFBDHM O=c1cc(C=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)nc(C2CC2)[n-]1 ZINC000591238989 478496425 /nfs/dbraw/zinc/49/64/25/478496425.db2.gz DIWRIVWSZNKQQT-ARJAWSKDSA-N -1 3 341.323 2.909 20 5 EFBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]C1CCCCC1 ZINC000594744614 478526089 /nfs/dbraw/zinc/52/60/89/478526089.db2.gz MKXLOUQZTVTSBO-UHFFFAOYSA-N -1 3 335.385 2.754 20 5 EFBDHM CC[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC)[C@H]1CC1(C)C ZINC000591333794 478526423 /nfs/dbraw/zinc/52/64/23/478526423.db2.gz AGHRGFDOCMVNMR-MNOVXSKESA-N -1 3 342.417 2.706 20 5 EFBDHM CC(C)C1(C[N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000594762214 478534029 /nfs/dbraw/zinc/53/40/29/478534029.db2.gz FRIOORCFYHOLFX-UHFFFAOYSA-N -1 3 349.412 2.858 20 5 EFBDHM CC(C)C[C@@H](C)[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594775965 478538570 /nfs/dbraw/zinc/53/85/70/478538570.db2.gz OKNIGZKAOJKGDI-LLVKDONJSA-N -1 3 337.401 2.856 20 5 EFBDHM C[C@@]1([N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])CC=CCC1 ZINC000594784301 478540317 /nfs/dbraw/zinc/54/03/17/478540317.db2.gz SRSOLARZVIVQRZ-MRXNPFEDSA-N -1 3 347.396 2.920 20 5 EFBDHM C[C@]1([N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])CC=CCC1 ZINC000594784300 478540422 /nfs/dbraw/zinc/54/04/22/478540422.db2.gz SRSOLARZVIVQRZ-INIZCTEOSA-N -1 3 347.396 2.920 20 5 EFBDHM CC[C@@H](C)CC[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594816364 478551081 /nfs/dbraw/zinc/55/10/81/478551081.db2.gz BELNNLWFEUWXMT-LLVKDONJSA-N -1 3 337.401 2.858 20 5 EFBDHM CC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000491597144 478597033 /nfs/dbraw/zinc/59/70/33/478597033.db2.gz RPPLBFUTPHTWFL-JOYOIKCWSA-N -1 3 346.380 2.600 20 5 EFBDHM O=c1[nH][n-]cc1CCCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000601195039 478717258 /nfs/dbraw/zinc/71/72/58/478717258.db2.gz BEADJODDQJZYFX-MRVPVSSYSA-N -1 3 330.266 2.538 20 5 EFBDHM CC(C)(C)c1coc([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)n1 ZINC000583389326 478840990 /nfs/dbraw/zinc/84/09/90/478840990.db2.gz JCKNPERDWHXFJH-UHFFFAOYSA-N -1 3 333.300 2.861 20 5 EFBDHM O=C(c1cc(F)c[n-]c1=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000598738717 478998857 /nfs/dbraw/zinc/99/88/57/478998857.db2.gz QLPYPFNSVOIQRJ-GFCCVEGCSA-N -1 3 345.330 2.854 20 5 EFBDHM Cc1cc(N2CCN(C3CCCC3)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000584175188 479042300 /nfs/dbraw/zinc/04/23/00/479042300.db2.gz MDKDTQARAABKLT-UHFFFAOYSA-N -1 3 333.388 2.666 20 5 EFBDHM CC(C)N1CC[C@@H](N(C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000565718345 479070817 /nfs/dbraw/zinc/07/08/17/479070817.db2.gz ILLNMAKMWYIFLV-LLVKDONJSA-N -1 3 341.795 2.509 20 5 EFBDHM Cc1cc([N+](=O)[O-])ccc1-c1noc(Cc2c(C)nc(C)[n-]c2=O)n1 ZINC000547106055 479088404 /nfs/dbraw/zinc/08/84/04/479088404.db2.gz QARPRZGWWNTXAS-UHFFFAOYSA-N -1 3 341.327 2.656 20 5 EFBDHM C[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])N1CCc2sccc2C1 ZINC000596075194 479123408 /nfs/dbraw/zinc/12/34/08/479123408.db2.gz JOQXUBWBNITYPC-SNVBAGLBSA-N -1 3 334.401 2.616 20 5 EFBDHM O=c1[n-]ccc(Nc2ccc(OC[C@H]3CCCO3)cc2)c1[N+](=O)[O-] ZINC000596080536 479126496 /nfs/dbraw/zinc/12/64/96/479126496.db2.gz IIEWKNGKSONOFL-CYBMUJFWSA-N -1 3 331.328 2.997 20 5 EFBDHM O=c1[n-]ccc(NCc2ccnc(N3CCCCC3)c2)c1[N+](=O)[O-] ZINC000596081460 479127284 /nfs/dbraw/zinc/12/72/84/479127284.db2.gz XODZUUVBVKGQBY-UHFFFAOYSA-N -1 3 329.360 2.693 20 5 EFBDHM O=c1[n-]ccc(NC[C@H]2CCN(c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000596087823 479130724 /nfs/dbraw/zinc/13/07/24/479130724.db2.gz JDJRFWYUYGMVIC-LLVKDONJSA-N -1 3 332.335 2.773 20 5 EFBDHM Cc1ccc([C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])N2CCCC2)o1 ZINC000596108388 479141899 /nfs/dbraw/zinc/14/18/99/479141899.db2.gz BMEJHDUGCUDUQF-ZDUSSCGKSA-N -1 3 332.360 2.846 20 5 EFBDHM O=c1[n-]ccc(N[C@@H]2CCCN(c3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC000596131596 479156554 /nfs/dbraw/zinc/15/65/54/479156554.db2.gz AHTZECXJRSYCPJ-GFCCVEGCSA-N -1 3 332.335 2.915 20 5 EFBDHM COC(=O)C(C)(C)c1ccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000596143036 479161545 /nfs/dbraw/zinc/16/15/45/479161545.db2.gz WTXUWXCVRHBENA-UHFFFAOYSA-N -1 3 331.328 2.890 20 5 EFBDHM CN(Cc1nc(C(F)(F)F)cs1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596147037 479164305 /nfs/dbraw/zinc/16/43/05/479164305.db2.gz LOBRNQYUCGVAHE-UHFFFAOYSA-N -1 3 334.279 2.807 20 5 EFBDHM CC(=O)c1cccc(NC(=O)CNc2ccccc2[N+](=O)[O-])c1[O-] ZINC000569762787 479169612 /nfs/dbraw/zinc/16/96/12/479169612.db2.gz LOTNRKVQDRLJSN-UHFFFAOYSA-N -1 3 329.312 2.554 20 5 EFBDHM CC[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000596191723 479190307 /nfs/dbraw/zinc/19/03/07/479190307.db2.gz CWVUUIRORCBDMB-HNNXBMFYSA-N -1 3 342.399 2.796 20 5 EFBDHM O=c1[n-]ccc(N2CCO[C@H](c3cccc(Cl)c3)C2)c1[N+](=O)[O-] ZINC000596195307 479192171 /nfs/dbraw/zinc/19/21/71/479192171.db2.gz MANYNRIGYWIACT-ZDUSSCGKSA-N -1 3 335.747 2.927 20 5 EFBDHM O=c1[n-]ccc(N2CCC(N3CCc4ccccc43)CC2)c1[N+](=O)[O-] ZINC000596225158 479209727 /nfs/dbraw/zinc/20/97/27/479209727.db2.gz AVXOTPCIOLSVNO-UHFFFAOYSA-N -1 3 340.383 2.727 20 5 EFBDHM Cc1ccncc1[C@@H](C)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000611292036 479339813 /nfs/dbraw/zinc/33/98/13/479339813.db2.gz IXFSMGWGKXLSQN-GFCCVEGCSA-N -1 3 335.385 2.646 20 5 EFBDHM O=[N+]([O-])c1cc(COc2ccc3c([O-])coc3c2)c2c(c1)COCO2 ZINC000603676982 479419139 /nfs/dbraw/zinc/41/91/39/479419139.db2.gz QPJCZQMQOPNOFG-UHFFFAOYSA-N -1 3 343.291 2.615 20 5 EFBDHM CN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1Cc2ccccc2C1 ZINC000593735750 479439276 /nfs/dbraw/zinc/43/92/76/479439276.db2.gz VOKQNIXXVKXHDH-UHFFFAOYSA-N -1 3 326.352 2.892 20 5 EFBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000593757173 479450119 /nfs/dbraw/zinc/45/01/19/479450119.db2.gz RISJYQVJNSWVKZ-JKSUJKDBSA-N -1 3 348.399 2.925 20 5 EFBDHM COC(=O)c1cc([N-]C(=O)c2nc(C)c(C)s2)cc([N+](=O)[O-])c1 ZINC000618461424 479455806 /nfs/dbraw/zinc/45/58/06/479455806.db2.gz DELSIXFHDRUXBB-UHFFFAOYSA-N -1 3 335.341 2.707 20 5 EFBDHM Cc1cc(S(=O)(=O)[N-]C2(C(F)F)CCCC2)ccc1[N+](=O)[O-] ZINC000588906011 479456015 /nfs/dbraw/zinc/45/60/15/479456015.db2.gz BDAXQXVNMQFKEX-UHFFFAOYSA-N -1 3 334.344 2.759 20 5 EFBDHM CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000603957520 479457143 /nfs/dbraw/zinc/45/71/43/479457143.db2.gz QLIVLQDXKXPLFP-MFKMUULPSA-N -1 3 330.381 2.981 20 5 EFBDHM C[C@@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)o1 ZINC000604040603 479467290 /nfs/dbraw/zinc/46/72/90/479467290.db2.gz NEIKEPNJCJCCJF-YGRLFVJLSA-N -1 3 336.369 2.790 20 5 EFBDHM CC(C)[C@@]1(C(=O)[O-])CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000575929096 479505262 /nfs/dbraw/zinc/50/52/62/479505262.db2.gz NOTVGGXMMPAMOS-MRXNPFEDSA-N -1 3 333.344 2.669 20 5 EFBDHM CC(C)CN1CCCC[C@H]1CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000575992134 479518333 /nfs/dbraw/zinc/51/83/33/479518333.db2.gz RENPBJZTUSDOMC-ZDUSSCGKSA-N -1 3 336.392 2.610 20 5 EFBDHM Cc1cc(S(=O)(=O)[N-]C(C)(C)CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000614856843 479529299 /nfs/dbraw/zinc/52/92/99/479529299.db2.gz OJEICCQMXNEGAY-UHFFFAOYSA-N -1 3 340.323 2.913 20 5 EFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1CC12CCCCC2 ZINC000619494859 479811861 /nfs/dbraw/zinc/81/18/61/479811861.db2.gz QOXOPBGTNLNFQJ-ZDUSSCGKSA-N -1 3 340.401 2.605 20 5 EFBDHM CCc1ccc(CC[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1 ZINC000609898641 480219183 /nfs/dbraw/zinc/21/91/83/480219183.db2.gz BQNKQRUXRQYEPG-UHFFFAOYSA-N -1 3 348.424 2.987 20 5 EFBDHM CCc1ccccc1C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000610135808 480243494 /nfs/dbraw/zinc/24/34/94/480243494.db2.gz OAYVYQFMCLRLOW-UHFFFAOYSA-N -1 3 334.397 2.944 20 5 EFBDHM Cc1cccc([C@H](C)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000610161757 480245784 /nfs/dbraw/zinc/24/57/84/480245784.db2.gz IGMPESYUQVRJAH-CYBMUJFWSA-N -1 3 334.397 2.985 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@]2(C)CCCS2)c1C ZINC000121566921 526067806 /nfs/dbraw/zinc/06/78/06/526067806.db2.gz CKRYETRBABJQBH-AWEZNQCLSA-N -1 3 344.458 2.776 20 5 EFBDHM O=C([N-]c1cccc(Cl)c1-n1cncn1)c1ccc([N+](=O)[O-])o1 ZINC000076017843 527345231 /nfs/dbraw/zinc/34/52/31/527345231.db2.gz MQQZFGUHDOXFJM-UHFFFAOYSA-N -1 3 333.691 2.674 20 5 EFBDHM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1ncccc1Cl ZINC000180191980 527399550 /nfs/dbraw/zinc/39/95/50/527399550.db2.gz WNPHGXIUZLPFEL-UHFFFAOYSA-N -1 3 341.776 2.628 20 5 EFBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000103155455 527400893 /nfs/dbraw/zinc/40/08/93/527400893.db2.gz BMOJIZBCVLLGPB-UHFFFAOYSA-N -1 3 344.751 2.866 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000157398312 527405731 /nfs/dbraw/zinc/40/57/31/527405731.db2.gz ZMLUYDYYBJWTHR-IAOVAPTHSA-N -1 3 344.392 2.602 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C1(c2cccc(F)c2)CC1 ZINC000151655335 527406046 /nfs/dbraw/zinc/40/60/46/527406046.db2.gz GPBHOKMGSMEIDB-UHFFFAOYSA-N -1 3 336.344 2.702 20 5 EFBDHM O=C([N-]c1nncn1-c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000181128658 527539405 /nfs/dbraw/zinc/53/94/05/527539405.db2.gz QNVHTCORFSECSU-UHFFFAOYSA-N -1 3 327.275 2.567 20 5 EFBDHM Cn1ncc([N+](=O)[O-])c1C(=O)[N-]c1cc(C(F)(F)F)ccc1F ZINC000119225749 527576136 /nfs/dbraw/zinc/57/61/36/527576136.db2.gz IZQSJTSUGOYXRO-UHFFFAOYSA-N -1 3 332.213 2.739 20 5 EFBDHM CC(C)c1csc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000154072534 528236503 /nfs/dbraw/zinc/23/65/03/528236503.db2.gz YFCQXZAXWDHDFI-UHFFFAOYSA-N -1 3 341.414 2.653 20 5 EFBDHM CC1(C)Cc2cc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)ccc2O1 ZINC000346007837 534949514 /nfs/dbraw/zinc/94/95/14/534949514.db2.gz AGCRRMZDGDQBGS-UHFFFAOYSA-N -1 3 329.312 2.661 20 5 EFBDHM CC(C)c1[nH]nc(C(=O)N=c2cc(-c3ccccc3)o[n-]2)c1[N+](=O)[O-] ZINC000434398373 535320722 /nfs/dbraw/zinc/32/07/22/535320722.db2.gz JTDRXFBOFFDTRH-UHFFFAOYSA-N -1 3 341.327 2.771 20 5 EFBDHM CCS[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000360467091 535713032 /nfs/dbraw/zinc/71/30/32/535713032.db2.gz CRPZCXZMEJYGAB-WCQYABFASA-N -1 3 344.458 2.856 20 5 EFBDHM COC(=O)c1cnc(SCc2nc3cc([N+](=O)[O-])ccc3o2)[n-]1 ZINC000193544540 536862171 /nfs/dbraw/zinc/86/21/71/536862171.db2.gz SIUCLQKDFVFYEE-UHFFFAOYSA-N -1 3 334.313 2.538 20 5 EFBDHM COc1cc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc(OC)c1[O-] ZINC000754272556 575413870 /nfs/dbraw/zinc/41/38/70/575413870.db2.gz TVJFYLASJINWJO-UHFFFAOYSA-N -1 3 333.296 2.675 20 5 EFBDHM Cc1nc([N-]C(=O)c2scnc2Br)ccc1[N+](=O)[O-] ZINC000754339055 575422479 /nfs/dbraw/zinc/42/24/79/575422479.db2.gz BGOILKMULBTUHJ-UHFFFAOYSA-N -1 3 343.162 2.770 20 5 EFBDHM O=[N+]([O-])c1ccc(Cl)c(C[N-]S(=O)(=O)c2ccccc2F)c1 ZINC000757349545 575837965 /nfs/dbraw/zinc/83/79/65/575837965.db2.gz UIALHYFMSSPBQW-UHFFFAOYSA-N -1 3 344.751 2.866 20 5 EFBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc([O-])cc1C ZINC000758514736 575871277 /nfs/dbraw/zinc/87/12/77/575871277.db2.gz HVGBGTUBYBWMPQ-UHFFFAOYSA-N -1 3 344.323 2.713 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccc([O-])cc1C ZINC000758531444 575871740 /nfs/dbraw/zinc/87/17/40/575871740.db2.gz NDGIRZQYONVMTR-UHFFFAOYSA-N -1 3 344.323 2.713 20 5 EFBDHM O=Cc1n[n-]c2cc(C(=O)OCc3ccc([N+](=O)[O-])cc3)ccc12 ZINC000766179795 577117536 /nfs/dbraw/zinc/11/75/36/577117536.db2.gz ZVBFCOVTTBPBRS-UHFFFAOYSA-N -1 3 325.280 2.641 20 5 EFBDHM O=Cc1[n-]nc2cc(C(=O)OCc3ccc([N+](=O)[O-])cc3)ccc12 ZINC000766179795 577117537 /nfs/dbraw/zinc/11/75/37/577117537.db2.gz ZVBFCOVTTBPBRS-UHFFFAOYSA-N -1 3 325.280 2.641 20 5 EFBDHM O=Cc1n[n-]c2cc(C(=O)OCc3cccc([N+](=O)[O-])c3)ccc12 ZINC000766186913 577118936 /nfs/dbraw/zinc/11/89/36/577118936.db2.gz GNINURMCTJUKEO-UHFFFAOYSA-N -1 3 325.280 2.641 20 5 EFBDHM O=Cc1[n-]nc2cc(C(=O)OCc3cccc([N+](=O)[O-])c3)ccc12 ZINC000766186913 577118937 /nfs/dbraw/zinc/11/89/37/577118937.db2.gz GNINURMCTJUKEO-UHFFFAOYSA-N -1 3 325.280 2.641 20 5 EFBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]Cc2ccc(Cl)s2)cs1 ZINC000768805962 577304232 /nfs/dbraw/zinc/30/42/32/577304232.db2.gz PNSGHOLSHNPCEM-UHFFFAOYSA-N -1 3 338.819 2.850 20 5 EFBDHM CN(C)Cc1ccccc1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768863388 577311431 /nfs/dbraw/zinc/31/14/31/577311431.db2.gz UFDLINNHUAEKHL-UHFFFAOYSA-N -1 3 341.414 2.519 20 5 EFBDHM CCc1ccc(C(=O)[N-]N2CCc3ccccc3C2=O)cc1[N+](=O)[O-] ZINC000770548717 581108695 /nfs/dbraw/zinc/10/86/95/581108695.db2.gz BEOBPRPPXUFXJJ-UHFFFAOYSA-N -1 3 339.351 2.501 20 5 EFBDHM COc1cccc(C(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)c1[O-] ZINC000773988787 581477143 /nfs/dbraw/zinc/47/71/43/581477143.db2.gz PVWSEJRAQBWZBV-UHFFFAOYSA-N -1 3 328.324 2.820 20 5 EFBDHM COc1ccc([C@@H](NCc2cccc([N+](=O)[O-])c2C)C(=O)[O-])cc1 ZINC000737973164 581506441 /nfs/dbraw/zinc/50/64/41/581506441.db2.gz YHFUBSOPIACWSY-MRXNPFEDSA-N -1 3 330.340 2.827 20 5 EFBDHM Cc1cccc([C@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1C ZINC000737390426 599066740 /nfs/dbraw/zinc/06/67/40/599066740.db2.gz TWEPVOLWQHQXRB-NSHDSACASA-N -1 3 339.359 2.960 20 5 EFBDHM Cc1cccc([C@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1C ZINC000737390426 599066743 /nfs/dbraw/zinc/06/67/43/599066743.db2.gz TWEPVOLWQHQXRB-NSHDSACASA-N -1 3 339.359 2.960 20 5 EFBDHM CN(CCc1cccs1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821607667 599087931 /nfs/dbraw/zinc/08/79/31/599087931.db2.gz YRCZNYCNSCLVLC-UHFFFAOYSA-N -1 3 330.373 2.515 20 5 EFBDHM CN(CCc1cccs1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821607667 599087933 /nfs/dbraw/zinc/08/79/33/599087933.db2.gz YRCZNYCNSCLVLC-UHFFFAOYSA-N -1 3 330.373 2.515 20 5 EFBDHM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@@H]1c1ccccc1 ZINC000820776720 599095564 /nfs/dbraw/zinc/09/55/64/599095564.db2.gz NAQQGGUEOWYAIA-BZNIZROVSA-N -1 3 336.355 2.972 20 5 EFBDHM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@@H]1c1ccccc1 ZINC000820776720 599095567 /nfs/dbraw/zinc/09/55/67/599095567.db2.gz NAQQGGUEOWYAIA-BZNIZROVSA-N -1 3 336.355 2.972 20 5 EFBDHM CS[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000737180462 599233238 /nfs/dbraw/zinc/23/32/38/599233238.db2.gz QWRRRWPALXFEPV-ONGXEEELSA-N -1 3 334.405 2.861 20 5 EFBDHM CS[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000737180462 599233241 /nfs/dbraw/zinc/23/32/41/599233241.db2.gz QWRRRWPALXFEPV-ONGXEEELSA-N -1 3 334.405 2.861 20 5 EFBDHM CS[C@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000737178924 599233263 /nfs/dbraw/zinc/23/32/63/599233263.db2.gz GBRVFKKRJJQXQM-QWRGUYRKSA-N -1 3 334.405 2.861 20 5 EFBDHM CS[C@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000737178924 599233266 /nfs/dbraw/zinc/23/32/66/599233266.db2.gz GBRVFKKRJJQXQM-QWRGUYRKSA-N -1 3 334.405 2.861 20 5 EFBDHM CC[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CCCCC1 ZINC000736367541 598246524 /nfs/dbraw/zinc/24/65/24/598246524.db2.gz BVVKDPDQZXORSJ-ZDUSSCGKSA-N -1 3 331.380 2.941 20 5 EFBDHM CC[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CCCCC1 ZINC000736367541 598246526 /nfs/dbraw/zinc/24/65/26/598246526.db2.gz BVVKDPDQZXORSJ-ZDUSSCGKSA-N -1 3 331.380 2.941 20 5 EFBDHM Cc1ccc2c(c1)[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)CC2 ZINC000737371893 598388567 /nfs/dbraw/zinc/38/85/67/598388567.db2.gz PECZYYYMYRHPET-CQSZACIVSA-N -1 3 337.343 2.578 20 5 EFBDHM Cc1ccc2c(c1)[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)CC2 ZINC000737371893 598388568 /nfs/dbraw/zinc/38/85/68/598388568.db2.gz PECZYYYMYRHPET-CQSZACIVSA-N -1 3 337.343 2.578 20 5 EFBDHM CCS[C@H]1CCCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736668155 598748990 /nfs/dbraw/zinc/74/89/90/598748990.db2.gz XXPPDYKKTOQGPW-LBPRGKRZSA-N -1 3 348.432 2.887 20 5 EFBDHM CCS[C@H]1CCCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736668155 598748992 /nfs/dbraw/zinc/74/89/92/598748992.db2.gz XXPPDYKKTOQGPW-LBPRGKRZSA-N -1 3 348.432 2.887 20 5 EFBDHM CC[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1 ZINC000820909643 599316015 /nfs/dbraw/zinc/31/60/15/599316015.db2.gz ZJHQBRSWODGJEY-LLVKDONJSA-N -1 3 339.359 2.776 20 5 EFBDHM CC[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccccc1 ZINC000820909643 599316017 /nfs/dbraw/zinc/31/60/17/599316017.db2.gz ZJHQBRSWODGJEY-LLVKDONJSA-N -1 3 339.359 2.776 20 5 EFBDHM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736237161 599321793 /nfs/dbraw/zinc/32/17/93/599321793.db2.gz NSOVGXGTSBAJRE-SUNKGSAMSA-N -1 3 328.376 2.932 20 5 EFBDHM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736237161 599321796 /nfs/dbraw/zinc/32/17/96/599321796.db2.gz NSOVGXGTSBAJRE-SUNKGSAMSA-N -1 3 328.376 2.932 20 5 EFBDHM Cc1cnc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000822394513 599355979 /nfs/dbraw/zinc/35/59/79/599355979.db2.gz BXHAGFACNXWZKN-JTQLQIEISA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1cnc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC000822394513 599355981 /nfs/dbraw/zinc/35/59/81/599355981.db2.gz BXHAGFACNXWZKN-JTQLQIEISA-N -1 3 325.332 2.651 20 5 EFBDHM C[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000736139735 599405716 /nfs/dbraw/zinc/40/57/16/599405716.db2.gz XIHKYVORYJKOBV-QMMMGPOBSA-N -1 3 345.750 2.996 20 5 EFBDHM C[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000736139735 599405719 /nfs/dbraw/zinc/40/57/19/599405719.db2.gz XIHKYVORYJKOBV-QMMMGPOBSA-N -1 3 345.750 2.996 20 5 EFBDHM COc1ccc([N+](=O)[O-])c(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821845766 599471599 /nfs/dbraw/zinc/47/15/99/599471599.db2.gz IYFLBLAIXJDYCI-JTQLQIEISA-N -1 3 340.343 2.957 20 5 EFBDHM COc1ccc([N+](=O)[O-])c(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821845766 599471602 /nfs/dbraw/zinc/47/16/02/599471602.db2.gz IYFLBLAIXJDYCI-JTQLQIEISA-N -1 3 340.343 2.957 20 5 EFBDHM O=[N+]([O-])c1ccc(SCc2ccc(-c3nnn[n-]3)cc2F)nc1 ZINC000823643862 607466920 /nfs/dbraw/zinc/46/69/20/607466920.db2.gz CZKCLRGKPJPYHT-UHFFFAOYSA-N -1 3 332.320 2.601 20 5 EFBDHM O=[N+]([O-])c1ccc(SCc2ccc(-c3nn[n-]n3)cc2F)nc1 ZINC000823643862 607466922 /nfs/dbraw/zinc/46/69/22/607466922.db2.gz CZKCLRGKPJPYHT-UHFFFAOYSA-N -1 3 332.320 2.601 20 5 EFBDHM CN(C)Cc1cccc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000830620227 600959788 /nfs/dbraw/zinc/95/97/88/600959788.db2.gz RVARLBVIUTXMMN-UHFFFAOYSA-N -1 3 343.339 2.607 20 5 EFBDHM CO[C@@H](CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000821677425 607496299 /nfs/dbraw/zinc/49/62/99/607496299.db2.gz WRKKVGLEAGYVDM-HNNXBMFYSA-N -1 3 340.343 2.575 20 5 EFBDHM Cc1nn(CN2CCCC[C@H]2CC(=O)[O-])c2ccc([N+](=O)[O-])cc12 ZINC000833016601 602190406 /nfs/dbraw/zinc/19/04/06/602190406.db2.gz BHKOOJHGJOGBJQ-LBPRGKRZSA-N -1 3 332.360 2.540 20 5 EFBDHM O=C([O-])N1CC(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000833278608 604420967 /nfs/dbraw/zinc/42/09/67/604420967.db2.gz YOCXCEMWXGJIOZ-UHFFFAOYSA-N -1 3 333.369 2.775 20 5 EFBDHM CCOc1ccc([C@@H](C)N[C@@H]2CCCN(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000833664198 604512464 /nfs/dbraw/zinc/51/24/64/604512464.db2.gz RBTFPBIDBCIPLN-DGCLKSJQSA-N -1 3 337.376 2.787 20 5 EFBDHM CC(C)(C)c1cnc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])o1 ZINC000819958106 606138289 /nfs/dbraw/zinc/13/82/89/606138289.db2.gz IFJOREIGZXHUCV-UHFFFAOYSA-N -1 3 343.347 2.673 20 5 EFBDHM CC(C)(C)c1cnc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])o1 ZINC000819958106 606138291 /nfs/dbraw/zinc/13/82/91/606138291.db2.gz IFJOREIGZXHUCV-UHFFFAOYSA-N -1 3 343.347 2.673 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2noc(-c3cc(-c4nnn[n-]4)cs3)n2)c1 ZINC000823646074 606471341 /nfs/dbraw/zinc/47/13/41/606471341.db2.gz ZPEYYKLQULARJG-UHFFFAOYSA-N -1 3 341.312 2.553 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2noc(-c3cc(-c4nn[n-]n4)cs3)n2)c1 ZINC000823646074 606471343 /nfs/dbraw/zinc/47/13/43/606471343.db2.gz ZPEYYKLQULARJG-UHFFFAOYSA-N -1 3 341.312 2.553 20 5 EFBDHM O=[N+]([O-])c1cc(Cl)cnc1N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826498304 607935964 /nfs/dbraw/zinc/93/59/64/607935964.db2.gz OZEYHVLBXZRWKO-UHFFFAOYSA-N -1 3 343.734 2.518 20 5 EFBDHM O=[N+]([O-])c1cc(Cl)cnc1N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826498304 607935965 /nfs/dbraw/zinc/93/59/65/607935965.db2.gz OZEYHVLBXZRWKO-UHFFFAOYSA-N -1 3 343.734 2.518 20 5 EFBDHM CC(=O)c1cc([N+](=O)[O-])ccc1OCc1ccccc1-c1nnn[n-]1 ZINC000824010846 607972901 /nfs/dbraw/zinc/97/29/01/607972901.db2.gz SHZKLCCQLOKQKO-UHFFFAOYSA-N -1 3 339.311 2.557 20 5 EFBDHM CC(=O)c1cc([N+](=O)[O-])ccc1OCc1ccccc1-c1nn[n-]n1 ZINC000824010846 607972902 /nfs/dbraw/zinc/97/29/02/607972902.db2.gz SHZKLCCQLOKQKO-UHFFFAOYSA-N -1 3 339.311 2.557 20 5 EFBDHM O=[N+]([O-])c1ccc(Oc2ccc3nccnc3c2)c(-c2nnn[n-]2)c1 ZINC000826499574 608017613 /nfs/dbraw/zinc/01/76/13/608017613.db2.gz NSDDCNMLKONZNZ-UHFFFAOYSA-N -1 3 335.283 2.510 20 5 EFBDHM O=[N+]([O-])c1ccc(Oc2ccc3nccnc3c2)c(-c2nn[n-]n2)c1 ZINC000826499574 608017614 /nfs/dbraw/zinc/01/76/14/608017614.db2.gz NSDDCNMLKONZNZ-UHFFFAOYSA-N -1 3 335.283 2.510 20 5 EFBDHM Cc1c(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cnn1CC(C)C ZINC000826243114 608306642 /nfs/dbraw/zinc/30/66/42/608306642.db2.gz UVGRFDIPKMQLKY-UHFFFAOYSA-N -1 3 342.363 2.679 20 5 EFBDHM Cc1c(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cnn1CC(C)C ZINC000826243114 608306644 /nfs/dbraw/zinc/30/66/44/608306644.db2.gz UVGRFDIPKMQLKY-UHFFFAOYSA-N -1 3 342.363 2.679 20 5 EFBDHM Cc1c(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cnn1CC(C)C ZINC000826242812 608306909 /nfs/dbraw/zinc/30/69/09/608306909.db2.gz HKXAXJMANSTHBZ-UHFFFAOYSA-N -1 3 342.363 2.679 20 5 EFBDHM Cc1c(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cnn1CC(C)C ZINC000826242812 608306910 /nfs/dbraw/zinc/30/69/10/608306910.db2.gz HKXAXJMANSTHBZ-UHFFFAOYSA-N -1 3 342.363 2.679 20 5 EFBDHM Cc1c(OCc2cccc(-c3nnn[n-]3)c2F)cccc1[N+](=O)[O-] ZINC000826243217 608671913 /nfs/dbraw/zinc/67/19/13/608671913.db2.gz ZFVUIEMGGWGOMN-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1c(OCc2cccc(-c3nn[n-]n3)c2F)cccc1[N+](=O)[O-] ZINC000826243217 608671914 /nfs/dbraw/zinc/67/19/14/608671914.db2.gz ZFVUIEMGGWGOMN-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCCc1cccs1 ZINC000826497635 608797850 /nfs/dbraw/zinc/79/78/50/608797850.db2.gz NXYPQINCUKPCIA-UHFFFAOYSA-N -1 3 330.373 2.881 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCCc1cccs1 ZINC000826497635 608797851 /nfs/dbraw/zinc/79/78/51/608797851.db2.gz NXYPQINCUKPCIA-UHFFFAOYSA-N -1 3 330.373 2.881 20 5 EFBDHM CC/C(C)=C\C(=O)NCCC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001089934591 1259666338 /nfs/dbraw/zinc/66/63/38/1259666338.db2.gz VGMBYGMIOJJVLS-BENRWUELSA-N -1 3 348.403 2.750 20 5 EFBDHM CC(=O)N(CCCNc1cc[n-]c(=O)c1[N+](=O)[O-])CC1CCCC1 ZINC001090182976 1270989864 /nfs/dbraw/zinc/98/98/64/1270989864.db2.gz BKFABUALKYUYNN-UHFFFAOYSA-N -1 3 336.392 2.536 20 5 EFBDHM CC(C)CCCC(=O)N(C)CCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001109636085 1274506294 /nfs/dbraw/zinc/50/62/94/1274506294.db2.gz JYUFVODNAMUWLC-UHFFFAOYSA-N -1 3 338.408 2.782 20 5 EFBDHM O=C(CC1CCCCC1)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001110052638 1275059837 /nfs/dbraw/zinc/05/98/37/1275059837.db2.gz VJBMFSFYJFSTIZ-UHFFFAOYSA-N -1 3 348.403 2.727 20 5 EFBDHM C[C@H](OC(=O)c1cc2occc2[n-]1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000786032439 1275279572 /nfs/dbraw/zinc/27/95/72/1275279572.db2.gz BLWOWMUSSOLLPN-VIFPVBQESA-N -1 3 343.295 2.853 20 5 EFBDHM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1c([O-])cccc1Cl ZINC000820511165 1277201633 /nfs/dbraw/zinc/20/16/33/1277201633.db2.gz XJJYQRNENWKSBN-UHFFFAOYSA-N -1 3 325.683 2.927 20 5 EFBDHM O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1ncccc1[O-] ZINC000790481515 1277593369 /nfs/dbraw/zinc/59/33/69/1277593369.db2.gz CNDPVTCKRMOYMO-UHFFFAOYSA-N -1 3 325.683 2.669 20 5 EFBDHM O=C(CC1CCCC1)NC[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001091307520 1280330652 /nfs/dbraw/zinc/33/06/52/1280330652.db2.gz IIWZOENHRGBKNC-BETUJISGSA-N -1 3 348.403 2.582 20 5 EFBDHM CC(C(=O)NC[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1)=C1CCC1 ZINC001091342458 1280401445 /nfs/dbraw/zinc/40/14/45/1280401445.db2.gz SDMHJTAZKMHVMX-BJHJDKERSA-N -1 3 346.387 2.503 20 5 EFBDHM C=C/C(C)=C/CC(=O)NC[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001091500194 1280767167 /nfs/dbraw/zinc/76/71/67/1280767167.db2.gz RMGBOOXUVJZTQE-FGUSQIETSA-N -1 3 346.387 2.525 20 5 EFBDHM CCCC(=O)N(C)CCCCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001091726658 1281583878 /nfs/dbraw/zinc/58/38/78/1281583878.db2.gz AIMVCXMMSVNKGQ-UHFFFAOYSA-N -1 3 338.408 2.926 20 5 EFBDHM CCCCC(=O)NC1CC2(C1)CC(Nc1cc[n-]c(=O)c1[N+](=O)[O-])C2 ZINC001093419507 1283981005 /nfs/dbraw/zinc/98/10/05/1283981005.db2.gz HNFFMMZFRAJEAB-UHFFFAOYSA-N -1 3 348.403 2.725 20 5 EFBDHM CC(C)c1ccccc1C(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094208458 1284839417 /nfs/dbraw/zinc/83/94/17/1284839417.db2.gz SIZFMVHNGGPNQU-UHFFFAOYSA-N -1 3 344.371 2.661 20 5 EFBDHM CC(C)CC(C)(C)C(=O)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094570806 1285333328 /nfs/dbraw/zinc/33/33/28/1285333328.db2.gz UNIWLFJTAXFBGQ-UHFFFAOYSA-N -1 3 338.408 2.686 20 5 EFBDHM CCCCC(=O)NCCCCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094923800 1286185517 /nfs/dbraw/zinc/18/55/17/1286185517.db2.gz IOESRFCPYNRTDW-UHFFFAOYSA-N -1 3 338.408 2.974 20 5 EFBDHM CCCCCC(=O)N1CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001095213683 1286679163 /nfs/dbraw/zinc/67/91/63/1286679163.db2.gz XHBHLFJYKWUVHX-UHFFFAOYSA-N -1 3 336.392 2.679 20 5 EFBDHM COC(=O)c1cc(C(=O)O[C@@H](C)c2cc([N+](=O)[O-])ccc2C)c[n-]1 ZINC000814530470 1286744139 /nfs/dbraw/zinc/74/41/39/1286744139.db2.gz UXDLFYNTGHHWJS-JTQLQIEISA-N -1 3 332.312 2.936 20 5 EFBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cn(Cc2ccccc2)nn1 ZINC000247349954 1290328701 /nfs/dbraw/zinc/32/87/01/1290328701.db2.gz VXMLLQMURICKLU-UHFFFAOYSA-N -1 3 341.302 2.626 20 5 EFBDHM Cn1ccc2cc(-c3noc(-c4cc([N+](=O)[O-])c[n-]c4=O)n3)ccc21 ZINC001212935617 1290900968 /nfs/dbraw/zinc/90/09/68/1290900968.db2.gz CTKKFPUWJWLAJR-UHFFFAOYSA-N -1 3 337.295 2.904 20 5 EFBDHM COc1ccc(F)cc1-c1noc(-c2cc([N+](=O)[O-])c[n-]c2=O)n1 ZINC001212935561 1290901836 /nfs/dbraw/zinc/90/18/36/1290901836.db2.gz AEKUXAOWEVEURU-UHFFFAOYSA-N -1 3 332.247 2.560 20 5 EFBDHM Cc1ccc(-c2noc(-c3cc([N+](=O)[O-])c[n-]c3=O)n2)c(F)c1F ZINC001212935922 1290902205 /nfs/dbraw/zinc/90/22/05/1290902205.db2.gz UUIVDNDWTCZKOY-UHFFFAOYSA-N -1 3 334.238 2.999 20 5 EFBDHM COc1ccc(-c2noc(-c3cc([N+](=O)[O-])c[n-]c3=O)n2)cc1F ZINC001212935782 1290902241 /nfs/dbraw/zinc/90/22/41/1290902241.db2.gz MUYWZIRPDDIJLN-UHFFFAOYSA-N -1 3 332.247 2.560 20 5 EFBDHM Cc1cc(-c2noc(-c3cc([N+](=O)[O-])c[n-]c3=O)n2)c(F)cc1F ZINC001212936984 1290904339 /nfs/dbraw/zinc/90/43/39/1290904339.db2.gz IAPDJRUHBGXCMK-UHFFFAOYSA-N -1 3 334.238 2.999 20 5 EFBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nc(-c2ccnc3ccccc32)no1 ZINC001212937030 1290904658 /nfs/dbraw/zinc/90/46/58/1290904658.db2.gz KGRCHXXNMZZOKL-UHFFFAOYSA-N -1 3 335.279 2.961 20 5 EFBDHM C=C/C(C)=C\CC(=O)N[C@H]1C[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001114804967 1292135482 /nfs/dbraw/zinc/13/54/82/1292135482.db2.gz PNAGNMZVNZJPGX-ZLFGCLGPSA-N -1 3 346.387 2.525 20 5 EFBDHM COC(C[C@H](C)Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1)OC ZINC001233500905 1312944452 /nfs/dbraw/zinc/94/44/52/1312944452.db2.gz WBCZSGIIGXEOFO-ZETCQYMHSA-N -1 3 329.740 2.901 20 5 EFBDHM CCOC(=O)C1CC(Oc2nc3cc(Cl)c([N+](=O)[O-])cc3[n-]2)C1 ZINC001233497095 1312942949 /nfs/dbraw/zinc/94/29/49/1312942949.db2.gz FAONJXKMHMUKOH-UHFFFAOYSA-N -1 3 339.735 2.845 20 5 EFBDHM C=CC(=O)OC[C@H](C)Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233499714 1312943968 /nfs/dbraw/zinc/94/39/68/1312943968.db2.gz PQHDGOJYHILQIF-ZETCQYMHSA-N -1 3 325.708 2.621 20 5 EFBDHM CC(=O)N1CCC[C@@H](Oc2nc3cc(Cl)c([N+](=O)[O-])cc3[n-]2)C1 ZINC001233499224 1312943977 /nfs/dbraw/zinc/94/39/77/1312943977.db2.gz NJFUICGQNILUMS-SECBINFHSA-N -1 3 338.751 2.514 20 5 EFBDHM CO[C@@H](C)CO[C@@H](C)COc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233505676 1312946193 /nfs/dbraw/zinc/94/61/93/1312946193.db2.gz CTBIHHQCAYLLMR-IUCAKERBSA-N -1 3 343.767 2.943 20 5 EFBDHM CO[C@@H](C)CO[C@@H](C)COc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233505676 1312946197 /nfs/dbraw/zinc/94/61/97/1312946197.db2.gz CTBIHHQCAYLLMR-IUCAKERBSA-N -1 3 343.767 2.943 20 5 EFBDHM Cc1c([N+](=O)[O-])cc(C(=O)NCc2ccc([O-])c(F)c2)cc1[N+](=O)[O-] ZINC000133009188 1293749951 /nfs/dbraw/zinc/74/99/51/1293749951.db2.gz ANGBYCYJKMUKJV-UHFFFAOYSA-N -1 3 349.274 2.586 20 5 EFBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000800051529 1293896229 /nfs/dbraw/zinc/89/62/29/1293896229.db2.gz MUFSWTKVOSMEMU-UHFFFAOYSA-N -1 3 328.296 2.982 20 5 EFBDHM O=c1[nH][n-]cc1CCCNc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC000884557143 1294176608 /nfs/dbraw/zinc/17/66/08/1294176608.db2.gz IHNMOCFHYSIKLA-MRVPVSSYSA-N -1 3 330.266 2.538 20 5 EFBDHM Cc1cc(F)cc(-c2noc(-c3c[n-]c(=O)c([N+](=O)[O-])c3)n2)c1F ZINC001212844383 1295543239 /nfs/dbraw/zinc/54/32/39/1295543239.db2.gz QQPFBZZQJFDURW-UHFFFAOYSA-N -1 3 334.238 2.999 20 5 EFBDHM Nc1cn(-c2cc([O-])cc([N+](=O)[O-])c2)c2nccc(Br)c12 ZINC001199819147 1295741822 /nfs/dbraw/zinc/74/18/22/1295741822.db2.gz LKBMURKETVFVHY-UHFFFAOYSA-N -1 3 349.144 2.984 20 5 EFBDHM CCOC(=O)c1ncn2c1cccc2Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199802088 1295759954 /nfs/dbraw/zinc/75/99/54/1295759954.db2.gz LCYPJAKSGAXKKB-UHFFFAOYSA-N -1 3 342.311 2.868 20 5 EFBDHM CCN1CC[C@@H](Oc2cc([O-])cc3oc4ccc(O)cc4c(=O)c23)C1 ZINC001234743572 1313187751 /nfs/dbraw/zinc/18/77/51/1313187751.db2.gz DIGZNFFGYKUITP-CYBMUJFWSA-N -1 3 341.363 2.830 20 5 EFBDHM CN1CCN(c2cccc(F)c2Nc2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC001201229216 1296636298 /nfs/dbraw/zinc/63/62/98/1296636298.db2.gz HWYRBTDDFINYKD-UHFFFAOYSA-N -1 3 346.362 2.935 20 5 EFBDHM CC1(C)c2cccc(Nc3cc([O-])cc([N+](=O)[O-])c3)c2CNC1=O ZINC001201231984 1296639177 /nfs/dbraw/zinc/63/91/77/1296639177.db2.gz NPOHFSDAUWDOFB-UHFFFAOYSA-N -1 3 327.340 2.951 20 5 EFBDHM Cc1cncc(-c2noc(-c3[n-]nc(C(F)(F)F)c3[N+](=O)[O-])n2)c1 ZINC001212972511 1297278681 /nfs/dbraw/zinc/27/86/81/1297278681.db2.gz ATMVAPFOIZWVDZ-UHFFFAOYSA-N -1 3 340.221 2.757 20 5 EFBDHM O=C(Nc1ncccc1[O-])c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000194833800 1298602514 /nfs/dbraw/zinc/60/25/14/1298602514.db2.gz QEZMQECNHGZWTF-UHFFFAOYSA-N -1 3 342.355 2.938 20 5 EFBDHM CC(C)Oc1ccc([C@H](O)CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000853344231 1300091853 /nfs/dbraw/zinc/09/18/53/1300091853.db2.gz IMWKAFGZMITUMZ-CQSZACIVSA-N -1 3 333.344 2.628 20 5 EFBDHM O=c1[n-]ccc(N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1[N+](=O)[O-] ZINC000853663432 1300219778 /nfs/dbraw/zinc/21/97/78/1300219778.db2.gz CCVHHJLRLRGWCM-LBPRGKRZSA-N -1 3 344.327 2.988 20 5 EFBDHM CC(C)(CC(=O)N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1)C1CC1 ZINC001097025182 1313808451 /nfs/dbraw/zinc/80/84/51/1313808451.db2.gz OMYGCDIWYRJUSO-HAQNSBGRSA-N -1 3 348.403 2.581 20 5 EFBDHM CCC(C)(CC)C(=O)N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001097031974 1313810933 /nfs/dbraw/zinc/81/09/33/1313810933.db2.gz CSUQARJAVAQTJJ-XYPYZODXSA-N -1 3 336.392 2.581 20 5 EFBDHM CCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCN(C(=O)C(C)C)CC1 ZINC001066819384 1302332882 /nfs/dbraw/zinc/33/28/82/1302332882.db2.gz ZFWITMPHNKGAOE-UHFFFAOYSA-N -1 3 336.392 2.535 20 5 EFBDHM C=C/C(C)=C/CC(=O)NCCCN(CC)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001095943122 1305790689 /nfs/dbraw/zinc/79/06/89/1305790689.db2.gz AMZYOYWWQWFPER-NTUHNPAUSA-N -1 3 348.403 2.550 20 5 EFBDHM O=C(OCc1ccc([N+](=O)[O-])cc1F)c1cc(F)cc2[n-]nnc21 ZINC000800259453 1307633153 /nfs/dbraw/zinc/63/31/53/1307633153.db2.gz NMKYDDDZLNLQMY-UHFFFAOYSA-N -1 3 334.238 2.501 20 5 EFBDHM O=C(OCc1ccc([N+](=O)[O-])cc1F)c1cc(F)cc2nn[n-]c21 ZINC000800259453 1307633157 /nfs/dbraw/zinc/63/31/57/1307633157.db2.gz NMKYDDDZLNLQMY-UHFFFAOYSA-N -1 3 334.238 2.501 20 5 EFBDHM O=C(OCc1ccc([N+](=O)[O-])cc1F)c1cc(F)cc2n[n-]nc21 ZINC000800259453 1307633160 /nfs/dbraw/zinc/63/31/60/1307633160.db2.gz NMKYDDDZLNLQMY-UHFFFAOYSA-N -1 3 334.238 2.501 20 5 EFBDHM C[C@@H](OC(=O)c1cc(F)cc2[n-]nnc21)c1ccccc1[N+](=O)[O-] ZINC000800259433 1307634025 /nfs/dbraw/zinc/63/40/25/1307634025.db2.gz NHEGMCGIXPYHQU-MRVPVSSYSA-N -1 3 330.275 2.923 20 5 EFBDHM C[C@@H](OC(=O)c1cc(F)cc2nn[n-]c21)c1ccccc1[N+](=O)[O-] ZINC000800259433 1307634029 /nfs/dbraw/zinc/63/40/29/1307634029.db2.gz NHEGMCGIXPYHQU-MRVPVSSYSA-N -1 3 330.275 2.923 20 5 EFBDHM C[C@@H](OC(=O)c1cc(F)cc2n[n-]nc21)c1ccccc1[N+](=O)[O-] ZINC000800259433 1307634033 /nfs/dbraw/zinc/63/40/33/1307634033.db2.gz NHEGMCGIXPYHQU-MRVPVSSYSA-N -1 3 330.275 2.923 20 5 EFBDHM COCc1ccccc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000800929675 1308690092 /nfs/dbraw/zinc/69/00/92/1308690092.db2.gz LQCPSWZCYZCRQM-UHFFFAOYSA-N -1 3 340.332 2.681 20 5 EFBDHM O=C(NC[C@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])C1)c1ccccc1[O-] ZINC001046702910 1309135334 /nfs/dbraw/zinc/13/53/34/1309135334.db2.gz PSVLPEJCEVRMKI-JOCQHMNTSA-N -1 3 341.367 2.921 20 5 EFBDHM CN1CCN(c2ccccc2Nc2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC001210395055 1314325754 /nfs/dbraw/zinc/32/57/54/1314325754.db2.gz OZFDDXRPIJHTAS-UHFFFAOYSA-N -1 3 328.372 2.796 20 5 EFBDHM CN1CCN(Cc2ccccc2Nc2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC001210401134 1314327509 /nfs/dbraw/zinc/32/75/09/1314327509.db2.gz PMRLSXWJLAECDY-UHFFFAOYSA-N -1 3 342.399 2.791 20 5 EFBDHM O=C([O-])CCN(Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@H]1CCCO1 ZINC000901677370 1310873070 /nfs/dbraw/zinc/87/30/70/1310873070.db2.gz JYPNPOUCMAQJLV-GFCCVEGCSA-N -1 3 342.779 2.704 20 5 EFBDHM CC(=O)c1ccc(O)c(CCOC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000780072723 1311054603 /nfs/dbraw/zinc/05/46/03/1311054603.db2.gz ULRRXNFMXIDAMF-UHFFFAOYSA-N -1 3 345.307 2.608 20 5 EFBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)CCCC(C)(C)C ZINC001101546376 1311248454 /nfs/dbraw/zinc/24/84/54/1311248454.db2.gz ZAOJZZLWELXRMQ-UHFFFAOYSA-N -1 3 338.408 2.782 20 5 EFBDHM O=[N+]([O-])c1c([O-])ccnc1OC[C@H]1CCC(c2ccccc2)=NO1 ZINC001225664767 1311562121 /nfs/dbraw/zinc/56/21/21/1311562121.db2.gz SZALWZBACRKVED-GFCCVEGCSA-N -1 3 329.312 2.658 20 5 EFBDHM CCOC(=O)[C@@H](C)[C@H](Oc1c([O-])cccc1[N+](=O)[O-])C(F)(F)F ZINC001226336257 1311651421 /nfs/dbraw/zinc/65/14/21/1311651421.db2.gz OVSDSIHMLYOHFP-CPCISQLKSA-N -1 3 337.250 2.809 20 5 EFBDHM CCc1nc(O[C@@H](C)c2cc3c(cc2[N+](=O)[O-])OCO3)cc(=O)[n-]1 ZINC001226473410 1311673696 /nfs/dbraw/zinc/67/36/96/1311673696.db2.gz WYHYHEIVYDOSQO-QMMMGPOBSA-N -1 3 333.300 2.522 20 5 EFBDHM COc1cc(O[C@@H](C)C(C)=O)c2c(c1)oc1c([O-])ccc(O)c1c2=O ZINC001227646855 1311835853 /nfs/dbraw/zinc/83/58/53/1311835853.db2.gz UTGHQJLDZKNIRG-VIFPVBQESA-N -1 3 344.319 2.722 20 5 EFBDHM COc1cccc(OC[C@H](C)Oc2ncc([N+](=O)[O-])c3nc[n-]c32)c1 ZINC001227691150 1311839701 /nfs/dbraw/zinc/83/97/01/1311839701.db2.gz MWRSAKYTVBUWLZ-JTQLQIEISA-N -1 3 344.327 2.721 20 5 EFBDHM COC(=O)c1ccc([C@H](C)Oc2ncc([N+](=O)[O-])c3nc[n-]c32)cc1 ZINC001227693070 1311840365 /nfs/dbraw/zinc/84/03/65/1311840365.db2.gz KCDWMCIKKGYOBQ-VIFPVBQESA-N -1 3 342.311 2.793 20 5 EFBDHM C[C@@H]1[C@@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)CN1C(=O)OC(C)(C)C ZINC001227743859 1311848323 /nfs/dbraw/zinc/84/83/23/1311848323.db2.gz ZKPACQDZVIPOQJ-RNCFNFMXSA-N -1 3 348.359 2.858 20 5 EFBDHM C[C@@H]1[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)CN1C(=O)OC(C)(C)C ZINC001227743859 1311848325 /nfs/dbraw/zinc/84/83/25/1311848325.db2.gz ZKPACQDZVIPOQJ-RNCFNFMXSA-N -1 3 348.359 2.858 20 5 EFBDHM O=[N+]([O-])c1ccc2nc(OC[C@H]3COc4ccccc4O3)[n-]c2c1 ZINC001227744197 1311848388 /nfs/dbraw/zinc/84/83/88/1311848388.db2.gz DWDAROWAMAFXQR-LLVKDONJSA-N -1 3 327.296 2.690 20 5 EFBDHM O=[N+]([O-])c1ccc2[n-]c(OC[C@H]3COc4ccccc4O3)nc2c1 ZINC001227744197 1311848391 /nfs/dbraw/zinc/84/83/91/1311848391.db2.gz DWDAROWAMAFXQR-LLVKDONJSA-N -1 3 327.296 2.690 20 5 EFBDHM O=[N+]([O-])c1ccc2c(c1)C[C@@H](Oc1nc3ccc([N+](=O)[O-])cc3[n-]1)C2 ZINC001227741352 1311848554 /nfs/dbraw/zinc/84/85/54/1311848554.db2.gz MYWOCWFOYDNZJL-ZDUSSCGKSA-N -1 3 340.295 2.926 20 5 EFBDHM O=[N+]([O-])c1ccc2c(c1)C[C@@H](Oc1nc3cc([N+](=O)[O-])ccc3[n-]1)C2 ZINC001227741352 1311848557 /nfs/dbraw/zinc/84/85/57/1311848557.db2.gz MYWOCWFOYDNZJL-ZDUSSCGKSA-N -1 3 340.295 2.926 20 5 EFBDHM CCOC(=O)C(F)(F)[C@@H](CC)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227742433 1311848592 /nfs/dbraw/zinc/84/85/92/1311848592.db2.gz AAZMNQDLRFOYKP-LLVKDONJSA-N -1 3 343.286 2.827 20 5 EFBDHM CCOC(=O)C(F)(F)[C@@H](CC)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227742433 1311848594 /nfs/dbraw/zinc/84/85/94/1311848594.db2.gz AAZMNQDLRFOYKP-LLVKDONJSA-N -1 3 343.286 2.827 20 5 EFBDHM CC[C@H](O)C(=O)Oc1c2ccccc2c([O-])c2c(O)ccc(O)c12 ZINC001228175192 1311911095 /nfs/dbraw/zinc/91/10/95/1311911095.db2.gz YCHNXBCYYAPQAP-NSHDSACASA-N -1 3 328.320 2.786 20 5 EFBDHM CCOC(=O)[C@H]1CC[C@H](Oc2nc3cc([N+](=O)[O-])c(C)cc3[n-]2)C1 ZINC001228672765 1311979622 /nfs/dbraw/zinc/97/96/22/1311979622.db2.gz AMTJLQLOAWXMJN-QWRGUYRKSA-N -1 3 333.344 2.890 20 5 EFBDHM COC(=O)[C@@H]1C[C@H](Oc2nc3cc([N+](=O)[O-])c(C)cc3[n-]2)C1(C)C ZINC001228677579 1311979892 /nfs/dbraw/zinc/97/98/92/1311979892.db2.gz ROQLASLSDFATSS-ZANVPECISA-N -1 3 333.344 2.746 20 5 EFBDHM COC(=O)[C@H]1CC[C@H](Oc2nc3cc([N+](=O)[O-])c(C)cc3[n-]2)CC1 ZINC001228675582 1311980187 /nfs/dbraw/zinc/98/01/87/1311980187.db2.gz QXEDQSCIFYPFAX-XYPYZODXSA-N -1 3 333.344 2.890 20 5 EFBDHM COc1cccc2c1[C@@H](Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-])CCO2 ZINC001228685404 1311982140 /nfs/dbraw/zinc/98/21/40/1311982140.db2.gz HHIWCLBVRNJEHT-LBPRGKRZSA-N -1 3 332.312 2.915 20 5 EFBDHM O=C1CCc2cc([O-])c(O[C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)cc21 ZINC001228858532 1312011043 /nfs/dbraw/zinc/01/10/43/1312011043.db2.gz SEWQRJBOFJWIEW-CQSZACIVSA-N -1 3 325.320 2.976 20 5 EFBDHM Cc1nc(OC(C(=O)c2ccco2)c2ccco2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229380831 1312086074 /nfs/dbraw/zinc/08/60/74/1312086074.db2.gz LQLKQDWKKXMZGZ-ZDUSSCGKSA-N -1 3 345.267 2.588 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(OC(C)C)cc1NCCCc1c[n-][nH]c1=O ZINC001164407070 1312509638 /nfs/dbraw/zinc/50/96/38/1312509638.db2.gz GVOOLJWGLYNSCO-LBPRGKRZSA-N -1 3 334.376 2.614 20 5 EFBDHM Cc1c(Nc2cc(=O)[n-]c(C3CC3)n2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001211291864 1314470155 /nfs/dbraw/zinc/47/01/55/1314470155.db2.gz FSCDUJQGINBIFM-UHFFFAOYSA-N -1 3 331.288 2.928 20 5 EFBDHM COc1cccc(-c2noc(C(=O)[N-]c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC001247999202 1314879992 /nfs/dbraw/zinc/87/99/92/1314879992.db2.gz IJTIEPXXHKHUQL-UHFFFAOYSA-N -1 3 340.295 2.906 20 5 EFBDHM CCc1cccnc1-c1noc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2)n1 ZINC001248001544 1314880209 /nfs/dbraw/zinc/88/02/09/1314880209.db2.gz HYRYECUUJIVPLM-UHFFFAOYSA-N -1 3 339.311 2.855 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nc3ccc(N4CCOCC4)cc3[nH]2)c([O-])c1 ZINC001251008954 1315309922 /nfs/dbraw/zinc/30/99/22/1315309922.db2.gz AHAMOFWVORHSIG-UHFFFAOYSA-N -1 3 340.339 2.680 20 5 EFBDHM CS(=O)(=O)CS(=O)(=O)[N-]c1ccc2cc3ccccc3cc2c1 ZINC001260592457 1316348867 /nfs/dbraw/zinc/34/88/67/1316348867.db2.gz JCZWTPZCALVYTJ-UHFFFAOYSA-N -1 3 349.433 2.737 20 5 EFBDHM C[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])CN(C)C(=O)OC(C)(C)C ZINC001261653027 1316423095 /nfs/dbraw/zinc/42/30/95/1316423095.db2.gz YUJDKIKWWGLVJH-JTQLQIEISA-N -1 3 340.380 2.610 20 5 EFBDHM COc1cc(C[NH2+]CCC(C)(C)CCC(=O)[O-])c([N+](=O)[O-])cc1[O-] ZINC001320866990 1329312558 /nfs/dbraw/zinc/31/25/58/1329312558.db2.gz PXTWHLXWZCYWTN-UHFFFAOYSA-N -1 3 340.376 2.680 20 5 EFBDHM COc1cc(C[NH2+][C@@H](C)CCC[C@@H](C)C(=O)[O-])c([N+](=O)[O-])cc1[O-] ZINC001324576921 1329641716 /nfs/dbraw/zinc/64/17/16/1329641716.db2.gz YIOHNBOQJKYKFU-MNOVXSKESA-N -1 3 340.376 2.678 20 5 EFBDHM N[C@H](C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CCCCC1 ZINC001326627863 1330330145 /nfs/dbraw/zinc/33/01/45/1330330145.db2.gz SGCPJQRQGDJAEK-LBPRGKRZSA-N -1 3 327.768 2.800 20 5 EFBDHM O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1n[n-]c(-c2ccco2)n1 ZINC001338384793 1331701380 /nfs/dbraw/zinc/70/13/80/1331701380.db2.gz UKDWPNFMIXMGOC-UHFFFAOYSA-N -1 3 345.340 2.704 20 5 EFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@H]1C=CCC1 ZINC000849427913 1335613469 /nfs/dbraw/zinc/61/34/69/1335613469.db2.gz MYDKZMSWTUFJIZ-VIFPVBQESA-N -1 3 336.291 2.611 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C=CCC2)c(C(F)(F)F)c1 ZINC000849431370 1335614287 /nfs/dbraw/zinc/61/42/87/1335614287.db2.gz XLJHCXJLYWVPCV-MRVPVSSYSA-N -1 3 336.291 2.611 20 5 EFBDHM Cc1c([C@@H](C)NCc2cccc(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC000822020959 1441658714 /nfs/dbraw/zinc/65/87/14/1441658714.db2.gz PJXZQRJAYUGQPR-GFCCVEGCSA-N -1 3 338.371 2.934 20 5 EFBDHM Cc1c([C@@H](C)NCc2cccc(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC000822020959 1441658716 /nfs/dbraw/zinc/65/87/16/1441658716.db2.gz PJXZQRJAYUGQPR-GFCCVEGCSA-N -1 3 338.371 2.934 20 5 EFBDHM Cc1c(CN[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC000826236542 1449267061 /nfs/dbraw/zinc/26/70/61/1449267061.db2.gz QPXBXHDXLZMHCA-LBPRGKRZSA-N -1 3 338.371 2.934 20 5 EFBDHM Cc1c(CN[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cccc1[N+](=O)[O-] ZINC000826236542 1449267065 /nfs/dbraw/zinc/26/70/65/1449267065.db2.gz QPXBXHDXLZMHCA-LBPRGKRZSA-N -1 3 338.371 2.934 20 5 EFBDHM CCc1nc(CN(C)Cc2ccc([O-])c(OC)c2[N+](=O)[O-])cs1 ZINC000891812621 715034076 /nfs/dbraw/zinc/03/40/76/715034076.db2.gz PDPMPBQURJAGGT-UHFFFAOYSA-N -1 3 337.401 2.960 20 5 EFBDHM O=C(N[C@H]1C[C@H](Nc2cccc(F)c2[N+](=O)[O-])C1)c1ccccc1[O-] ZINC001059153620 722661240 /nfs/dbraw/zinc/66/12/40/722661240.db2.gz SZSXDBFDFDHOFA-XYPYZODXSA-N -1 3 345.330 2.812 20 5 EFBDHM O=C(C=C1CCCCC1)N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001059153269 722661879 /nfs/dbraw/zinc/66/18/79/722661879.db2.gz KOWHAERFVSFPTK-JOCQHMNTSA-N -1 3 346.387 2.645 20 5 EFBDHM COc1c([O-])ccc(CN2CCOCc3ccccc32)c1[N+](=O)[O-] ZINC000894529832 722773097 /nfs/dbraw/zinc/77/30/97/722773097.db2.gz LQSORJDRJYCZHJ-UHFFFAOYSA-N -1 3 330.340 2.846 20 5 EFBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)c1cncc([O-])c1 ZINC000732391248 727063961 /nfs/dbraw/zinc/06/39/61/727063961.db2.gz GLSPTDIEBGWZKY-UHFFFAOYSA-N -1 3 332.312 2.840 20 5 EFBDHM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1ccc(Cn2cccn2)o1 ZINC000915837549 727199272 /nfs/dbraw/zinc/19/92/72/727199272.db2.gz BWZPPMHXUOANTO-UHFFFAOYSA-N -1 3 348.265 2.963 20 5 EFBDHM O=C(Nc1cc(-c2ccccc2F)no1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000732829913 727247582 /nfs/dbraw/zinc/24/75/82/727247582.db2.gz HSOAENLFAIBAHD-UHFFFAOYSA-N -1 3 344.258 2.742 20 5 EFBDHM Cc1[nH]nc(C(=O)[N-]c2cc(-c3ccccc3F)no2)c1[N+](=O)[O-] ZINC000732830508 727247667 /nfs/dbraw/zinc/24/76/67/727247667.db2.gz PVHAUPFZPAFFMM-UHFFFAOYSA-N -1 3 331.263 2.673 20 5 EFBDHM Cc1nonc1[N-]C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000170799587 728480144 /nfs/dbraw/zinc/48/01/44/728480144.db2.gz ITMLHHWEIQJPPR-UHFFFAOYSA-N -1 3 331.313 2.662 20 5 EFBDHM CC(C)(CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H]1CCCCO1 ZINC000819984447 945322129 /nfs/dbraw/zinc/32/21/29/945322129.db2.gz WNLHQFFIWNXIAI-AWEZNQCLSA-N -1 3 346.391 2.782 20 5 EFBDHM CC(C)(CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H]1CCCCO1 ZINC000819984447 945322138 /nfs/dbraw/zinc/32/21/38/945322138.db2.gz WNLHQFFIWNXIAI-AWEZNQCLSA-N -1 3 346.391 2.782 20 5 EFBDHM CCOc1ccc([N+](=O)[O-])cc1CNc1cccc(-c2nnn[n-]2)c1 ZINC000821427775 945692544 /nfs/dbraw/zinc/69/25/44/945692544.db2.gz ZWZOYZISZYUQKE-UHFFFAOYSA-N -1 3 340.343 2.786 20 5 EFBDHM CCOc1ccc([N+](=O)[O-])cc1CNc1cccc(-c2nn[n-]n2)c1 ZINC000821427775 945692552 /nfs/dbraw/zinc/69/25/52/945692552.db2.gz ZWZOYZISZYUQKE-UHFFFAOYSA-N -1 3 340.343 2.786 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1C ZINC001440735797 948517969 /nfs/dbraw/zinc/51/79/69/948517969.db2.gz IDMUJOUFOZLIMY-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1C ZINC001440735797 948517974 /nfs/dbraw/zinc/51/79/74/948517974.db2.gz IDMUJOUFOZLIMY-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM CC1(C)C[C@H](CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C(C)(C)O1 ZINC001575638564 950841270 /nfs/dbraw/zinc/84/12/70/950841270.db2.gz HTEKVJWFYRZETQ-SNVBAGLBSA-N -1 3 346.391 2.781 20 5 EFBDHM CC1(C)C[C@H](CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C(C)(C)O1 ZINC001575638564 950841284 /nfs/dbraw/zinc/84/12/84/950841284.db2.gz HTEKVJWFYRZETQ-SNVBAGLBSA-N -1 3 346.391 2.781 20 5 EFBDHM CC(C)[C@@H](NCc1c(Br)cccc1[N+](=O)[O-])C(=O)[O-] ZINC001603093259 972166121 /nfs/dbraw/zinc/16/61/21/972166121.db2.gz RSPKLPSRIPRZLD-LLVKDONJSA-N -1 3 331.166 2.556 20 5 EFBDHM CC([C@@H](OC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)c1ccccc1F)[N+](=O)[O-] ZINC001588607130 959482127 /nfs/dbraw/zinc/48/21/27/959482127.db2.gz PTBSYWUKIIMKSV-FBKDDSFISA-N -1 3 339.319 2.576 20 5 EFBDHM CC(C)OC[C@H](C(=O)[O-])N(C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001591712333 975604648 /nfs/dbraw/zinc/60/46/48/975604648.db2.gz RATPAVFWHGKHBO-CYBMUJFWSA-N -1 3 330.768 2.558 20 5 EFBDHM C[C@@](CC(=O)[O-])(NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC001592330274 977765852 /nfs/dbraw/zinc/76/58/52/977765852.db2.gz SGNZLWNCSPCZPC-KRWDZBQOSA-N -1 3 345.355 2.983 20 5 EFBDHM C[C@@](CCF)(NCc1cccc([N+](=O)[O-])c1Br)C(=O)[O-] ZINC001592507920 978330753 /nfs/dbraw/zinc/33/07/53/978330753.db2.gz WXGGSWKECLFLMK-LBPRGKRZSA-N -1 3 349.156 2.650 20 5 EFBDHM C[C@](CCF)(NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)[O-] ZINC001592507939 978330911 /nfs/dbraw/zinc/33/09/11/978330911.db2.gz XCOBDVMDESGUGU-OAHLLOKOSA-N -1 3 337.307 2.542 20 5 EFBDHM C[C@H](CN(Cn1cc(-c2ccccc2[N+](=O)[O-])cn1)C1CC1)C(=O)[O-] ZINC001592609706 978557201 /nfs/dbraw/zinc/55/72/01/978557201.db2.gz JRVUMGKNXBBHMP-GFCCVEGCSA-N -1 3 344.371 2.601 20 5 EFBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[C@@H](C3CCOCC3)C2)c1 ZINC000903935324 981055403 /nfs/dbraw/zinc/05/54/03/981055403.db2.gz JFHWBZQMNCDUMH-OAHLLOKOSA-N -1 3 348.399 2.932 20 5 EFBDHM Cc1c(CN2CC[C@H](C(=O)[O-])C[C@@H]2[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000903942247 981064531 /nfs/dbraw/zinc/06/45/31/981064531.db2.gz BDYNVVGLYDAEIM-IAOVAPTHSA-N -1 3 348.399 2.747 20 5 EFBDHM C[C@H](NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC001593289003 994660226 /nfs/dbraw/zinc/66/02/26/994660226.db2.gz OPRVTUXOJUZTRY-NHYWBVRUSA-N -1 3 342.351 2.947 20 5 EFBDHM Cc1cc(CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])ccc1F ZINC001580928297 1091043389 /nfs/dbraw/zinc/04/33/89/1091043389.db2.gz BJWIJSDPVRYYOD-UHFFFAOYSA-N -1 3 346.297 2.974 20 5 EFBDHM Cc1cc(CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])ccc1F ZINC001580928297 1091043394 /nfs/dbraw/zinc/04/33/94/1091043394.db2.gz BJWIJSDPVRYYOD-UHFFFAOYSA-N -1 3 346.297 2.974 20 5 EFBDHM Cc1cc(NC2Cc3ccccc3C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001581010108 1091060422 /nfs/dbraw/zinc/06/04/22/1091060422.db2.gz FCUURZUORDWGEM-UHFFFAOYSA-N -1 3 336.355 2.663 20 5 EFBDHM Cc1cc(NC2Cc3ccccc3C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001581010108 1091060428 /nfs/dbraw/zinc/06/04/28/1091060428.db2.gz FCUURZUORDWGEM-UHFFFAOYSA-N -1 3 336.355 2.663 20 5 EFBDHM Cc1cc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(-c2nnn[n-]2)cn1 ZINC001581043822 1091065224 /nfs/dbraw/zinc/06/52/24/1091065224.db2.gz IRVWBYFEYJJORA-UHFFFAOYSA-N -1 3 332.707 2.924 20 5 EFBDHM Cc1cc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(-c2nn[n-]n2)cn1 ZINC001581043822 1091065230 /nfs/dbraw/zinc/06/52/30/1091065230.db2.gz IRVWBYFEYJJORA-UHFFFAOYSA-N -1 3 332.707 2.924 20 5 EFBDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)Oc1cccc([N+](=O)[O-])c1C ZINC001581135658 1091079721 /nfs/dbraw/zinc/07/97/21/1091079721.db2.gz JHACNQQYNRYXSY-UHFFFAOYSA-N -1 3 339.311 2.611 20 5 EFBDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)Oc1cccc([N+](=O)[O-])c1C ZINC001581135658 1091079728 /nfs/dbraw/zinc/07/97/28/1091079728.db2.gz JHACNQQYNRYXSY-UHFFFAOYSA-N -1 3 339.311 2.611 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(NC[C@@H]2CCC[C@H]2C2CC2)c1-c1nnn[n-]1 ZINC001581909878 1091334167 /nfs/dbraw/zinc/33/41/67/1091334167.db2.gz YRZMLIPRZQEAGP-QWRGUYRKSA-N -1 3 343.391 2.595 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(NC[C@@H]2CCC[C@H]2C2CC2)c1-c1nn[n-]n1 ZINC001581909878 1091334176 /nfs/dbraw/zinc/33/41/76/1091334176.db2.gz YRZMLIPRZQEAGP-QWRGUYRKSA-N -1 3 343.391 2.595 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1Sc1ccc2c(c1)CCC2 ZINC001582803227 1091668172 /nfs/dbraw/zinc/66/81/72/1091668172.db2.gz ACKQFZKNUVGMSR-UHFFFAOYSA-N -1 3 340.368 2.810 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1Sc1ccc2c(c1)CCC2 ZINC001582803227 1091668176 /nfs/dbraw/zinc/66/81/76/1091668176.db2.gz ACKQFZKNUVGMSR-UHFFFAOYSA-N -1 3 340.368 2.810 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1Sc1ccc(F)cc1F ZINC001582803398 1091668814 /nfs/dbraw/zinc/66/88/14/1091668814.db2.gz FWOYEJBNDWYEHP-UHFFFAOYSA-N -1 3 336.283 2.599 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1Sc1ccc(F)cc1F ZINC001582803398 1091668820 /nfs/dbraw/zinc/66/88/20/1091668820.db2.gz FWOYEJBNDWYEHP-UHFFFAOYSA-N -1 3 336.283 2.599 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1Oc1cnc2ccccc2c1 ZINC001582803506 1091668836 /nfs/dbraw/zinc/66/88/36/1091668836.db2.gz KEMYNKBOQTUMSL-UHFFFAOYSA-N -1 3 335.283 2.510 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1Oc1cnc2ccccc2c1 ZINC001582803506 1091668844 /nfs/dbraw/zinc/66/88/44/1091668844.db2.gz KEMYNKBOQTUMSL-UHFFFAOYSA-N -1 3 335.283 2.510 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NCCCCC1CCCC1 ZINC001582803677 1091669208 /nfs/dbraw/zinc/66/92/08/1091669208.db2.gz QEWNOLBFPYCXEW-UHFFFAOYSA-N -1 3 331.380 2.942 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NCCCCC1CCCC1 ZINC001582803677 1091669213 /nfs/dbraw/zinc/66/92/13/1091669213.db2.gz QEWNOLBFPYCXEW-UHFFFAOYSA-N -1 3 331.380 2.942 20 5 EFBDHM O=[N+]([O-])c1cncc(Cl)c1Oc1ccc(-c2nnn[n-]2)cc1F ZINC001582804326 1091669956 /nfs/dbraw/zinc/66/99/56/1091669956.db2.gz ATDAQIUZJHTECY-UHFFFAOYSA-N -1 3 336.670 2.755 20 5 EFBDHM O=[N+]([O-])c1cncc(Cl)c1Oc1ccc(-c2nn[n-]n2)cc1F ZINC001582804326 1091669961 /nfs/dbraw/zinc/66/99/61/1091669961.db2.gz ATDAQIUZJHTECY-UHFFFAOYSA-N -1 3 336.670 2.755 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC001582804411 1091670012 /nfs/dbraw/zinc/67/00/12/1091670012.db2.gz SFAWRCNOEJIOJW-QWHCGFSZSA-N -1 3 340.318 2.882 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC001582804411 1091670017 /nfs/dbraw/zinc/67/00/17/1091670017.db2.gz SFAWRCNOEJIOJW-QWHCGFSZSA-N -1 3 340.318 2.882 20 5 EFBDHM C/C(=C/Cl)CSc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001588769696 1092985870 /nfs/dbraw/zinc/98/58/70/1092985870.db2.gz VYUFHICTYUEYIS-XQRVVYSFSA-N -1 3 326.769 2.592 20 5 EFBDHM C/C(=C/Cl)CSc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001588769696 1092985860 /nfs/dbraw/zinc/98/58/60/1092985860.db2.gz VYUFHICTYUEYIS-XQRVVYSFSA-N -1 3 326.769 2.592 20 5 EFBDHM CC(=O)c1ccc(Oc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC001588917557 1093011542 /nfs/dbraw/zinc/01/15/42/1093011542.db2.gz RBIYFDHPEQWBCL-UHFFFAOYSA-N -1 3 343.274 2.909 20 5 EFBDHM CC(C)(C)C1=CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)CC1 ZINC001589096352 1093027429 /nfs/dbraw/zinc/02/74/29/1093027429.db2.gz OKALOECARLWESC-UHFFFAOYSA-N -1 3 343.391 2.540 20 5 EFBDHM CC(C)(C)C1=CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)CC1 ZINC001589096352 1093027436 /nfs/dbraw/zinc/02/74/36/1093027436.db2.gz OKALOECARLWESC-UHFFFAOYSA-N -1 3 343.391 2.540 20 5 EFBDHM CC(C)(C)O[C@H]1C[C@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001589198415 1093045817 /nfs/dbraw/zinc/04/58/17/1093045817.db2.gz TXUHAMXXONUGCN-XYPYZODXSA-N -1 3 332.364 2.533 20 5 EFBDHM CC(C)(C)O[C@H]1C[C@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001589198415 1093045825 /nfs/dbraw/zinc/04/58/25/1093045825.db2.gz TXUHAMXXONUGCN-XYPYZODXSA-N -1 3 332.364 2.533 20 5 EFBDHM CC(C)=CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001589379687 1093079268 /nfs/dbraw/zinc/07/92/68/1093079268.db2.gz XFUOWZMMTKVZBY-UHFFFAOYSA-N -1 3 325.332 2.701 20 5 EFBDHM CC(C)=CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001589379687 1093079277 /nfs/dbraw/zinc/07/92/77/1093079277.db2.gz XFUOWZMMTKVZBY-UHFFFAOYSA-N -1 3 325.332 2.701 20 5 EFBDHM CC(C)[C@@]1(C)C[C@H]1C(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589491315 1093092746 /nfs/dbraw/zinc/09/27/46/1093092746.db2.gz RISUIADTPQDQKM-BLLLJJGKSA-N -1 3 345.359 2.500 20 5 EFBDHM CC(C)[C@@]1(C)C[C@H]1C(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589491315 1093092755 /nfs/dbraw/zinc/09/27/55/1093092755.db2.gz RISUIADTPQDQKM-BLLLJJGKSA-N -1 3 345.359 2.500 20 5 EFBDHM CC(C)[C@]1(C)C[C@H]1C(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589491316 1093092913 /nfs/dbraw/zinc/09/29/13/1093092913.db2.gz RISUIADTPQDQKM-LRDDRELGSA-N -1 3 345.359 2.500 20 5 EFBDHM CC(C)[C@]1(C)C[C@H]1C(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589491316 1093092920 /nfs/dbraw/zinc/09/29/20/1093092920.db2.gz RISUIADTPQDQKM-LRDDRELGSA-N -1 3 345.359 2.500 20 5 EFBDHM CC(C)[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@H]1C(C)C ZINC001589517210 1093102032 /nfs/dbraw/zinc/10/20/32/1093102032.db2.gz LPPIZDRCQNWIFY-ZFWWWQNUSA-N -1 3 330.392 2.892 20 5 EFBDHM CC(C)[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@H]1C(C)C ZINC001589517210 1093102036 /nfs/dbraw/zinc/10/20/36/1093102036.db2.gz LPPIZDRCQNWIFY-ZFWWWQNUSA-N -1 3 330.392 2.892 20 5 EFBDHM CC(C)C[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001589573034 1093108328 /nfs/dbraw/zinc/10/83/28/1093108328.db2.gz UDSTUWNZVLDRMH-NSHDSACASA-N -1 3 345.407 2.620 20 5 EFBDHM CC(C)C[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001589573034 1093108339 /nfs/dbraw/zinc/10/83/39/1093108339.db2.gz UDSTUWNZVLDRMH-NSHDSACASA-N -1 3 345.407 2.620 20 5 EFBDHM CC(C)CSCCCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589653419 1093120873 /nfs/dbraw/zinc/12/08/73/1093120873.db2.gz NNSWUFAAIPISIW-UHFFFAOYSA-N -1 3 336.421 2.966 20 5 EFBDHM CC(C)CSCCCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589653419 1093120877 /nfs/dbraw/zinc/12/08/77/1093120877.db2.gz NNSWUFAAIPISIW-UHFFFAOYSA-N -1 3 336.421 2.966 20 5 EFBDHM C[C@H](CCc1cccn1C)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001589836821 1093158909 /nfs/dbraw/zinc/15/89/09/1093158909.db2.gz SDNNNVBJBCBEKL-LLVKDONJSA-N -1 3 341.375 2.547 20 5 EFBDHM C[C@H](CCc1cccn1C)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001589836821 1093158918 /nfs/dbraw/zinc/15/89/18/1093158918.db2.gz SDNNNVBJBCBEKL-LLVKDONJSA-N -1 3 341.375 2.547 20 5 EFBDHM C[C@H](Cc1cccs1)N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589903247 1093174111 /nfs/dbraw/zinc/17/41/11/1093174111.db2.gz WJUURWFAFSWAIH-SNVBAGLBSA-N -1 3 344.400 2.904 20 5 EFBDHM C[C@H](Cc1cccs1)N(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589903247 1093174112 /nfs/dbraw/zinc/17/41/12/1093174112.db2.gz WJUURWFAFSWAIH-SNVBAGLBSA-N -1 3 344.400 2.904 20 5 EFBDHM CC1(C)C[C@H](Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CCS1 ZINC001590083269 1093256069 /nfs/dbraw/zinc/25/60/69/1093256069.db2.gz CLIXYQHDJOKKTP-SNVBAGLBSA-N -1 3 334.405 2.861 20 5 EFBDHM CC1(C)CN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])c2ccccc21 ZINC001590109026 1093271132 /nfs/dbraw/zinc/27/11/32/1093271132.db2.gz MTFKFDWPDGAHCJ-UHFFFAOYSA-N -1 3 337.343 2.599 20 5 EFBDHM CC1(C)CN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])c2ccccc21 ZINC001590109026 1093271140 /nfs/dbraw/zinc/27/11/40/1093271140.db2.gz MTFKFDWPDGAHCJ-UHFFFAOYSA-N -1 3 337.343 2.599 20 5 EFBDHM C[C@@H]1[C@H](C(F)(F)F)CCN1c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590167106 1093294095 /nfs/dbraw/zinc/29/40/95/1093294095.db2.gz KSMHYIJLHSXPDV-GMSGAONNSA-N -1 3 342.281 2.552 20 5 EFBDHM C[C@H]1[C@@H](C(F)(F)F)CCN1c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001590166663 1093294877 /nfs/dbraw/zinc/29/48/77/1093294877.db2.gz FSWJXWXJZKKAGG-CBAPKCEASA-N -1 3 342.281 2.552 20 5 EFBDHM C[C@H]1[C@@H](C(F)(F)F)CCN1c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001590166663 1093294880 /nfs/dbraw/zinc/29/48/80/1093294880.db2.gz FSWJXWXJZKKAGG-CBAPKCEASA-N -1 3 342.281 2.552 20 5 EFBDHM C[C@@H]1CC(Nc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C[C@@H](C)C1 ZINC001590186531 1093296347 /nfs/dbraw/zinc/29/63/47/1093296347.db2.gz DQUGHBLGAIVUDU-IUCAKERBSA-N -1 3 331.380 2.594 20 5 EFBDHM C[C@@H]1CC(Nc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C[C@@H](C)C1 ZINC001590186531 1093296350 /nfs/dbraw/zinc/29/63/50/1093296350.db2.gz DQUGHBLGAIVUDU-IUCAKERBSA-N -1 3 331.380 2.594 20 5 EFBDHM C[C@H]1CC(CCNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC001590190082 1093299387 /nfs/dbraw/zinc/29/93/87/1093299387.db2.gz OEFIUIZAXSGFRA-QWRGUYRKSA-N -1 3 346.391 2.781 20 5 EFBDHM C[C@H]1CC(CCNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC001590190082 1093299397 /nfs/dbraw/zinc/29/93/97/1093299397.db2.gz OEFIUIZAXSGFRA-QWRGUYRKSA-N -1 3 346.391 2.781 20 5 EFBDHM C[C@@H]1CC[C@@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001590236044 1093324593 /nfs/dbraw/zinc/32/45/93/1093324593.db2.gz FROVKBIXVLKAAP-NXEZZACHSA-N -1 3 339.359 2.924 20 5 EFBDHM C[C@@H]1CC[C@@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001590236044 1093324604 /nfs/dbraw/zinc/32/46/04/1093324604.db2.gz FROVKBIXVLKAAP-NXEZZACHSA-N -1 3 339.359 2.924 20 5 EFBDHM C[C@@H]1CCCC[C@@H]1OCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590255208 1093344806 /nfs/dbraw/zinc/34/48/06/1093344806.db2.gz RIOGOTBEOVSYMI-ABAIWWIYSA-N -1 3 346.391 2.782 20 5 EFBDHM C[C@@H]1CCCC[C@@H]1OCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590255208 1093344814 /nfs/dbraw/zinc/34/48/14/1093344814.db2.gz RIOGOTBEOVSYMI-ABAIWWIYSA-N -1 3 346.391 2.782 20 5 EFBDHM C[C@H]1Cc2cc(Nc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)ccc2O1 ZINC001590329977 1093379047 /nfs/dbraw/zinc/37/90/47/1093379047.db2.gz SJRBABQFPQIWNI-VIFPVBQESA-N -1 3 338.327 2.842 20 5 EFBDHM C[C@H]1Cc2cc(Nc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)ccc2O1 ZINC001590329977 1093379050 /nfs/dbraw/zinc/37/90/50/1093379050.db2.gz SJRBABQFPQIWNI-VIFPVBQESA-N -1 3 338.327 2.842 20 5 EFBDHM CCC(C)(C)OCCNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590379011 1093397707 /nfs/dbraw/zinc/39/77/07/1093397707.db2.gz MPPSZCQWKWRJGZ-UHFFFAOYSA-N -1 3 334.380 2.700 20 5 EFBDHM CCC(C)(C)OCCNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590379011 1093397713 /nfs/dbraw/zinc/39/77/13/1093397713.db2.gz MPPSZCQWKWRJGZ-UHFFFAOYSA-N -1 3 334.380 2.700 20 5 EFBDHM CC[C@@H](C)n1ncc(Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])c1C ZINC001590418518 1093413464 /nfs/dbraw/zinc/41/34/64/1093413464.db2.gz QKZVGTFKZKPMOA-SECBINFHSA-N -1 3 342.363 2.994 20 5 EFBDHM CC[C@@H](C)n1ncc(Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])c1C ZINC001590418518 1093413467 /nfs/dbraw/zinc/41/34/67/1093413467.db2.gz QKZVGTFKZKPMOA-SECBINFHSA-N -1 3 342.363 2.994 20 5 EFBDHM CC[C@H](CC(F)(F)F)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590421199 1093414293 /nfs/dbraw/zinc/41/42/93/1093414293.db2.gz HSIZLGVHSVTBCK-SSDOTTSWSA-N -1 3 330.270 2.918 20 5 EFBDHM CC[C@H](CC(C)C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590424632 1093415263 /nfs/dbraw/zinc/41/52/63/1093415263.db2.gz KWXZWCJUCRQXPJ-LLVKDONJSA-N -1 3 347.375 2.890 20 5 EFBDHM CC[C@H](CC(C)C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590424632 1093415270 /nfs/dbraw/zinc/41/52/70/1093415270.db2.gz KWXZWCJUCRQXPJ-LLVKDONJSA-N -1 3 347.375 2.890 20 5 EFBDHM CC[C@@H](Nc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CCCCC1 ZINC001590475698 1093446387 /nfs/dbraw/zinc/44/63/87/1093446387.db2.gz YCLQAAKAJUKZIT-GFCCVEGCSA-N -1 3 331.380 2.941 20 5 EFBDHM CC[C@@H](Nc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CCCCC1 ZINC001590475698 1093446390 /nfs/dbraw/zinc/44/63/90/1093446390.db2.gz YCLQAAKAJUKZIT-GFCCVEGCSA-N -1 3 331.380 2.941 20 5 EFBDHM CCCC(O)(CCC)CNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590560204 1093487441 /nfs/dbraw/zinc/48/74/41/1093487441.db2.gz VIIUMZRUKGNFQP-UHFFFAOYSA-N -1 3 348.407 2.827 20 5 EFBDHM CCCC(O)(CCC)CNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590560204 1093487443 /nfs/dbraw/zinc/48/74/43/1093487443.db2.gz VIIUMZRUKGNFQP-UHFFFAOYSA-N -1 3 348.407 2.827 20 5 EFBDHM CCCC[C@@H](CC)CNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001590580148 1093499746 /nfs/dbraw/zinc/49/97/46/1093499746.db2.gz XWEOWOBZSAQPNS-SNVBAGLBSA-N -1 3 333.396 2.985 20 5 EFBDHM CCCC[C@@H](CC)CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001590580148 1093499751 /nfs/dbraw/zinc/49/97/51/1093499751.db2.gz XWEOWOBZSAQPNS-SNVBAGLBSA-N -1 3 333.396 2.985 20 5 EFBDHM CCCCn1ncc(Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])c1C ZINC001590615744 1093517085 /nfs/dbraw/zinc/51/70/85/1093517085.db2.gz CMOAXJTYVZFCEK-UHFFFAOYSA-N -1 3 342.363 2.824 20 5 EFBDHM CCCCn1ncc(Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])c1C ZINC001590615744 1093517091 /nfs/dbraw/zinc/51/70/91/1093517091.db2.gz CMOAXJTYVZFCEK-UHFFFAOYSA-N -1 3 342.363 2.824 20 5 EFBDHM CCN(Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[C@@H](C)C(F)(F)F ZINC001590717620 1093551756 /nfs/dbraw/zinc/55/17/56/1093551756.db2.gz XULVNFRFMXHGHW-QMMMGPOBSA-N -1 3 344.297 2.548 20 5 EFBDHM CCN(Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[C@@H](C)C(F)(F)F ZINC001590717620 1093551759 /nfs/dbraw/zinc/55/17/59/1093551759.db2.gz XULVNFRFMXHGHW-QMMMGPOBSA-N -1 3 344.297 2.548 20 5 EFBDHM CCOCCC1(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CCC1 ZINC001590806275 1093579327 /nfs/dbraw/zinc/57/93/27/1093579327.db2.gz RNXVQPMGIZKQCC-UHFFFAOYSA-N -1 3 346.391 2.784 20 5 EFBDHM CCOCCC1(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CCC1 ZINC001590806275 1093579333 /nfs/dbraw/zinc/57/93/33/1093579333.db2.gz RNXVQPMGIZKQCC-UHFFFAOYSA-N -1 3 346.391 2.784 20 5 EFBDHM CC[C@@H]1C[C@H]1Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001590860323 1093604939 /nfs/dbraw/zinc/60/49/39/1093604939.db2.gz NBDFCLLRDSFQTA-AMIZOPFISA-N -1 3 325.332 2.534 20 5 EFBDHM CC[C@@H]1C[C@H]1Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001590860323 1093604941 /nfs/dbraw/zinc/60/49/41/1093604941.db2.gz NBDFCLLRDSFQTA-AMIZOPFISA-N -1 3 325.332 2.534 20 5 EFBDHM CCc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001590877551 1093611158 /nfs/dbraw/zinc/61/11/58/1093611158.db2.gz NVNFUVXCORSYBQ-UHFFFAOYSA-N -1 3 339.311 2.557 20 5 EFBDHM CCc1cc(-c2nn[n-]n2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001590877551 1093611162 /nfs/dbraw/zinc/61/11/62/1093611162.db2.gz NVNFUVXCORSYBQ-UHFFFAOYSA-N -1 3 339.311 2.557 20 5 EFBDHM CCc1ccnc(CNc2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC001590899925 1093626090 /nfs/dbraw/zinc/62/60/90/1093626090.db2.gz COSFUXJMMQWAAY-UHFFFAOYSA-N -1 3 339.359 2.653 20 5 EFBDHM CCc1ccnc(CNc2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC001590899925 1093626092 /nfs/dbraw/zinc/62/60/92/1093626092.db2.gz COSFUXJMMQWAAY-UHFFFAOYSA-N -1 3 339.359 2.653 20 5 EFBDHM CCn1c(C)nc([N+](=O)[O-])c1Oc1cc(Cl)ccc1-c1nnn[n-]1 ZINC001590944174 1093639283 /nfs/dbraw/zinc/63/92/83/1093639283.db2.gz JMSWUURRANYYDZ-UHFFFAOYSA-N -1 3 349.738 2.745 20 5 EFBDHM CCn1c(C)nc([N+](=O)[O-])c1Oc1cc(Cl)ccc1-c1nn[n-]n1 ZINC001590944174 1093639285 /nfs/dbraw/zinc/63/92/85/1093639285.db2.gz JMSWUURRANYYDZ-UHFFFAOYSA-N -1 3 349.738 2.745 20 5 EFBDHM CN(C)c1ccc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1F ZINC001591033623 1093654810 /nfs/dbraw/zinc/65/48/10/1093654810.db2.gz UPCKDNSVVBFNSI-UHFFFAOYSA-N -1 3 343.322 2.724 20 5 EFBDHM CN(C)c1ccc(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1F ZINC001591033623 1093654815 /nfs/dbraw/zinc/65/48/15/1093654815.db2.gz UPCKDNSVVBFNSI-UHFFFAOYSA-N -1 3 343.322 2.724 20 5 EFBDHM CN(Cc1cc(-c2nnn[n-]2)cs1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001591141667 1093672321 /nfs/dbraw/zinc/67/23/21/1093672321.db2.gz QEHRSJKISPMFQS-UHFFFAOYSA-N -1 3 348.363 2.608 20 5 EFBDHM CN(Cc1cc(-c2nn[n-]n2)cs1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001591141667 1093672323 /nfs/dbraw/zinc/67/23/23/1093672323.db2.gz QEHRSJKISPMFQS-UHFFFAOYSA-N -1 3 348.363 2.608 20 5 EFBDHM COC1(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCC(C)CC1 ZINC001591343494 1093699814 /nfs/dbraw/zinc/69/98/14/1093699814.db2.gz XCNYICZGTYWUKT-UHFFFAOYSA-N -1 3 346.391 2.782 20 5 EFBDHM COC1(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCC(C)CC1 ZINC001591343494 1093699817 /nfs/dbraw/zinc/69/98/17/1093699817.db2.gz XCNYICZGTYWUKT-UHFFFAOYSA-N -1 3 346.391 2.782 20 5 EFBDHM COC1(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCC(C)CC1 ZINC001591343250 1093700953 /nfs/dbraw/zinc/70/09/53/1093700953.db2.gz QLJBMHYSJZUWFV-UHFFFAOYSA-N -1 3 346.391 2.782 20 5 EFBDHM COC1(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCC(C)CC1 ZINC001591343250 1093700964 /nfs/dbraw/zinc/70/09/64/1093700964.db2.gz QLJBMHYSJZUWFV-UHFFFAOYSA-N -1 3 346.391 2.782 20 5 EFBDHM COCC1(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCCCC1 ZINC001591388629 1093712448 /nfs/dbraw/zinc/71/24/48/1093712448.db2.gz GVVSFUNDNMOZRN-UHFFFAOYSA-N -1 3 346.391 2.784 20 5 EFBDHM COCC1(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCCCC1 ZINC001591388629 1093712455 /nfs/dbraw/zinc/71/24/55/1093712455.db2.gz GVVSFUNDNMOZRN-UHFFFAOYSA-N -1 3 346.391 2.784 20 5 EFBDHM COc1cc(F)cc(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001591540904 1093758647 /nfs/dbraw/zinc/75/86/47/1093758647.db2.gz UEOHCAOOLIORPP-UHFFFAOYSA-N -1 3 330.279 2.666 20 5 EFBDHM COc1cc(F)cc(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001591540904 1093758650 /nfs/dbraw/zinc/75/86/50/1093758650.db2.gz UEOHCAOOLIORPP-UHFFFAOYSA-N -1 3 330.279 2.666 20 5 EFBDHM COc1cc(Oc2ccc([N+](=O)[O-])cc2F)ccc1-c1nnn[n-]1 ZINC001591554464 1093767517 /nfs/dbraw/zinc/76/75/17/1093767517.db2.gz AGWALHIWBWJONF-UHFFFAOYSA-N -1 3 331.263 2.715 20 5 EFBDHM COc1cc(Oc2ccc([N+](=O)[O-])cc2F)ccc1-c1nn[n-]n1 ZINC001591554464 1093767522 /nfs/dbraw/zinc/76/75/22/1093767522.db2.gz AGWALHIWBWJONF-UHFFFAOYSA-N -1 3 331.263 2.715 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1COc1ccc(-c2nnn[n-]2)cc1F ZINC001591555289 1093767713 /nfs/dbraw/zinc/76/77/13/1093767713.db2.gz UCJYWGHXWYZEOP-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1COc1ccc(-c2nn[n-]n2)cc1F ZINC001591555289 1093767716 /nfs/dbraw/zinc/76/77/16/1093767716.db2.gz UCJYWGHXWYZEOP-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1ccc(OCc2ccc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC001591620768 1093800706 /nfs/dbraw/zinc/80/07/06/1093800706.db2.gz QXZFGZJLCHXVRR-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1ccc(OCc2ccc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC001591620768 1093800712 /nfs/dbraw/zinc/80/07/12/1093800712.db2.gz QXZFGZJLCHXVRR-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM CS[C@H]1CC[C@H](Nc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001591689043 1093823983 /nfs/dbraw/zinc/82/39/83/1093823983.db2.gz BIJDDSYJXCKKGH-YUMQZZPRSA-N -1 3 338.368 2.610 20 5 EFBDHM CS[C@H]1CC[C@H](Nc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001591689043 1093823990 /nfs/dbraw/zinc/82/39/90/1093823990.db2.gz BIJDDSYJXCKKGH-YUMQZZPRSA-N -1 3 338.368 2.610 20 5 EFBDHM C[C@@H](Nc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1)c1cccs1 ZINC001591730093 1093846443 /nfs/dbraw/zinc/84/64/43/1093846443.db2.gz SMRRWEBTGDWZRN-SSDOTTSWSA-N -1 3 331.361 2.592 20 5 EFBDHM C[C@@H](Nc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1)c1cccs1 ZINC001591730093 1093846453 /nfs/dbraw/zinc/84/64/53/1093846453.db2.gz SMRRWEBTGDWZRN-SSDOTTSWSA-N -1 3 331.361 2.592 20 5 EFBDHM C[C@H]1CC[C@H](C(=O)OCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001591772274 1093854635 /nfs/dbraw/zinc/85/46/35/1093854635.db2.gz OLZNIFHINMBUDN-XYPYZODXSA-N -1 3 345.359 2.644 20 5 EFBDHM C[C@H]1CC[C@H](C(=O)OCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1 ZINC001591772274 1093854645 /nfs/dbraw/zinc/85/46/45/1093854645.db2.gz OLZNIFHINMBUDN-XYPYZODXSA-N -1 3 345.359 2.644 20 5 EFBDHM Cc1c(OC(=O)c2cccc(-c3nnn[n-]3)c2C)cccc1[N+](=O)[O-] ZINC001591815216 1093867878 /nfs/dbraw/zinc/86/78/78/1093867878.db2.gz UYAFYEKNRLVFFL-UHFFFAOYSA-N -1 3 339.311 2.611 20 5 EFBDHM Cc1c(OC(=O)c2cccc(-c3nn[n-]n3)c2C)cccc1[N+](=O)[O-] ZINC001591815216 1093867891 /nfs/dbraw/zinc/86/78/91/1093867891.db2.gz UYAFYEKNRLVFFL-UHFFFAOYSA-N -1 3 339.311 2.611 20 5 EFBDHM Cc1cc(COC(=O)c2cscc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001591971922 1093940293 /nfs/dbraw/zinc/94/02/93/1093940293.db2.gz DYQSIPAWEABPGN-UHFFFAOYSA-N -1 3 345.340 2.502 20 5 EFBDHM Cc1cc(COC(=O)c2cscc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591971922 1093940295 /nfs/dbraw/zinc/94/02/95/1093940295.db2.gz DYQSIPAWEABPGN-UHFFFAOYSA-N -1 3 345.340 2.502 20 5 EFBDHM Cc1cc(COc2cc(F)ccc2[N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001591973189 1093940969 /nfs/dbraw/zinc/94/09/69/1093940969.db2.gz ZTJJLPANGQFYRC-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1cc(COc2cc(F)ccc2[N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001591973189 1093940973 /nfs/dbraw/zinc/94/09/73/1093940973.db2.gz ZTJJLPANGQFYRC-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1cc(N(C)Cc2cccc(F)c2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591996788 1093951390 /nfs/dbraw/zinc/95/13/90/1093951390.db2.gz IIYPYAXSHJCIQU-UHFFFAOYSA-N -1 3 342.334 2.859 20 5 EFBDHM Cc1cc(N(C)Cc2cccc(F)c2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591996788 1093951392 /nfs/dbraw/zinc/95/13/92/1093951392.db2.gz IIYPYAXSHJCIQU-UHFFFAOYSA-N -1 3 342.334 2.859 20 5 EFBDHM Cc1cc(N2C[C@@H]3CCCC[C@@H]3C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592010868 1093953039 /nfs/dbraw/zinc/95/30/39/1093953039.db2.gz QUTZSZCDUWFPDJ-TXEJJXNPSA-N -1 3 328.376 2.710 20 5 EFBDHM Cc1cc(N2C[C@@H]3CCCC[C@@H]3C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592010868 1093953042 /nfs/dbraw/zinc/95/30/42/1093953042.db2.gz QUTZSZCDUWFPDJ-TXEJJXNPSA-N -1 3 328.376 2.710 20 5 EFBDHM Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2C)cc(-c2nnn[n-]2)c1 ZINC001592030143 1093960844 /nfs/dbraw/zinc/96/08/44/1093960844.db2.gz JYFOHRVYMRFSLX-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2C)cc(-c2nn[n-]n2)c1 ZINC001592030143 1093960849 /nfs/dbraw/zinc/96/08/49/1093960849.db2.gz JYFOHRVYMRFSLX-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM Cc1cc(NC(=O)c2ccc(C)c(-c3nnn[n-]3)c2)cc([N+](=O)[O-])c1 ZINC001592030064 1093961401 /nfs/dbraw/zinc/96/14/01/1093961401.db2.gz WZKQMOZAPDMHHA-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM Cc1cc(NC(=O)c2ccc(C)c(-c3nn[n-]n3)c2)cc([N+](=O)[O-])c1 ZINC001592030064 1093961406 /nfs/dbraw/zinc/96/14/06/1093961406.db2.gz WZKQMOZAPDMHHA-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM Cc1cc(NC[C@@H]2CCC(C)(C)CO2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592043335 1093965783 /nfs/dbraw/zinc/96/57/83/1093965783.db2.gz DQSXUABKPWCQSN-NSHDSACASA-N -1 3 346.391 2.700 20 5 EFBDHM Cc1cc(NC[C@@H]2CCC(C)(C)CO2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592043335 1093965789 /nfs/dbraw/zinc/96/57/89/1093965789.db2.gz DQSXUABKPWCQSN-NSHDSACASA-N -1 3 346.391 2.700 20 5 EFBDHM Cc1cc(NCc2ccc(-c3nnn[n-]3)c(F)c2)c([N+](=O)[O-])s1 ZINC001592052394 1093966667 /nfs/dbraw/zinc/96/66/67/1093966667.db2.gz IQUPQOLLZULXFA-UHFFFAOYSA-N -1 3 334.336 2.896 20 5 EFBDHM Cc1cc(NCc2ccc(-c3nn[n-]n3)c(F)c2)c([N+](=O)[O-])s1 ZINC001592052394 1093966671 /nfs/dbraw/zinc/96/66/71/1093966671.db2.gz IQUPQOLLZULXFA-UHFFFAOYSA-N -1 3 334.336 2.896 20 5 EFBDHM Cc1cc(Oc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)ccc1F ZINC001592062225 1093971914 /nfs/dbraw/zinc/97/19/14/1093971914.db2.gz FFHAZIGEKCJCCF-UHFFFAOYSA-N -1 3 330.279 2.597 20 5 EFBDHM Cc1cc(Oc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)ccc1F ZINC001592062225 1093971916 /nfs/dbraw/zinc/97/19/16/1093971916.db2.gz FFHAZIGEKCJCCF-UHFFFAOYSA-N -1 3 330.279 2.597 20 5 EFBDHM Cc1cc(Oc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])ccc1[N+](=O)[O-] ZINC001592062499 1093972035 /nfs/dbraw/zinc/97/20/35/1093972035.db2.gz DOTLZFQTCGJDLA-UHFFFAOYSA-N -1 3 342.271 2.784 20 5 EFBDHM Cc1cc(Oc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])ccc1[N+](=O)[O-] ZINC001592062499 1093972036 /nfs/dbraw/zinc/97/20/36/1093972036.db2.gz DOTLZFQTCGJDLA-UHFFFAOYSA-N -1 3 342.271 2.784 20 5 EFBDHM Cc1cc(OCc2cccc([N+](=O)[O-])c2C)ccc1-c1nn[n-]n1 ZINC001592061986 1093972502 /nfs/dbraw/zinc/97/25/02/1093972502.db2.gz RAPULDMHBJPZHL-UHFFFAOYSA-N -1 3 325.328 2.971 20 5 EFBDHM Cc1cc([N+](=O)[O-])ccc1CNc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001592069036 1093973963 /nfs/dbraw/zinc/97/39/63/1093973963.db2.gz YTFOUEOWNDGDAU-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM Cc1cc([N+](=O)[O-])ccc1CNc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001592069036 1093973967 /nfs/dbraw/zinc/97/39/67/1093973967.db2.gz YTFOUEOWNDGDAU-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM Cc1ccc(-c2nnn[n-]2)c(Oc2ccc([N+](=O)[O-])c(Cl)c2)n1 ZINC001592096170 1093977491 /nfs/dbraw/zinc/97/74/91/1093977491.db2.gz ZJPKOCJYPOMDRJ-UHFFFAOYSA-N -1 3 332.707 2.924 20 5 EFBDHM Cc1ccc(-c2nn[n-]n2)c(Oc2ccc([N+](=O)[O-])c(Cl)c2)n1 ZINC001592096170 1093977496 /nfs/dbraw/zinc/97/74/96/1093977496.db2.gz ZJPKOCJYPOMDRJ-UHFFFAOYSA-N -1 3 332.707 2.924 20 5 EFBDHM Cc1ccc(CN2Cc3cccc(-c4nnn[n-]4)c3C2)cc1[N+](=O)[O-] ZINC001592156674 1094005522 /nfs/dbraw/zinc/00/55/22/1094005522.db2.gz OEZJBXCEYJZKRA-UHFFFAOYSA-N -1 3 336.355 2.599 20 5 EFBDHM Cc1ccc(CN2Cc3cccc(-c4nn[n-]n4)c3C2)cc1[N+](=O)[O-] ZINC001592156674 1094005526 /nfs/dbraw/zinc/00/55/26/1094005526.db2.gz OEZJBXCEYJZKRA-UHFFFAOYSA-N -1 3 336.355 2.599 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(Oc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c1 ZINC001592197386 1094024889 /nfs/dbraw/zinc/02/48/89/1094024889.db2.gz JUEVPRWKNNAMCI-UHFFFAOYSA-N -1 3 342.271 2.784 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(Oc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c1 ZINC001592197386 1094024896 /nfs/dbraw/zinc/02/48/96/1094024896.db2.gz JUEVPRWKNNAMCI-UHFFFAOYSA-N -1 3 342.271 2.784 20 5 EFBDHM Cc1ccc(Sc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)s1 ZINC001592196413 1094025440 /nfs/dbraw/zinc/02/54/40/1094025440.db2.gz UAKGLSNGIJYJLB-UHFFFAOYSA-N -1 3 334.386 2.878 20 5 EFBDHM Cc1ccc(Sc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)s1 ZINC001592196413 1094025447 /nfs/dbraw/zinc/02/54/47/1094025447.db2.gz UAKGLSNGIJYJLB-UHFFFAOYSA-N -1 3 334.386 2.878 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1OCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001592197271 1094026107 /nfs/dbraw/zinc/02/61/07/1094026107.db2.gz GCLURYAHWPJQNZ-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1OCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001592197271 1094026114 /nfs/dbraw/zinc/02/61/14/1094026114.db2.gz GCLURYAHWPJQNZ-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1cccc2c1CCN2Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592244566 1094046319 /nfs/dbraw/zinc/04/63/19/1094046319.db2.gz ALGRJHIBGCIMCT-UHFFFAOYSA-N -1 3 336.355 2.646 20 5 EFBDHM Cc1cccc2c1CCN2Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592244566 1094046326 /nfs/dbraw/zinc/04/63/26/1094046326.db2.gz ALGRJHIBGCIMCT-UHFFFAOYSA-N -1 3 336.355 2.646 20 5 EFBDHM Cc1cccnc1[C@H](C)Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001592264310 1094058431 /nfs/dbraw/zinc/05/84/31/1094058431.db2.gz OSTXZDSMWIHAEJ-JTQLQIEISA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1cccnc1[C@H](C)Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001592264310 1094058435 /nfs/dbraw/zinc/05/84/35/1094058435.db2.gz OSTXZDSMWIHAEJ-JTQLQIEISA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1nc(N[C@H](C)c2cccc([N+](=O)[O-])c2)ccc1-c1nnn[n-]1 ZINC001592380995 1094094164 /nfs/dbraw/zinc/09/41/64/1094094164.db2.gz SNLFKKCUMZBGLL-SECBINFHSA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1nc(N[C@H](C)c2cccc([N+](=O)[O-])c2)ccc1-c1nn[n-]n1 ZINC001592380995 1094094171 /nfs/dbraw/zinc/09/41/71/1094094171.db2.gz SNLFKKCUMZBGLL-SECBINFHSA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1ncc(CSCc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])o1 ZINC001592410607 1094102647 /nfs/dbraw/zinc/10/26/47/1094102647.db2.gz WKCOHNGRQSDBCP-UHFFFAOYSA-N -1 3 332.345 2.505 20 5 EFBDHM Cc1ncc(CSCc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])o1 ZINC001592410607 1094102650 /nfs/dbraw/zinc/10/26/50/1094102650.db2.gz WKCOHNGRQSDBCP-UHFFFAOYSA-N -1 3 332.345 2.505 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(Nc2ccc3[nH]ccc3c2)c1-c1nnn[n-]1 ZINC001592758382 1094185571 /nfs/dbraw/zinc/18/55/71/1094185571.db2.gz CBILVYVTGYMHSG-UHFFFAOYSA-N -1 3 336.315 2.582 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(Nc2ccc3[nH]ccc3c2)c1-c1nn[n-]n1 ZINC001592758382 1094185575 /nfs/dbraw/zinc/18/55/75/1094185575.db2.gz CBILVYVTGYMHSG-UHFFFAOYSA-N -1 3 336.315 2.582 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(NC[C@H]2CCC=CCCC2)c1-c1nnn[n-]1 ZINC001592758321 1094186004 /nfs/dbraw/zinc/18/60/04/1094186004.db2.gz UAVCNGDZWNRLQT-NSHDSACASA-N -1 3 343.391 2.906 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(NC[C@H]2CCC=CCCC2)c1-c1nn[n-]n1 ZINC001592758321 1094186007 /nfs/dbraw/zinc/18/60/07/1094186007.db2.gz UAVCNGDZWNRLQT-NSHDSACASA-N -1 3 343.391 2.906 20 5 EFBDHM O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)[nH]cc2-c1nnn[n-]1 ZINC001593247909 1094251911 /nfs/dbraw/zinc/25/19/11/1094251911.db2.gz NBYDEUGKBPICQZ-UHFFFAOYSA-N -1 3 349.310 2.509 20 5 EFBDHM O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)[nH]cc2-c1nn[n-]n1 ZINC001593247909 1094251916 /nfs/dbraw/zinc/25/19/16/1094251916.db2.gz NBYDEUGKBPICQZ-UHFFFAOYSA-N -1 3 349.310 2.509 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cs1 ZINC001593468263 1094311779 /nfs/dbraw/zinc/31/17/79/1094311779.db2.gz BRPUTTKYXOOQPP-UHFFFAOYSA-N -1 3 341.312 2.553 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cs1 ZINC001593468263 1094311789 /nfs/dbraw/zinc/31/17/89/1094311789.db2.gz BRPUTTKYXOOQPP-UHFFFAOYSA-N -1 3 341.312 2.553 20 5 EFBDHM O=[N+]([O-])c1c(NCc2ccc(-c3nnn[n-]3)cc2)ccc2ncccc21 ZINC001593468233 1094311884 /nfs/dbraw/zinc/31/18/84/1094311884.db2.gz AMAFWSZRQHWRHB-UHFFFAOYSA-N -1 3 347.338 2.935 20 5 EFBDHM O=[N+]([O-])c1c(NCc2ccc(-c3nn[n-]n3)cc2)ccc2ncccc21 ZINC001593468233 1094311891 /nfs/dbraw/zinc/31/18/91/1094311891.db2.gz AMAFWSZRQHWRHB-UHFFFAOYSA-N -1 3 347.338 2.935 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NC[C@@H]1C[C@H]1C1CCC1 ZINC001593468870 1094311903 /nfs/dbraw/zinc/31/19/03/1094311903.db2.gz SASOBIJCTUTFOP-UWVGGRQHSA-N -1 3 332.339 2.762 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NC[C@@H]1C[C@H]1C1CCC1 ZINC001593468870 1094311913 /nfs/dbraw/zinc/31/19/13/1094311913.db2.gz SASOBIJCTUTFOP-UWVGGRQHSA-N -1 3 332.339 2.762 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001593468891 1094312215 /nfs/dbraw/zinc/31/22/15/1094312215.db2.gz UZTUCXDTFJPLPW-WCQYABFASA-N -1 3 328.376 2.791 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001593468891 1094312222 /nfs/dbraw/zinc/31/22/22/1094312222.db2.gz UZTUCXDTFJPLPW-WCQYABFASA-N -1 3 328.376 2.791 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1COc1cccc(F)c1F ZINC001593469135 1094312469 /nfs/dbraw/zinc/31/24/69/1094312469.db2.gz XMDRXXPHLVSEFP-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1COc1cccc(F)c1F ZINC001593469135 1094312478 /nfs/dbraw/zinc/31/24/78/1094312478.db2.gz XMDRXXPHLVSEFP-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1CSCc1ccccn1 ZINC001593467535 1094312609 /nfs/dbraw/zinc/31/26/09/1094312609.db2.gz BBUFBLCSDNLKIY-UHFFFAOYSA-N -1 3 328.357 2.603 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1CSCc1ccccn1 ZINC001593467535 1094312620 /nfs/dbraw/zinc/31/26/20/1094312620.db2.gz BBUFBLCSDNLKIY-UHFFFAOYSA-N -1 3 328.357 2.603 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1Cc2ccc(Cl)cc2C1 ZINC001593468139 1094313008 /nfs/dbraw/zinc/31/30/08/1094313008.db2.gz JEMLOVWAMKOGEH-UHFFFAOYSA-N -1 3 342.746 2.949 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1Cc2ccc(Cl)cc2C1 ZINC001593468139 1094313012 /nfs/dbraw/zinc/31/30/12/1094313012.db2.gz JEMLOVWAMKOGEH-UHFFFAOYSA-N -1 3 342.746 2.949 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC001593471473 1094314881 /nfs/dbraw/zinc/31/48/81/1094314881.db2.gz ROODEDFYZHVEEV-HOSYDEDBSA-N -1 3 329.364 2.551 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC001593471473 1094314893 /nfs/dbraw/zinc/31/48/93/1094314893.db2.gz ROODEDFYZHVEEV-HOSYDEDBSA-N -1 3 329.364 2.551 20 5 EFBDHM O=[N+]([O-])c1cc(N2CC[C@H](CC(F)(F)F)C2)ccc1-c1nnn[n-]1 ZINC001593470211 1094315853 /nfs/dbraw/zinc/31/58/53/1094315853.db2.gz BBPDCVGHZHQHTO-MRVPVSSYSA-N -1 3 342.281 2.554 20 5 EFBDHM O=[N+]([O-])c1cc(N[C@H](c2cccnc2)C2CC2)ccc1-c1nnn[n-]1 ZINC001593474067 1094316868 /nfs/dbraw/zinc/31/68/68/1094316868.db2.gz OQSFLMOSNVPOIJ-HNNXBMFYSA-N -1 3 337.343 2.733 20 5 EFBDHM O=[N+]([O-])c1cc(NCCCOC2CCCC2)ccc1-c1nnn[n-]1 ZINC001593474499 1094317775 /nfs/dbraw/zinc/31/77/75/1094317775.db2.gz QPOZMAHLHVTGJI-UHFFFAOYSA-N -1 3 332.364 2.536 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N[C@@H]1C[C@H]1c1ccsc1 ZINC001593474338 1094318564 /nfs/dbraw/zinc/31/85/64/1094318564.db2.gz CUWOTXVMSYVMNH-WDEREUQCSA-N -1 3 328.357 2.804 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N[C@@H]1C[C@H]1c1ccsc1 ZINC001593474338 1094318572 /nfs/dbraw/zinc/31/85/72/1094318572.db2.gz CUWOTXVMSYVMNH-WDEREUQCSA-N -1 3 328.357 2.804 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CCc2cc(F)ccc21 ZINC001593474077 1094318752 /nfs/dbraw/zinc/31/87/52/1094318752.db2.gz DUJHRFAOMJSLNY-UHFFFAOYSA-N -1 3 326.291 2.608 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CCc2cc(F)ccc21 ZINC001593474077 1094318757 /nfs/dbraw/zinc/31/87/57/1094318757.db2.gz DUJHRFAOMJSLNY-UHFFFAOYSA-N -1 3 326.291 2.608 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCc1cccc(F)c1F ZINC001593475210 1094320467 /nfs/dbraw/zinc/32/04/67/1094320467.db2.gz LUEAUHSEABRDTA-UHFFFAOYSA-N -1 3 332.270 2.665 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCc1cccc(F)c1F ZINC001593475210 1094320474 /nfs/dbraw/zinc/32/04/74/1094320474.db2.gz LUEAUHSEABRDTA-UHFFFAOYSA-N -1 3 332.270 2.665 20 5 EFBDHM O=[N+]([O-])c1ccc(F)cc1OCc1ccc(-c2nnn[n-]2)cc1F ZINC001593475859 1094320641 /nfs/dbraw/zinc/32/06/41/1094320641.db2.gz FIUBXOVCERXKPG-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1ccc(F)cc1OCc1ccc(-c2nn[n-]n2)cc1F ZINC001593475859 1094320650 /nfs/dbraw/zinc/32/06/50/1094320650.db2.gz FIUBXOVCERXKPG-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NC[C@H]1CCCC2(CCC2)O1 ZINC001593475449 1094320663 /nfs/dbraw/zinc/32/06/63/1094320663.db2.gz PKPFTEQCNFHWTH-GFCCVEGCSA-N -1 3 344.375 2.679 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NC[C@H]1CCCC2(CCC2)O1 ZINC001593475449 1094320671 /nfs/dbraw/zinc/32/06/71/1094320671.db2.gz PKPFTEQCNFHWTH-GFCCVEGCSA-N -1 3 344.375 2.679 20 5 EFBDHM O=[N+]([O-])c1ccc(CSc2ccncc2-c2nnn[n-]2)cc1F ZINC001593475917 1094320831 /nfs/dbraw/zinc/32/08/31/1094320831.db2.gz SSDNGGIDIPRNDT-UHFFFAOYSA-N -1 3 332.320 2.601 20 5 EFBDHM O=[N+]([O-])c1ccc(CSc2ccncc2-c2nn[n-]n2)cc1F ZINC001593475917 1094320839 /nfs/dbraw/zinc/32/08/39/1094320839.db2.gz SSDNGGIDIPRNDT-UHFFFAOYSA-N -1 3 332.320 2.601 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N[C@@H](C1CC1)[C@@H]1CCCCO1 ZINC001593476455 1094321254 /nfs/dbraw/zinc/32/12/54/1094321254.db2.gz WCGIAEDALGSGJR-GJZGRUSLSA-N -1 3 344.375 2.535 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N[C@@H](C1CC1)[C@@H]1CCCCO1 ZINC001593476455 1094321258 /nfs/dbraw/zinc/32/12/58/1094321258.db2.gz WCGIAEDALGSGJR-GJZGRUSLSA-N -1 3 344.375 2.535 20 5 EFBDHM O=[N+]([O-])c1ccc(Cl)cc1N1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001593476343 1094321615 /nfs/dbraw/zinc/32/16/15/1094321615.db2.gz MLIUVTBGBVWTFF-UHFFFAOYSA-N -1 3 342.746 2.949 20 5 EFBDHM O=[N+]([O-])c1ccc(Cl)cc1N1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001593476343 1094321620 /nfs/dbraw/zinc/32/16/20/1094321620.db2.gz MLIUVTBGBVWTFF-UHFFFAOYSA-N -1 3 342.746 2.949 20 5 EFBDHM O=[N+]([O-])c1ccc(Sc2cccc(-c3nnn[n-]3)c2Cl)nc1 ZINC001593479802 1094323319 /nfs/dbraw/zinc/32/33/19/1094323319.db2.gz YCGXRMWRCMPQPM-UHFFFAOYSA-N -1 3 334.748 2.975 20 5 EFBDHM O=[N+]([O-])c1ccc(Sc2cccc(-c3nn[n-]n3)c2Cl)nc1 ZINC001593479802 1094323330 /nfs/dbraw/zinc/32/33/30/1094323330.db2.gz YCGXRMWRCMPQPM-UHFFFAOYSA-N -1 3 334.748 2.975 20 5 EFBDHM O=[N+]([O-])c1ccc(NCc2ccc3c(c2)CCC3)c(-c2nnn[n-]2)c1 ZINC001593478898 1094323577 /nfs/dbraw/zinc/32/35/77/1094323577.db2.gz PKHIRCWMNAGNAZ-UHFFFAOYSA-N -1 3 336.355 2.876 20 5 EFBDHM O=[N+]([O-])c1ccc(NCc2ccc3c(c2)CCC3)c(-c2nn[n-]n2)c1 ZINC001593478898 1094323589 /nfs/dbraw/zinc/32/35/89/1094323589.db2.gz PKHIRCWMNAGNAZ-UHFFFAOYSA-N -1 3 336.355 2.876 20 5 EFBDHM O=[N+]([O-])c1ccc(NCc2cc(F)cnc2Cl)c(-c2nnn[n-]2)c1 ZINC001593479135 1094324068 /nfs/dbraw/zinc/32/40/68/1094324068.db2.gz VZADHFSNNSQMCP-UHFFFAOYSA-N -1 3 349.713 2.575 20 5 EFBDHM O=[N+]([O-])c1ccc(NCc2cc(F)cnc2Cl)c(-c2nn[n-]n2)c1 ZINC001593479135 1094324080 /nfs/dbraw/zinc/32/40/80/1094324080.db2.gz VZADHFSNNSQMCP-UHFFFAOYSA-N -1 3 349.713 2.575 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N[C@H](C1CC1)[C@H]1CCCCO1 ZINC001593479890 1094324611 /nfs/dbraw/zinc/32/46/11/1094324611.db2.gz BOFAJGQVBUMZJX-ZIAGYGMSSA-N -1 3 344.375 2.535 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N[C@H](C1CC1)[C@H]1CCCCO1 ZINC001593479890 1094324619 /nfs/dbraw/zinc/32/46/19/1094324619.db2.gz BOFAJGQVBUMZJX-ZIAGYGMSSA-N -1 3 344.375 2.535 20 5 EFBDHM O=[N+]([O-])c1ccc2nc(NC3CC(F)(F)C3)cc(-c3nnn[n-]3)c2c1 ZINC001593481290 1094326368 /nfs/dbraw/zinc/32/63/68/1094326368.db2.gz WGGYEEPBCIVABV-UHFFFAOYSA-N -1 3 347.285 2.533 20 5 EFBDHM O=[N+]([O-])c1ccc2nc(NC3CC(F)(F)C3)cc(-c3nn[n-]n3)c2c1 ZINC001593481290 1094326380 /nfs/dbraw/zinc/32/63/80/1094326380.db2.gz WGGYEEPBCIVABV-UHFFFAOYSA-N -1 3 347.285 2.533 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CC[C@H]2CCCC[C@H]2C1 ZINC001593481557 1094327337 /nfs/dbraw/zinc/32/73/37/1094327337.db2.gz RTMNFKUQBGFILV-NEPJUHHUSA-N -1 3 328.376 2.791 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CC[C@H]2CCCC[C@H]2C1 ZINC001593481557 1094327343 /nfs/dbraw/zinc/32/73/43/1094327343.db2.gz RTMNFKUQBGFILV-NEPJUHHUSA-N -1 3 328.376 2.791 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CSC[C@@H]1CCCCO1 ZINC001593481066 1094327668 /nfs/dbraw/zinc/32/76/68/1094327668.db2.gz GSGIPQFLYKQBBE-JTQLQIEISA-N -1 3 335.389 2.577 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1CSC[C@@H]1CCCCO1 ZINC001593481066 1094327674 /nfs/dbraw/zinc/32/76/74/1094327674.db2.gz GSGIPQFLYKQBBE-JTQLQIEISA-N -1 3 335.389 2.577 20 5 EFBDHM O=[N+]([O-])c1ccccc1-c1cnn(Cc2ccccc2-c2nnn[n-]2)c1 ZINC001593484771 1094328273 /nfs/dbraw/zinc/32/82/73/1094328273.db2.gz GBVHZLCQAOLXPF-UHFFFAOYSA-N -1 3 347.338 2.687 20 5 EFBDHM O=[N+]([O-])c1ccccc1-c1cnn(Cc2ccccc2-c2nn[n-]n2)c1 ZINC001593484771 1094328284 /nfs/dbraw/zinc/32/82/84/1094328284.db2.gz GBVHZLCQAOLXPF-UHFFFAOYSA-N -1 3 347.338 2.687 20 5 EFBDHM O=[N+]([O-])c1cnc(N2CCCC3(CCCC3)CC2)c(-c2nnn[n-]2)c1 ZINC001593486407 1094328972 /nfs/dbraw/zinc/32/89/72/1094328972.db2.gz RKWUMBBOSSDVOK-UHFFFAOYSA-N -1 3 343.391 2.721 20 5 EFBDHM O=[N+]([O-])c1cnc(N2CCCC3(CCCC3)CC2)c(-c2nn[n-]n2)c1 ZINC001593486407 1094328979 /nfs/dbraw/zinc/32/89/79/1094328979.db2.gz RKWUMBBOSSDVOK-UHFFFAOYSA-N -1 3 343.391 2.721 20 5 EFBDHM O=[N+]([O-])c1cccc2c(NCc3ccc(-c4nnn[n-]4)cc3)ccnc21 ZINC001593485334 1094329716 /nfs/dbraw/zinc/32/97/16/1094329716.db2.gz NTRACWYIEJMDPR-UHFFFAOYSA-N -1 3 347.338 2.935 20 5 EFBDHM O=[N+]([O-])c1cccc2c(NCc3ccc(-c4nn[n-]n4)cc3)ccnc21 ZINC001593485334 1094329727 /nfs/dbraw/zinc/32/97/27/1094329727.db2.gz NTRACWYIEJMDPR-UHFFFAOYSA-N -1 3 347.338 2.935 20 5 EFBDHM Cc1c(CNCc2ccc(OCC(=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC001600013333 1094721058 /nfs/dbraw/zinc/72/10/58/1094721058.db2.gz HOLFLUNRTCAIHK-UHFFFAOYSA-N -1 3 330.340 2.656 20 5 EFBDHM Cc1cc(N2CCN(C)[C@@H](C(C)(C)C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600240211 1094910919 /nfs/dbraw/zinc/91/09/19/1094910919.db2.gz HWZWDUBQCFWEPP-OAHLLOKOSA-N -1 3 335.404 2.768 20 5 EFBDHM CN(CCCN(C)c1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1[O-] ZINC001112044183 1095697539 /nfs/dbraw/zinc/69/75/39/1095697539.db2.gz HSWZUQXUSVSCKK-UHFFFAOYSA-N -1 3 343.383 2.899 20 5 EFBDHM O=C([O-])COc1ccc(CN2C[C@H](C3CC3)[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC001602083792 1096053335 /nfs/dbraw/zinc/05/33/35/1096053335.db2.gz TUONOAMKABXZPR-KDOFPFPSSA-N -1 3 346.383 2.679 20 5 EFBDHM O=C([O-])c1cc2n(n1)CCC[C@H]2NC/C=C/c1ccccc1[N+](=O)[O-] ZINC001602310568 1096172124 /nfs/dbraw/zinc/17/21/24/1096172124.db2.gz KHJSTVOQVUCIDA-VUUYWXRKSA-N -1 3 342.355 2.627 20 5 EFBDHM CC(=O)c1cccc(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])c1 ZINC001602979137 1096414668 /nfs/dbraw/zinc/41/46/68/1096414668.db2.gz NLLULLDODCJSHU-UHFFFAOYSA-N -1 3 338.327 2.590 20 5 EFBDHM CC(=O)c1cccc(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])c1 ZINC001602979137 1096414674 /nfs/dbraw/zinc/41/46/74/1096414674.db2.gz NLLULLDODCJSHU-UHFFFAOYSA-N -1 3 338.327 2.590 20 5 EFBDHM CC(C)(C)c1cnc(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])o1 ZINC001603120684 1096451486 /nfs/dbraw/zinc/45/14/86/1096451486.db2.gz LIVXMNYSGJTFSG-UHFFFAOYSA-N -1 3 343.347 2.673 20 5 EFBDHM CC(C)(C)c1cnc(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])o1 ZINC001603120684 1096451489 /nfs/dbraw/zinc/45/14/89/1096451489.db2.gz LIVXMNYSGJTFSG-UHFFFAOYSA-N -1 3 343.347 2.673 20 5 EFBDHM CC(C)(CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1cccnc1 ZINC001603150763 1096459847 /nfs/dbraw/zinc/45/98/47/1096459847.db2.gz PNEBJRLINIUSJS-UHFFFAOYSA-N -1 3 339.359 2.560 20 5 EFBDHM CC(C)(CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1cccnc1 ZINC001603150763 1096459851 /nfs/dbraw/zinc/45/98/51/1096459851.db2.gz PNEBJRLINIUSJS-UHFFFAOYSA-N -1 3 339.359 2.560 20 5 EFBDHM CC(C)(CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC001603150580 1096459987 /nfs/dbraw/zinc/45/99/87/1096459987.db2.gz FLAKAUFJYZMTFA-AWEZNQCLSA-N -1 3 346.391 2.782 20 5 EFBDHM CC(C)(CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC001603150580 1096459990 /nfs/dbraw/zinc/45/99/90/1096459990.db2.gz FLAKAUFJYZMTFA-AWEZNQCLSA-N -1 3 346.391 2.782 20 5 EFBDHM CC(C)[C@@H]1C[C@H](CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CCO1 ZINC001603241831 1096482642 /nfs/dbraw/zinc/48/26/42/1096482642.db2.gz ZPSTYGIFZLJUEM-ABAIWWIYSA-N -1 3 346.391 2.638 20 5 EFBDHM CC(C)[C@@H]1C[C@H](CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CCO1 ZINC001603241831 1096482646 /nfs/dbraw/zinc/48/26/46/1096482646.db2.gz ZPSTYGIFZLJUEM-ABAIWWIYSA-N -1 3 346.391 2.638 20 5 EFBDHM CC(C)[C@@H]1N(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC12CC=CC2 ZINC001603254330 1096486789 /nfs/dbraw/zinc/48/67/89/1096486789.db2.gz XLDYYOPNFDEULX-HNNXBMFYSA-N -1 3 340.387 2.956 20 5 EFBDHM CC(C)[C@@H]1N(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC12CC=CC2 ZINC001603254330 1096486794 /nfs/dbraw/zinc/48/67/94/1096486794.db2.gz XLDYYOPNFDEULX-HNNXBMFYSA-N -1 3 340.387 2.956 20 5 EFBDHM CC(C)OC1CCC(Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001603346575 1096509529 /nfs/dbraw/zinc/50/95/29/1096509529.db2.gz BGQIBCJMMCPNPZ-UHFFFAOYSA-N -1 3 346.391 2.923 20 5 EFBDHM CC(C)OC1CCC(Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1 ZINC001603346575 1096509539 /nfs/dbraw/zinc/50/95/39/1096509539.db2.gz BGQIBCJMMCPNPZ-UHFFFAOYSA-N -1 3 346.391 2.923 20 5 EFBDHM C[C@H](Cc1ccsc1)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001603590325 1096562832 /nfs/dbraw/zinc/56/28/32/1096562832.db2.gz YYOWOKZOBAPZCN-SECBINFHSA-N -1 3 330.373 2.880 20 5 EFBDHM C[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1cc(-c2nnn[n-]2)ccn1 ZINC001603676484 1096588144 /nfs/dbraw/zinc/58/81/44/1096588144.db2.gz FXQBPLYSNAOTEA-QWRGUYRKSA-N -1 3 339.359 2.582 20 5 EFBDHM C[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1cc(-c2nn[n-]n2)ccn1 ZINC001603676484 1096588148 /nfs/dbraw/zinc/58/81/48/1096588148.db2.gz FXQBPLYSNAOTEA-QWRGUYRKSA-N -1 3 339.359 2.582 20 5 EFBDHM CC1(C)CC(Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001603765055 1096617736 /nfs/dbraw/zinc/61/77/36/1096617736.db2.gz QXVTVRFILACTPE-UHFFFAOYSA-N -1 3 339.359 2.924 20 5 EFBDHM CC1(C)CC(Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001603765055 1096617740 /nfs/dbraw/zinc/61/77/40/1096617740.db2.gz QXVTVRFILACTPE-UHFFFAOYSA-N -1 3 339.359 2.924 20 5 EFBDHM C[C@]1(CCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@]1(F)Cl ZINC001603799858 1096631909 /nfs/dbraw/zinc/63/19/09/1096631909.db2.gz DEOVZDJRWMVZKX-STQMWFEESA-N -1 3 340.746 2.892 20 5 EFBDHM C[C@]1(CCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@@]1(F)Cl ZINC001603799858 1096631913 /nfs/dbraw/zinc/63/19/13/1096631913.db2.gz DEOVZDJRWMVZKX-STQMWFEESA-N -1 3 340.746 2.892 20 5 EFBDHM C[C@@]1(c2ccccc2)C[C@@H]1Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001603819522 1096635296 /nfs/dbraw/zinc/63/52/96/1096635296.db2.gz PAOKXERXNJHMKQ-RDJZCZTQSA-N -1 3 336.355 2.917 20 5 EFBDHM C[C@@]1(c2ccccc2)C[C@@H]1Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001603819522 1096635299 /nfs/dbraw/zinc/63/52/99/1096635299.db2.gz PAOKXERXNJHMKQ-RDJZCZTQSA-N -1 3 336.355 2.917 20 5 EFBDHM CC1(Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCC1 ZINC001603820420 1096636989 /nfs/dbraw/zinc/63/69/89/1096636989.db2.gz KJENNJMOORJZTL-UHFFFAOYSA-N -1 3 325.332 2.678 20 5 EFBDHM CC1(Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCC1 ZINC001603820420 1096636993 /nfs/dbraw/zinc/63/69/93/1096636993.db2.gz KJENNJMOORJZTL-UHFFFAOYSA-N -1 3 325.332 2.678 20 5 EFBDHM C[C@@H]1CCC[C@@H](C(=O)OCc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001603884606 1096657729 /nfs/dbraw/zinc/65/77/29/1096657729.db2.gz QLOLOTDRMJWNII-ZYHUDNBSSA-N -1 3 345.359 2.644 20 5 EFBDHM C[C@@H]1CCC[C@@H](C(=O)OCc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001603884606 1096657733 /nfs/dbraw/zinc/65/77/33/1096657733.db2.gz QLOLOTDRMJWNII-ZYHUDNBSSA-N -1 3 345.359 2.644 20 5 EFBDHM C[C@@H]1CCC[C@H](CNc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)[C@H]1C ZINC001603888727 1096660229 /nfs/dbraw/zinc/66/02/29/1096660229.db2.gz ZVNVLBPLXCQXKY-OUAUKWLOSA-N -1 3 345.407 2.841 20 5 EFBDHM C[C@@H]1CCC[C@H](CNc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)[C@H]1C ZINC001603888727 1096660232 /nfs/dbraw/zinc/66/02/32/1096660232.db2.gz ZVNVLBPLXCQXKY-OUAUKWLOSA-N -1 3 345.407 2.841 20 5 EFBDHM CC[C@H](C)[C@H](CNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1)OC ZINC001604000270 1096692019 /nfs/dbraw/zinc/69/20/19/1096692019.db2.gz OPPOYGUERDNTKW-XPTSAGLGSA-N -1 3 334.380 2.556 20 5 EFBDHM CC[C@H](C)[C@H](CNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1)OC ZINC001604000270 1096692021 /nfs/dbraw/zinc/69/20/21/1096692021.db2.gz OPPOYGUERDNTKW-XPTSAGLGSA-N -1 3 334.380 2.556 20 5 EFBDHM CCCN(C[C@H]1CCCCO1)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001604204854 1096772393 /nfs/dbraw/zinc/77/23/93/1096772393.db2.gz HYLVIKWYAARAOG-CYBMUJFWSA-N -1 3 346.391 2.560 20 5 EFBDHM CC[C@@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC001605040507 1097009694 /nfs/dbraw/zinc/00/96/94/1097009694.db2.gz QOPVOKUIQIRWQQ-JTQLQIEISA-N -1 3 335.385 2.919 20 5 EFBDHM COc1cc(Oc2cc(C)sc2[N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001605238943 1097064675 /nfs/dbraw/zinc/06/46/75/1097064675.db2.gz QNAXLNPMFXRGJR-UHFFFAOYSA-N -1 3 333.329 2.946 20 5 EFBDHM COc1cc(Oc2cc(C)sc2[N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001605238943 1097064681 /nfs/dbraw/zinc/06/46/81/1097064681.db2.gz QNAXLNPMFXRGJR-UHFFFAOYSA-N -1 3 333.329 2.946 20 5 EFBDHM COc1ccc(OCc2ccc(-c3nnn[n-]3)c(F)c2)cc1[N+](=O)[O-] ZINC001605303850 1097089133 /nfs/dbraw/zinc/08/91/33/1097089133.db2.gz PSWWTHJVOIQBSB-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1ccc(OCc2ccc(-c3nn[n-]n3)c(F)c2)cc1[N+](=O)[O-] ZINC001605303850 1097089137 /nfs/dbraw/zinc/08/91/37/1097089137.db2.gz PSWWTHJVOIQBSB-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM Cc1cc(C)c(CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])cn1 ZINC001605641846 1097177074 /nfs/dbraw/zinc/17/70/74/1097177074.db2.gz JEVJXGDMYUDEJA-UHFFFAOYSA-N -1 3 343.322 2.538 20 5 EFBDHM Cc1cc(C)c(CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])cn1 ZINC001605641846 1097177078 /nfs/dbraw/zinc/17/70/78/1097177078.db2.gz JEVJXGDMYUDEJA-UHFFFAOYSA-N -1 3 343.322 2.538 20 5 EFBDHM Cc1cc(CSCc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])no1 ZINC001605667114 1097186503 /nfs/dbraw/zinc/18/65/03/1097186503.db2.gz DKEVHPDEVHLZSI-UHFFFAOYSA-N -1 3 332.345 2.505 20 5 EFBDHM Cc1cc(CSCc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])no1 ZINC001605667114 1097186506 /nfs/dbraw/zinc/18/65/06/1097186506.db2.gz DKEVHPDEVHLZSI-UHFFFAOYSA-N -1 3 332.345 2.505 20 5 EFBDHM Cc1cc(N(C)Cc2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])s1 ZINC001605687978 1097195620 /nfs/dbraw/zinc/19/56/20/1097195620.db2.gz FSHQMHZJRXQVHC-UHFFFAOYSA-N -1 3 330.373 2.781 20 5 EFBDHM Cc1cc(N(C)Cc2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])s1 ZINC001605687978 1097195623 /nfs/dbraw/zinc/19/56/23/1097195623.db2.gz FSHQMHZJRXQVHC-UHFFFAOYSA-N -1 3 330.373 2.781 20 5 EFBDHM Cc1cc(N2CCC[C@@H](CCF)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605695870 1097197409 /nfs/dbraw/zinc/19/74/09/1097197409.db2.gz VJKQHVOUYFIMLE-NSHDSACASA-N -1 3 334.355 2.659 20 5 EFBDHM Cc1cc(N2CCC[C@@H](CCF)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605695870 1097197414 /nfs/dbraw/zinc/19/74/14/1097197414.db2.gz VJKQHVOUYFIMLE-NSHDSACASA-N -1 3 334.355 2.659 20 5 EFBDHM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc([N+](=O)[O-])c1 ZINC001605716746 1097205139 /nfs/dbraw/zinc/20/51/39/1097205139.db2.gz SZWMJCXXAZEPDY-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc([N+](=O)[O-])c1 ZINC001605716746 1097205142 /nfs/dbraw/zinc/20/51/42/1097205142.db2.gz SZWMJCXXAZEPDY-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM Cc1cc(N[C@H](C)c2ccccn2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605717626 1097207311 /nfs/dbraw/zinc/20/73/11/1097207311.db2.gz LSGNALSFBPXSLO-SNVBAGLBSA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1cc(N[C@H](C)c2ccccn2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605717626 1097207317 /nfs/dbraw/zinc/20/73/17/1097207317.db2.gz LSGNALSFBPXSLO-SNVBAGLBSA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1cc(NC2C[C@H]3CC[C@@H](C2)S3)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605722634 1097208326 /nfs/dbraw/zinc/20/83/26/1097208326.db2.gz HAJPZCDUUWDRCL-FGWVZKOKSA-N -1 3 346.416 2.922 20 5 EFBDHM Cc1cc(NC2C[C@H]3CC[C@@H](C2)S3)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605722634 1097208330 /nfs/dbraw/zinc/20/83/30/1097208330.db2.gz HAJPZCDUUWDRCL-FGWVZKOKSA-N -1 3 346.416 2.922 20 5 EFBDHM Cc1cc(NCCCC(C)(F)F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605730777 1097208947 /nfs/dbraw/zinc/20/89/47/1097208947.db2.gz QHBDNPFBOYJVCF-UHFFFAOYSA-N -1 3 326.307 2.931 20 5 EFBDHM Cc1cc(NCCCC(C)(F)F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605730777 1097208950 /nfs/dbraw/zinc/20/89/50/1097208950.db2.gz QHBDNPFBOYJVCF-UHFFFAOYSA-N -1 3 326.307 2.931 20 5 EFBDHM Cc1cc(NCCCc2ccccn2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605733750 1097209603 /nfs/dbraw/zinc/20/96/03/1097209603.db2.gz KVRGEIQSRIPYDQ-UHFFFAOYSA-N -1 3 339.359 2.523 20 5 EFBDHM Cc1cc(NCCCc2ccccn2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605733750 1097209609 /nfs/dbraw/zinc/20/96/09/1097209609.db2.gz KVRGEIQSRIPYDQ-UHFFFAOYSA-N -1 3 339.359 2.523 20 5 EFBDHM Cc1cc(Oc2cc(C)c([N+](=O)[O-])cc2F)ncc1-c1nnn[n-]1 ZINC001605749641 1097215169 /nfs/dbraw/zinc/21/51/69/1097215169.db2.gz DMMRRHUQVTTYOB-UHFFFAOYSA-N -1 3 330.279 2.718 20 5 EFBDHM Cc1cc(Oc2cc(C)c([N+](=O)[O-])cc2F)ncc1-c1nn[n-]n1 ZINC001605749641 1097215172 /nfs/dbraw/zinc/21/51/72/1097215172.db2.gz DMMRRHUQVTTYOB-UHFFFAOYSA-N -1 3 330.279 2.718 20 5 EFBDHM Cc1ccc(C[C@@H](C)Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])s1 ZINC001605842750 1097247976 /nfs/dbraw/zinc/24/79/76/1097247976.db2.gz ZHGOPNMJKBDNRC-MRVPVSSYSA-N -1 3 345.388 2.583 20 5 EFBDHM Cc1ccc(C[C@@H](C)Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])s1 ZINC001605842750 1097247979 /nfs/dbraw/zinc/24/79/79/1097247979.db2.gz ZHGOPNMJKBDNRC-MRVPVSSYSA-N -1 3 345.388 2.583 20 5 EFBDHM Cc1cccc(NCCOc2ccc(-c3nn[n-]n3)cc2)c1[N+](=O)[O-] ZINC001605919873 1097275907 /nfs/dbraw/zinc/27/59/07/1097275907.db2.gz UMXSGZBSSJUQGT-UHFFFAOYSA-N -1 3 340.343 2.574 20 5 EFBDHM Cc1cnc([C@H](C)CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])s1 ZINC001605978025 1097290759 /nfs/dbraw/zinc/29/07/59/1097290759.db2.gz LNBZUUPVPMOLSK-MRVPVSSYSA-N -1 3 345.388 2.755 20 5 EFBDHM Cc1cnc([C@H](C)CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])s1 ZINC001605978025 1097290765 /nfs/dbraw/zinc/29/07/65/1097290765.db2.gz LNBZUUPVPMOLSK-MRVPVSSYSA-N -1 3 345.388 2.755 20 5 EFBDHM Cc1ncc([N+](=O)[O-])c(OCc2cc(-c3nnn[n-]3)ccc2F)c1C ZINC001606092659 1097317626 /nfs/dbraw/zinc/31/76/26/1097317626.db2.gz AZTKBXBTYKVECN-UHFFFAOYSA-N -1 3 344.306 2.505 20 5 EFBDHM Cc1ncc([N+](=O)[O-])c(OCc2cc(-c3nn[n-]n3)ccc2F)c1C ZINC001606092659 1097317631 /nfs/dbraw/zinc/31/76/31/1097317631.db2.gz AZTKBXBTYKVECN-UHFFFAOYSA-N -1 3 344.306 2.505 20 5 EFBDHM CN(CCOc1ccccc1[N+](=O)[O-])Cc1ccc(C(=O)[O-])cc1 ZINC001606138504 1097324891 /nfs/dbraw/zinc/32/48/91/1097324891.db2.gz WXLKHFWYHJSTBW-UHFFFAOYSA-N -1 3 330.340 2.804 20 5 EFBDHM CN(CCOc1cccc(C(=O)[O-])c1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC001606136654 1097325257 /nfs/dbraw/zinc/32/52/57/1097325257.db2.gz VKHKJOPPUQMNFP-UHFFFAOYSA-N -1 3 348.330 2.943 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(Sc2ccc(F)cc2)c1-c1nnn[n-]1 ZINC001606451248 1097402868 /nfs/dbraw/zinc/40/28/68/1097402868.db2.gz HKLCSWDFWRHDKL-UHFFFAOYSA-N -1 3 332.320 2.647 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(Sc2ccc(F)cc2)c1-c1nn[n-]n1 ZINC001606451248 1097402872 /nfs/dbraw/zinc/40/28/72/1097402872.db2.gz HKLCSWDFWRHDKL-UHFFFAOYSA-N -1 3 332.320 2.647 20 5 EFBDHM O=Cc1ccc(Oc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])c(F)c1 ZINC001607056825 1097504627 /nfs/dbraw/zinc/50/46/27/1097504627.db2.gz RMKARNKWKFZLGL-UHFFFAOYSA-N -1 3 329.247 2.519 20 5 EFBDHM O=Cc1ccc(Oc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])c(F)c1 ZINC001607056825 1097504632 /nfs/dbraw/zinc/50/46/32/1097504632.db2.gz RMKARNKWKFZLGL-UHFFFAOYSA-N -1 3 329.247 2.519 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N[C@@H](C1CC1)C1CCC1 ZINC001607077032 1097505248 /nfs/dbraw/zinc/50/52/48/1097505248.db2.gz GDJORTPQECRFRC-CQSZACIVSA-N -1 3 332.339 2.905 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N[C@@H](C1CC1)C1CCC1 ZINC001607077032 1097505252 /nfs/dbraw/zinc/50/52/52/1097505252.db2.gz GDJORTPQECRFRC-CQSZACIVSA-N -1 3 332.339 2.905 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NCc1ccc(F)cc1 ZINC001607076704 1097505688 /nfs/dbraw/zinc/50/56/88/1097505688.db2.gz AWXHPAFSCCDJBD-UHFFFAOYSA-N -1 3 332.270 2.665 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NCc1ccc(F)cc1 ZINC001607076704 1097505693 /nfs/dbraw/zinc/50/56/93/1097505693.db2.gz AWXHPAFSCCDJBD-UHFFFAOYSA-N -1 3 332.270 2.665 20 5 EFBDHM O=[N+]([O-])c1cc(N(CC2CC2)CC2CCC2)ccc1-c1nnn[n-]1 ZINC001607079033 1097506953 /nfs/dbraw/zinc/50/69/53/1097506953.db2.gz VGUXYADZSQVDSL-UHFFFAOYSA-N -1 3 328.376 2.791 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H](c1ccccn1)C1CC1 ZINC001607078686 1097507198 /nfs/dbraw/zinc/50/71/98/1097507198.db2.gz CBFPOGYONPWNBO-HNNXBMFYSA-N -1 3 337.343 2.733 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H](c1ccccn1)C1CC1 ZINC001607078686 1097507204 /nfs/dbraw/zinc/50/72/04/1097507204.db2.gz CBFPOGYONPWNBO-HNNXBMFYSA-N -1 3 337.343 2.733 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1Oc1ccc2cnccc2c1 ZINC001607078820 1097507373 /nfs/dbraw/zinc/50/73/73/1097507373.db2.gz OGRBPYSCBRJDGR-UHFFFAOYSA-N -1 3 335.283 2.510 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1Oc1ccc2cnccc2c1 ZINC001607078820 1097507378 /nfs/dbraw/zinc/50/73/78/1097507378.db2.gz OGRBPYSCBRJDGR-UHFFFAOYSA-N -1 3 335.283 2.510 20 5 EFBDHM O=[N+]([O-])c1ccc(NC[C@@H]2CCC3(CCC3)CO2)c(-c2nnn[n-]2)c1 ZINC001607082930 1097507712 /nfs/dbraw/zinc/50/77/12/1097507712.db2.gz WZMXSXPGXPQNOR-LBPRGKRZSA-N -1 3 344.375 2.536 20 5 EFBDHM O=[N+]([O-])c1ccc(NC[C@@H]2CCC3(CCC3)CO2)c(-c2nn[n-]n2)c1 ZINC001607082930 1097507716 /nfs/dbraw/zinc/50/77/16/1097507716.db2.gz WZMXSXPGXPQNOR-LBPRGKRZSA-N -1 3 344.375 2.536 20 5 EFBDHM O=[N+]([O-])c1ccc(NC(=S)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001607082348 1097507760 /nfs/dbraw/zinc/50/77/60/1097507760.db2.gz OZKGMYXYEHRCHX-UHFFFAOYSA-N -1 3 341.356 2.584 20 5 EFBDHM O=[N+]([O-])c1ccc(NC(=S)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001607082348 1097507765 /nfs/dbraw/zinc/50/77/65/1097507765.db2.gz OZKGMYXYEHRCHX-UHFFFAOYSA-N -1 3 341.356 2.584 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CCC[C@@H](C3CCC3)C2)c(-c2nnn[n-]2)c1 ZINC001607081369 1097508134 /nfs/dbraw/zinc/50/81/34/1097508134.db2.gz IPNIJPVVXYPDFG-GFCCVEGCSA-N -1 3 328.376 2.791 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CCC[C@@H](C3CCC3)C2)c(-c2nn[n-]n2)c1 ZINC001607081369 1097508139 /nfs/dbraw/zinc/50/81/39/1097508139.db2.gz IPNIJPVVXYPDFG-GFCCVEGCSA-N -1 3 328.376 2.791 20 5 EFBDHM O=[N+]([O-])c1ccc(N2Cc3ccc(-c4nnn[n-]4)cc3C2)c(Cl)c1 ZINC001607082375 1097508597 /nfs/dbraw/zinc/50/85/97/1097508597.db2.gz PUSCFEQXSWNLRH-UHFFFAOYSA-N -1 3 342.746 2.949 20 5 EFBDHM O=[N+]([O-])c1ccc(N2Cc3ccc(-c4nn[n-]n4)cc3C2)c(Cl)c1 ZINC001607082375 1097508600 /nfs/dbraw/zinc/50/86/00/1097508600.db2.gz PUSCFEQXSWNLRH-UHFFFAOYSA-N -1 3 342.746 2.949 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CC3(CCC3)[C@H]2C2CC2)c(-c2nnn[n-]2)c1 ZINC001607082482 1097508632 /nfs/dbraw/zinc/50/86/32/1097508632.db2.gz WZOJDUXRRPOJBJ-CQSZACIVSA-N -1 3 326.360 2.544 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CC3(CCC3)[C@H]2C2CC2)c(-c2nn[n-]n2)c1 ZINC001607082482 1097508635 /nfs/dbraw/zinc/50/86/35/1097508635.db2.gz WZOJDUXRRPOJBJ-CQSZACIVSA-N -1 3 326.360 2.544 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCCCOC1CCCCC1 ZINC001607081581 1097508644 /nfs/dbraw/zinc/50/86/44/1097508644.db2.gz HOYNNMDASGAVAI-UHFFFAOYSA-N -1 3 346.391 2.926 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCCCOC1CCCCC1 ZINC001607081581 1097508649 /nfs/dbraw/zinc/50/86/49/1097508649.db2.gz HOYNNMDASGAVAI-UHFFFAOYSA-N -1 3 346.391 2.926 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NCc1cccc(C(F)F)c1 ZINC001607080918 1097509052 /nfs/dbraw/zinc/50/90/52/1097509052.db2.gz UTSQLFBBJULOBG-UHFFFAOYSA-N -1 3 347.285 2.720 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NCc1cccc(C(F)F)c1 ZINC001607080918 1097509056 /nfs/dbraw/zinc/50/90/56/1097509056.db2.gz UTSQLFBBJULOBG-UHFFFAOYSA-N -1 3 347.285 2.720 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2cn(Cc3cccc(-c4nnn[n-]4)c3)cn2)cc1 ZINC001607080293 1097509061 /nfs/dbraw/zinc/50/90/61/1097509061.db2.gz SLXLCDYTAKXQIU-UHFFFAOYSA-N -1 3 347.338 2.687 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2cn(Cc3cccc(-c4nn[n-]n4)c3)cn2)cc1 ZINC001607080293 1097509065 /nfs/dbraw/zinc/50/90/65/1097509065.db2.gz SLXLCDYTAKXQIU-UHFFFAOYSA-N -1 3 347.338 2.687 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@@H](C2CC2)[C@@H]2CCCCO2)c(-c2nnn[n-]2)c1 ZINC001607082963 1097509259 /nfs/dbraw/zinc/50/92/59/1097509259.db2.gz YJGXEWWURYUXRY-GJZGRUSLSA-N -1 3 344.375 2.535 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@@H](C2CC2)[C@@H]2CCCCO2)c(-c2nn[n-]n2)c1 ZINC001607082963 1097509264 /nfs/dbraw/zinc/50/92/64/1097509264.db2.gz YJGXEWWURYUXRY-GJZGRUSLSA-N -1 3 344.375 2.535 20 5 EFBDHM O=[N+]([O-])c1cccc(F)c1NCCc1ccc(-c2nnn[n-]2)cc1 ZINC001607084702 1097509322 /nfs/dbraw/zinc/50/93/22/1097509322.db2.gz UGQRERNLNAIDSV-UHFFFAOYSA-N -1 3 328.307 2.569 20 5 EFBDHM O=[N+]([O-])c1cccc(F)c1NCCc1ccc(-c2nn[n-]n2)cc1 ZINC001607084702 1097509326 /nfs/dbraw/zinc/50/93/26/1097509326.db2.gz UGQRERNLNAIDSV-UHFFFAOYSA-N -1 3 328.307 2.569 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1Nc1ccc2c(c1)CCCO2 ZINC001607084512 1097509650 /nfs/dbraw/zinc/50/96/50/1097509650.db2.gz JXEHCPOYHDCPSK-UHFFFAOYSA-N -1 3 338.327 2.844 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1Nc1ccc2c(c1)CCCO2 ZINC001607084512 1097509654 /nfs/dbraw/zinc/50/96/54/1097509654.db2.gz JXEHCPOYHDCPSK-UHFFFAOYSA-N -1 3 338.327 2.844 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CCC[C@H]1c1ccccn1 ZINC001607083134 1097509962 /nfs/dbraw/zinc/50/99/62/1097509962.db2.gz XUAWWICXAGFAQF-ZDUSSCGKSA-N -1 3 337.343 2.511 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CCC[C@H]1c1ccccn1 ZINC001607083134 1097509968 /nfs/dbraw/zinc/50/99/68/1097509968.db2.gz XUAWWICXAGFAQF-ZDUSSCGKSA-N -1 3 337.343 2.511 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCc1ccc2ncccc2c1 ZINC001607083091 1097510199 /nfs/dbraw/zinc/51/01/99/1097510199.db2.gz WSCYWPSSFDGCMT-UHFFFAOYSA-N -1 3 347.338 2.935 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCc1ccc2ncccc2c1 ZINC001607083091 1097510202 /nfs/dbraw/zinc/51/02/02/1097510202.db2.gz WSCYWPSSFDGCMT-UHFFFAOYSA-N -1 3 347.338 2.935 20 5 EFBDHM O=[N+]([O-])c1cnc(N[C@H](C2CCC2)C2CCCC2)c(-c2nnn[n-]2)c1 ZINC001607086826 1097511029 /nfs/dbraw/zinc/51/10/29/1097511029.db2.gz SFYLSHSTEGKRMG-AWEZNQCLSA-N -1 3 343.391 2.941 20 5 EFBDHM O=[N+]([O-])c1cnc(N[C@H](C2CCC2)C2CCCC2)c(-c2nn[n-]n2)c1 ZINC001607086826 1097511034 /nfs/dbraw/zinc/51/10/34/1097511034.db2.gz SFYLSHSTEGKRMG-AWEZNQCLSA-N -1 3 343.391 2.941 20 5 EFBDHM O=C([O-])[C@@]1(c2ccccc2)CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC001608580396 1097960191 /nfs/dbraw/zinc/96/01/91/1097960191.db2.gz CHXVVFBGUOTBGS-SFHVURJKSA-N -1 3 344.342 2.962 20 5 EFBDHM O=C([O-])COc1ccc(CN2CC[C@@H](c3ccco3)C2)cc1[N+](=O)[O-] ZINC001608758901 1098011281 /nfs/dbraw/zinc/01/12/81/1098011281.db2.gz MAQXHFFSEUVZIF-CYBMUJFWSA-N -1 3 346.339 2.641 20 5 EFBDHM CC(C)(C)OC1CCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC1 ZINC001609079367 1098133772 /nfs/dbraw/zinc/13/37/72/1098133772.db2.gz PZJJEXXMESETMN-UHFFFAOYSA-N -1 3 346.391 2.559 20 5 EFBDHM CC(C)(C)OC1CCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CC1 ZINC001609079367 1098133774 /nfs/dbraw/zinc/13/37/74/1098133774.db2.gz PZJJEXXMESETMN-UHFFFAOYSA-N -1 3 346.391 2.559 20 5 EFBDHM CC(C)(CC(F)(F)F)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609083165 1098135636 /nfs/dbraw/zinc/13/56/36/1098135636.db2.gz YLHCRNYNMWFUET-UHFFFAOYSA-N -1 3 330.270 2.918 20 5 EFBDHM CC(C)(CC(F)(F)F)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609083165 1098135641 /nfs/dbraw/zinc/13/56/41/1098135641.db2.gz YLHCRNYNMWFUET-UHFFFAOYSA-N -1 3 330.270 2.918 20 5 EFBDHM CC(C)(Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)C(F)F ZINC001609084948 1098137005 /nfs/dbraw/zinc/13/70/05/1098137005.db2.gz MUUIOPQVXDQXAZ-UHFFFAOYSA-N -1 3 349.301 2.779 20 5 EFBDHM CC(C)(Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)C(F)F ZINC001609084948 1098137007 /nfs/dbraw/zinc/13/70/07/1098137007.db2.gz MUUIOPQVXDQXAZ-UHFFFAOYSA-N -1 3 349.301 2.779 20 5 EFBDHM CC(C)O[C@@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1(C)C ZINC001609100896 1098145478 /nfs/dbraw/zinc/14/54/78/1098145478.db2.gz LAPGXRUDYGRETI-ZIAGYGMSSA-N -1 3 346.391 2.779 20 5 EFBDHM CC(C)O[C@@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1(C)C ZINC001609100896 1098145483 /nfs/dbraw/zinc/14/54/83/1098145483.db2.gz LAPGXRUDYGRETI-ZIAGYGMSSA-N -1 3 346.391 2.779 20 5 EFBDHM C[C@H](CCc1ccco1)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001609112244 1098151799 /nfs/dbraw/zinc/15/17/99/1098151799.db2.gz YTSIGOGVHATVDK-SNVBAGLBSA-N -1 3 328.332 2.801 20 5 EFBDHM C[C@H](CCc1ccco1)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001609112244 1098151804 /nfs/dbraw/zinc/15/18/04/1098151804.db2.gz YTSIGOGVHATVDK-SNVBAGLBSA-N -1 3 328.332 2.801 20 5 EFBDHM C[C@@H](CCc1ccco1)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001609112243 1098152151 /nfs/dbraw/zinc/15/21/51/1098152151.db2.gz YTSIGOGVHATVDK-JTQLQIEISA-N -1 3 328.332 2.801 20 5 EFBDHM C[C@@H](CCc1ccco1)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001609112243 1098152154 /nfs/dbraw/zinc/15/21/54/1098152154.db2.gz YTSIGOGVHATVDK-JTQLQIEISA-N -1 3 328.332 2.801 20 5 EFBDHM C[C@@H](Oc1ccc([N+](=O)[O-])cc1C=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001609135497 1098163297 /nfs/dbraw/zinc/16/32/97/1098163297.db2.gz VQKYFMOZQCAEAN-SNVBAGLBSA-N -1 3 339.311 2.727 20 5 EFBDHM C[C@@H](Oc1ccc([N+](=O)[O-])cc1C=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001609135497 1098163300 /nfs/dbraw/zinc/16/33/00/1098163300.db2.gz VQKYFMOZQCAEAN-SNVBAGLBSA-N -1 3 339.311 2.727 20 5 EFBDHM C[C@@]1(c2ccccc2)C[C@H]1Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609151551 1098171612 /nfs/dbraw/zinc/17/16/12/1098171612.db2.gz LOUWZVJSBWITJG-WBVHZDCISA-N -1 3 336.355 2.917 20 5 EFBDHM C[C@@H]1C[C@@H](CCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC001609156400 1098172533 /nfs/dbraw/zinc/17/25/33/1098172533.db2.gz HMKSKGHEGOPYPC-ZSBIGDGJSA-N -1 3 346.391 2.781 20 5 EFBDHM C[C@@H]1C[C@@H](CCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC001609156400 1098172535 /nfs/dbraw/zinc/17/25/35/1098172535.db2.gz HMKSKGHEGOPYPC-ZSBIGDGJSA-N -1 3 346.391 2.781 20 5 EFBDHM C[C@@H]1CC[C@H]1Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001609162925 1098176151 /nfs/dbraw/zinc/17/61/51/1098176151.db2.gz NUAOAXJRMIJYIS-PRHODGIISA-N -1 3 325.332 2.534 20 5 EFBDHM C[C@@H]1CC[C@H]1Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001609162925 1098176156 /nfs/dbraw/zinc/17/61/56/1098176156.db2.gz NUAOAXJRMIJYIS-PRHODGIISA-N -1 3 325.332 2.534 20 5 EFBDHM CC[C@@H](C)n1nc(Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)cc1C ZINC001609187364 1098188367 /nfs/dbraw/zinc/18/83/67/1098188367.db2.gz BQCRHOAWLKSUSL-SECBINFHSA-N -1 3 342.363 2.994 20 5 EFBDHM CC[C@H](CC(F)(F)F)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001609188566 1098189598 /nfs/dbraw/zinc/18/95/98/1098189598.db2.gz UVQLELHMJYPTIE-MRVPVSSYSA-N -1 3 330.270 2.918 20 5 EFBDHM CC[C@H](CC(F)(F)F)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001609188566 1098189600 /nfs/dbraw/zinc/18/96/00/1098189600.db2.gz UVQLELHMJYPTIE-MRVPVSSYSA-N -1 3 330.270 2.918 20 5 EFBDHM CCCC1CCC(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001609207069 1098201994 /nfs/dbraw/zinc/20/19/94/1098201994.db2.gz SYOGOPTZEHOXPP-UHFFFAOYSA-N -1 3 331.380 2.941 20 5 EFBDHM CCCC1CCC(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001609207069 1098201998 /nfs/dbraw/zinc/20/19/98/1098201998.db2.gz SYOGOPTZEHOXPP-UHFFFAOYSA-N -1 3 331.380 2.941 20 5 EFBDHM CCN(Cc1cccs1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609225177 1098212798 /nfs/dbraw/zinc/21/27/98/1098212798.db2.gz AFXBVQSNLNWOLB-UHFFFAOYSA-N -1 3 330.373 2.863 20 5 EFBDHM CCN(Cc1cccs1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609225177 1098212801 /nfs/dbraw/zinc/21/28/01/1098212801.db2.gz AFXBVQSNLNWOLB-UHFFFAOYSA-N -1 3 330.373 2.863 20 5 EFBDHM CCOCCC1(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCC1 ZINC001609240030 1098217823 /nfs/dbraw/zinc/21/78/23/1098217823.db2.gz GXEAIZNXFJIDJQ-UHFFFAOYSA-N -1 3 346.391 2.784 20 5 EFBDHM CCOCCC1(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCC1 ZINC001609240030 1098217827 /nfs/dbraw/zinc/21/78/27/1098217827.db2.gz GXEAIZNXFJIDJQ-UHFFFAOYSA-N -1 3 346.391 2.784 20 5 EFBDHM CCS[C@@H]1CCCCN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001609248720 1098222408 /nfs/dbraw/zinc/22/24/08/1098222408.db2.gz QSQRQVGVWZBRMM-LLVKDONJSA-N -1 3 348.432 2.887 20 5 EFBDHM CCS[C@@H]1CCCCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001609248720 1098222412 /nfs/dbraw/zinc/22/24/12/1098222412.db2.gz QSQRQVGVWZBRMM-LLVKDONJSA-N -1 3 348.432 2.887 20 5 EFBDHM CN(CCc1ccccc1F)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001609276487 1098233478 /nfs/dbraw/zinc/23/34/78/1098233478.db2.gz PPMVIYWCKILFAR-UHFFFAOYSA-N -1 3 342.334 2.593 20 5 EFBDHM CN(CCc1ccccc1F)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001609276487 1098233481 /nfs/dbraw/zinc/23/34/81/1098233481.db2.gz PPMVIYWCKILFAR-UHFFFAOYSA-N -1 3 342.334 2.593 20 5 EFBDHM CN(Cc1ccc(F)c(F)c1)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609279218 1098236326 /nfs/dbraw/zinc/23/63/26/1098236326.db2.gz XAXLHLQEBBTNCA-UHFFFAOYSA-N -1 3 346.297 2.690 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1COc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001609348616 1098260640 /nfs/dbraw/zinc/26/06/40/1098260640.db2.gz BNLMSTDIQMKXNQ-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1COc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001609348616 1098260645 /nfs/dbraw/zinc/26/06/45/1098260645.db2.gz BNLMSTDIQMKXNQ-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC001609352666 1098261762 /nfs/dbraw/zinc/26/17/62/1098261762.db2.gz LLBSYMRGOCHMNL-SNVBAGLBSA-N -1 3 340.343 2.957 20 5 EFBDHM COc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC001609352666 1098261767 /nfs/dbraw/zinc/26/17/67/1098261767.db2.gz LLBSYMRGOCHMNL-SNVBAGLBSA-N -1 3 340.343 2.957 20 5 EFBDHM COc1ccc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1F ZINC001609355841 1098263802 /nfs/dbraw/zinc/26/38/02/1098263802.db2.gz QLKDXNCPFPSVHZ-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM COc1ccc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1F ZINC001609355841 1098263807 /nfs/dbraw/zinc/26/38/07/1098263807.db2.gz QLKDXNCPFPSVHZ-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM Cc1c(Oc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])cccc1[N+](=O)[O-] ZINC001609385460 1098278163 /nfs/dbraw/zinc/27/81/63/1098278163.db2.gz DKPKXOZHIBZSKW-UHFFFAOYSA-N -1 3 342.271 2.784 20 5 EFBDHM Cc1c(Oc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])cccc1[N+](=O)[O-] ZINC001609385460 1098278168 /nfs/dbraw/zinc/27/81/68/1098278168.db2.gz DKPKXOZHIBZSKW-UHFFFAOYSA-N -1 3 342.271 2.784 20 5 EFBDHM Cc1cc(F)ccc1CN(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609404283 1098294032 /nfs/dbraw/zinc/29/40/32/1098294032.db2.gz NVXDHKBIZLRFNA-UHFFFAOYSA-N -1 3 342.334 2.859 20 5 EFBDHM Cc1cc(F)ccc1CN(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609404283 1098294039 /nfs/dbraw/zinc/29/40/39/1098294039.db2.gz NVXDHKBIZLRFNA-UHFFFAOYSA-N -1 3 342.334 2.859 20 5 EFBDHM Cc1cc(OCCOc2ccc([N+](=O)[O-])cc2)ccc1-c1nn[n-]n1 ZINC001609411461 1098299156 /nfs/dbraw/zinc/29/91/56/1098299156.db2.gz JLRTXPBTKZEZMP-UHFFFAOYSA-N -1 3 341.327 2.541 20 5 EFBDHM Cc1nc(C)c(-c2nnn[n-]2)c(S/C=C/c2ccc([N+](=O)[O-])o2)n1 ZINC001609449178 1098328021 /nfs/dbraw/zinc/32/80/21/1098328021.db2.gz QHIAOYGLYZFLGF-AATRIKPKSA-N -1 3 345.344 2.538 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCc1ccc2ccccc2n1 ZINC001609600511 1098394559 /nfs/dbraw/zinc/39/45/59/1098394559.db2.gz NRFSFYBXUGTFQR-UHFFFAOYSA-N -1 3 347.338 2.935 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCc1ccc2ccccc2n1 ZINC001609600511 1098394563 /nfs/dbraw/zinc/39/45/63/1098394563.db2.gz NRFSFYBXUGTFQR-UHFFFAOYSA-N -1 3 347.338 2.935 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCc1cccc(F)c1 ZINC001609600360 1098394980 /nfs/dbraw/zinc/39/49/80/1098394980.db2.gz FRGUYVPKKAIMDY-UHFFFAOYSA-N -1 3 328.307 2.569 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCc1cccc(F)c1 ZINC001609600360 1098394986 /nfs/dbraw/zinc/39/49/86/1098394986.db2.gz FRGUYVPKKAIMDY-UHFFFAOYSA-N -1 3 328.307 2.569 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CCSC2(CCC2)CC1 ZINC001609602923 1098395502 /nfs/dbraw/zinc/39/55/02/1098395502.db2.gz PEQJCIJQTMQDNZ-UHFFFAOYSA-N -1 3 346.416 2.641 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CCSC2(CCC2)CC1 ZINC001609602923 1098395507 /nfs/dbraw/zinc/39/55/07/1098395507.db2.gz PEQJCIJQTMQDNZ-UHFFFAOYSA-N -1 3 346.416 2.641 20 5 EFBDHM O=[N+]([O-])c1cnc(N[C@H]2CCCc3sccc32)c(-c2nnn[n-]2)c1 ZINC001609603505 1098395886 /nfs/dbraw/zinc/39/58/86/1098395886.db2.gz JBJIFLPUWRSMJB-NSHDSACASA-N -1 3 343.372 2.721 20 5 EFBDHM O=[N+]([O-])c1cnc(N[C@H]2CCCc3sccc32)c(-c2nn[n-]n2)c1 ZINC001609603505 1098395893 /nfs/dbraw/zinc/39/58/93/1098395893.db2.gz JBJIFLPUWRSMJB-NSHDSACASA-N -1 3 343.372 2.721 20 5 EFBDHM O=[N+]([O-])c1cccc(F)c1OCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001609602887 1098396487 /nfs/dbraw/zinc/39/64/87/1098396487.db2.gz NBZLOEIBBKQHHN-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1cccc(F)c1OCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001609602887 1098396491 /nfs/dbraw/zinc/39/64/91/1098396491.db2.gz NBZLOEIBBKQHHN-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1ccc(NCCC[C@H]2CCCCO2)c(-c2nnn[n-]2)c1 ZINC001609602179 1098396519 /nfs/dbraw/zinc/39/65/19/1098396519.db2.gz PMZZLNJBEHMQMY-GFCCVEGCSA-N -1 3 332.364 2.536 20 5 EFBDHM O=[N+]([O-])c1ccc(NCCC[C@H]2CCCCO2)c(-c2nn[n-]n2)c1 ZINC001609602179 1098396523 /nfs/dbraw/zinc/39/65/23/1098396523.db2.gz PMZZLNJBEHMQMY-GFCCVEGCSA-N -1 3 332.364 2.536 20 5 EFBDHM C[C@@]1(C(=O)[O-])CCCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC001609811645 1098466063 /nfs/dbraw/zinc/46/60/63/1098466063.db2.gz RGSKUUHBOMLDHF-QGZVFWFLSA-N -1 3 344.371 2.603 20 5 EFBDHM Cc1cc(C2CCN(Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC2)[nH]n1 ZINC001610458050 1098690173 /nfs/dbraw/zinc/69/01/73/1098690173.db2.gz SACWWYGMDFSSTO-UHFFFAOYSA-N -1 3 344.371 2.704 20 5 EFBDHM O=C([O-])[C@@H](NC/C=C/c1ccccc1[N+](=O)[O-])c1cccc(O)c1 ZINC001610719421 1098845703 /nfs/dbraw/zinc/84/57/03/1098845703.db2.gz XQNCMPZIKFYADK-RRGWEWPQSA-N -1 3 328.324 2.729 20 5 EFBDHM O=C([O-])C[C@@H](NCc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC001610754531 1098868144 /nfs/dbraw/zinc/86/81/44/1098868144.db2.gz UQYHQPXFFWMBRT-GFCCVEGCSA-N -1 3 343.177 2.700 20 5 EFBDHM O=C(NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC1)C1CCCC1 ZINC001104359843 1102183490 /nfs/dbraw/zinc/18/34/90/1102183490.db2.gz AZNHDRGRTOFZGJ-UHFFFAOYSA-N -1 3 348.403 2.727 20 5 EFBDHM O=C(C=C1CCC1)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC1 ZINC001104388603 1102788678 /nfs/dbraw/zinc/78/86/78/1102788678.db2.gz HKPJAPOBQDLAMF-UHFFFAOYSA-N -1 3 346.387 2.647 20 5 EFBDHM CCN(CCNc1nccc(C)c1[N+](=O)[O-])C(=O)c1ccccc1[O-] ZINC001106695351 1111722824 /nfs/dbraw/zinc/72/28/24/1111722824.db2.gz WNELXRYCEFOQTP-UHFFFAOYSA-N -1 3 344.371 2.578 20 5 EFBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C(C)(C)C(C)C ZINC001106850809 1111911119 /nfs/dbraw/zinc/91/11/19/1111911119.db2.gz QNCHEHKZSJDMKI-UHFFFAOYSA-N -1 3 338.408 2.638 20 5 EFBDHM CCCC1(C(=O)N(CC)CCNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001106937616 1118627720 /nfs/dbraw/zinc/62/77/20/1118627720.db2.gz DEHBEWQTSGLQFP-UHFFFAOYSA-N -1 3 336.392 2.536 20 5 EFBDHM Cc1nscc1C(=O)[N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000183006500 282444821 /nfs/dbraw/zinc/44/48/21/282444821.db2.gz WGCXHQPCJSZBSI-UHFFFAOYSA-N -1 3 335.341 2.773 20 5 EFBDHM COc1cc(CNc2nnc(CC(C)(C)C)o2)c([N+](=O)[O-])cc1[O-] ZINC000181775586 234319649 /nfs/dbraw/zinc/31/96/49/234319649.db2.gz OBJCRZJWSLYCPJ-UHFFFAOYSA-N -1 3 336.348 2.893 20 5 EFBDHM CO[C@@H](C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(C)(C)C ZINC000190036820 238184374 /nfs/dbraw/zinc/18/43/74/238184374.db2.gz NXPKLDJWGUSNAY-LBPRGKRZSA-N -1 3 344.433 2.551 20 5 EFBDHM O=C([N-]c1nc[nH]n1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000052555461 201127613 /nfs/dbraw/zinc/12/76/13/201127613.db2.gz BURVCODYYFYWOJ-UHFFFAOYSA-N -1 3 325.284 2.758 20 5 EFBDHM Cc1cc(S(=O)(=O)[N-]Cc2ccccc2[N+](=O)[O-])c(F)cc1F ZINC000175786340 239285213 /nfs/dbraw/zinc/28/52/13/239285213.db2.gz MMBUSCKFHKLHHH-UHFFFAOYSA-N -1 3 342.323 2.660 20 5 EFBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1cn(-c2ccccc2)nn1 ZINC000339186973 284317090 /nfs/dbraw/zinc/31/70/90/284317090.db2.gz AYFUTRDIZARUBO-UHFFFAOYSA-N -1 3 327.275 2.567 20 5 EFBDHM CSc1nnc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[n-]1 ZINC000264236126 246223305 /nfs/dbraw/zinc/22/33/05/246223305.db2.gz XJIUCFMKLKLDMN-UHFFFAOYSA-N -1 3 335.389 2.985 20 5 EFBDHM CSc1n[n-]c(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1 ZINC000264236126 246223310 /nfs/dbraw/zinc/22/33/10/246223310.db2.gz XJIUCFMKLKLDMN-UHFFFAOYSA-N -1 3 335.389 2.985 20 5 EFBDHM CSc1nc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n[n-]1 ZINC000264236126 246223314 /nfs/dbraw/zinc/22/33/14/246223314.db2.gz XJIUCFMKLKLDMN-UHFFFAOYSA-N -1 3 335.389 2.985 20 5 EFBDHM Cc1cc(S(=O)(=O)[N-]CCCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000266417723 248290593 /nfs/dbraw/zinc/29/05/93/248290593.db2.gz DWNDGWRLRWVVOB-UHFFFAOYSA-N -1 3 326.296 2.524 20 5 EFBDHM Cc1cc(N2CCN(C(=O)c3cccc([O-])c3)CC2)ccc1[N+](=O)[O-] ZINC000266451649 248307431 /nfs/dbraw/zinc/30/74/31/248307431.db2.gz XKEHAGMGSUXOMG-UHFFFAOYSA-N -1 3 341.367 2.571 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCCC(F)(F)F ZINC000266478611 248322244 /nfs/dbraw/zinc/32/22/44/248322244.db2.gz UOZMRKPSANDZCB-UHFFFAOYSA-N -1 3 326.296 2.524 20 5 EFBDHM Cc1nsc([N-]C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)n1 ZINC000266528144 248346361 /nfs/dbraw/zinc/34/63/61/248346361.db2.gz GNJONFRMLOTTJP-UHFFFAOYSA-N -1 3 337.317 2.532 20 5 EFBDHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)s1 ZINC000175628908 207144216 /nfs/dbraw/zinc/14/42/16/207144216.db2.gz GQIDXZOVXPDTCD-JTQLQIEISA-N -1 3 341.414 2.708 20 5 EFBDHM CCc1nc([N-]C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])n[nH]1 ZINC000450131608 251271222 /nfs/dbraw/zinc/27/12/22/251271222.db2.gz CQGNSKPOCDGQDH-UHFFFAOYSA-N -1 3 329.238 2.546 20 5 EFBDHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000176839233 207267202 /nfs/dbraw/zinc/26/72/02/207267202.db2.gz DONRCMMKUYTWJV-QMMMGPOBSA-N -1 3 341.414 2.708 20 5 EFBDHM CCN1C(=O)c2ccccc2N[C@H]1c1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000030543162 285177738 /nfs/dbraw/zinc/17/77/38/285177738.db2.gz LJDDLSRFPBHGOP-MRXNPFEDSA-N -1 3 343.339 2.895 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-]Cc2cc(F)cc(F)c2)cc1[N+](=O)[O-] ZINC000343518624 142011165 /nfs/dbraw/zinc/01/11/65/142011165.db2.gz ZJFWIOYBXODMPJ-UHFFFAOYSA-N -1 3 348.352 2.721 20 5 EFBDHM CCCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nc(C)n(C)n1 ZINC000344531788 142035531 /nfs/dbraw/zinc/03/55/31/142035531.db2.gz MPJBIYGYEFFHSN-UHFFFAOYSA-N -1 3 335.389 2.786 20 5 EFBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)C12CCC(CC1)C2 ZINC000345945578 142122286 /nfs/dbraw/zinc/12/22/86/142122286.db2.gz ZQSZQZPMYCKDMV-UHFFFAOYSA-N -1 3 326.356 2.926 20 5 EFBDHM CCN(CCN1CCCCCC1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000346341652 142192292 /nfs/dbraw/zinc/19/22/92/142192292.db2.gz RDLVWCZGBJBOCJ-UHFFFAOYSA-N -1 3 335.404 2.639 20 5 EFBDHM Nc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nnc(-c2ccco2)s1 ZINC000354431990 146711405 /nfs/dbraw/zinc/71/14/05/146711405.db2.gz YCDXGJUELQREDI-UHFFFAOYSA-N -1 3 331.313 2.541 20 5 EFBDHM COC(=O)c1cnc(SCc2c(F)cc([N+](=O)[O-])cc2F)[n-]1 ZINC000349820573 142364098 /nfs/dbraw/zinc/36/40/98/142364098.db2.gz WNIUFVQAVANRPO-UHFFFAOYSA-N -1 3 329.284 2.675 20 5 EFBDHM O=C(Nc1nc(CC(F)(F)F)cs1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000341305948 145030273 /nfs/dbraw/zinc/03/02/73/145030273.db2.gz RCIDVWVLUDNGJM-UHFFFAOYSA-N -1 3 348.262 2.509 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H]2CCCCS2)cc1[N+](=O)[O-] ZINC000342502272 145139404 /nfs/dbraw/zinc/13/94/04/145139404.db2.gz FQUZMNVBKDNTCV-VIFPVBQESA-N -1 3 336.460 2.529 20 5 EFBDHM CCCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)CCC1 ZINC000343850877 145308931 /nfs/dbraw/zinc/30/89/31/145308931.db2.gz ARJJZHPNCHHMIT-UHFFFAOYSA-N -1 3 342.417 2.852 20 5 EFBDHM COc1cc(CN[C@H](C)CC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1[O-] ZINC000344217645 145394699 /nfs/dbraw/zinc/39/46/99/145394699.db2.gz JXGINTNEXWROLA-SNVBAGLBSA-N -1 3 340.376 2.519 20 5 EFBDHM CC(C)N(C)c1ccccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000351455787 146125027 /nfs/dbraw/zinc/12/50/27/146125027.db2.gz VCQDZRJVGZBYKE-UHFFFAOYSA-N -1 3 330.344 2.792 20 5 EFBDHM O=C(Nc1nc(-c2ccccc2)co1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000351599830 146155643 /nfs/dbraw/zinc/15/56/43/146155643.db2.gz KEYNEDZDRXFGQZ-UHFFFAOYSA-N -1 3 326.268 2.603 20 5 EFBDHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000352177511 146309186 /nfs/dbraw/zinc/30/91/86/146309186.db2.gz CFEPTODTBHZXKD-UHFFFAOYSA-N -1 3 338.320 2.512 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1C[C@H]1Cc1ccccc1 ZINC000352934579 146352079 /nfs/dbraw/zinc/35/20/79/146352079.db2.gz HOFIYSRMTJPYEE-ZIAGYGMSSA-N -1 3 332.381 2.504 20 5 EFBDHM CCCCN1CCCC[C@H]1CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356512871 147264263 /nfs/dbraw/zinc/26/42/63/147264263.db2.gz MQQFARCQMMRXFM-AWEZNQCLSA-N -1 3 335.404 2.685 20 5 EFBDHM Cc1ccc(CN(C)C)cc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356933274 147376499 /nfs/dbraw/zinc/37/64/99/147376499.db2.gz MSQBPJNQVJWYDP-UHFFFAOYSA-N -1 3 329.356 2.923 20 5 EFBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)[C@@H]1CCC(F)(F)C1 ZINC000359368415 148068503 /nfs/dbraw/zinc/06/85/03/148068503.db2.gz FZFGYBDGURHQKD-SNVBAGLBSA-N -1 3 336.298 2.781 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(C(F)F)CC2)c(Cl)c1 ZINC000359791748 148189894 /nfs/dbraw/zinc/18/98/94/148189894.db2.gz NVUNRSHXOBTIDG-UHFFFAOYSA-N -1 3 340.735 2.572 20 5 EFBDHM COc1ccc(NC(=O)c2cc(-c3ccco3)[n-]n2)cc1[N+](=O)[O-] ZINC000359972049 148239621 /nfs/dbraw/zinc/23/96/21/148239621.db2.gz WKRFRFUKDMGBKP-UHFFFAOYSA-N -1 3 328.284 2.839 20 5 EFBDHM COc1ccc(NC(=O)c2cc(-c3ccco3)n[n-]2)cc1[N+](=O)[O-] ZINC000359972049 148239622 /nfs/dbraw/zinc/23/96/22/148239622.db2.gz WKRFRFUKDMGBKP-UHFFFAOYSA-N -1 3 328.284 2.839 20 5 EFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H](C)C(F)(F)F)c1[N+](=O)[O-] ZINC000360024798 148252327 /nfs/dbraw/zinc/25/23/27/148252327.db2.gz QFHADBSANRLJBV-VIFPVBQESA-N -1 3 340.323 2.688 20 5 EFBDHM CCS[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000360467089 148369084 /nfs/dbraw/zinc/36/90/84/148369084.db2.gz CRPZCXZMEJYGAB-AAEUAGOBSA-N -1 3 344.458 2.856 20 5 EFBDHM NC(=O)c1ccc(F)c([N-]C(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000047329757 272981031 /nfs/dbraw/zinc/98/10/31/272981031.db2.gz APHSSIJJEZMCMM-UHFFFAOYSA-N -1 3 337.694 2.739 20 5 EFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000186189435 265058509 /nfs/dbraw/zinc/05/85/09/265058509.db2.gz CJJOPFGLEIZRSR-SKDRFNHKSA-N -1 3 346.380 2.600 20 5 EFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000186189455 265058759 /nfs/dbraw/zinc/05/87/59/265058759.db2.gz CJJOPFGLEIZRSR-CABZTGNLSA-N -1 3 346.380 2.600 20 5 EFBDHM CCc1ccc(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c([O-])c1 ZINC000188463955 265136601 /nfs/dbraw/zinc/13/66/01/265136601.db2.gz MUFOVDIYJZILGN-UHFFFAOYSA-N -1 3 342.351 2.766 20 5 EFBDHM COc1cc(C(=O)[N-]OC2CCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000271653059 266033953 /nfs/dbraw/zinc/03/39/53/266033953.db2.gz FJZMWQWTMIDONL-UHFFFAOYSA-N -1 3 346.286 2.809 20 5 EFBDHM Cc1nn(C)cc1[C@@H](C)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272250441 266204405 /nfs/dbraw/zinc/20/44/05/266204405.db2.gz SLKOUPKJQJQMLO-SECBINFHSA-N -1 3 338.314 2.606 20 5 EFBDHM O=C([N-][C@H]1CCCc2c[nH]nc21)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272343952 266235882 /nfs/dbraw/zinc/23/58/82/266235882.db2.gz NLYNSCLRITVMMT-LBPRGKRZSA-N -1 3 336.298 2.604 20 5 EFBDHM Cc1cc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)ccc1[O-] ZINC000272564704 266309928 /nfs/dbraw/zinc/30/99/28/266309928.db2.gz KDUKXVLRBMMBKJ-UHFFFAOYSA-N -1 3 341.367 2.571 20 5 EFBDHM O=C(Nc1ccc(N2CCCCC2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000274894939 266726051 /nfs/dbraw/zinc/72/60/51/266726051.db2.gz NFBQJVJUTONJOC-UHFFFAOYSA-N -1 3 342.355 2.938 20 5 EFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCCC(F)(F)F)c1[N+](=O)[O-] ZINC000276836907 267059355 /nfs/dbraw/zinc/05/93/55/267059355.db2.gz PJOSUXJHSGLWFY-UHFFFAOYSA-N -1 3 340.323 2.832 20 5 EFBDHM O=C(Nc1ccc(OC2CCCC2)nc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000277690520 267236167 /nfs/dbraw/zinc/23/61/67/267236167.db2.gz JRBVKEPCNRUWFJ-UHFFFAOYSA-N -1 3 344.327 2.664 20 5 EFBDHM CCCCOc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cn1 ZINC000278004085 267318893 /nfs/dbraw/zinc/31/88/93/267318893.db2.gz HSYOCAGNTZIUAI-UHFFFAOYSA-N -1 3 332.316 2.522 20 5 EFBDHM Cc1ccc([C@H](C)NCC(=O)[N-]OCc2ccccc2)cc1[N+](=O)[O-] ZINC000181844417 273045472 /nfs/dbraw/zinc/04/54/72/273045472.db2.gz WRHIVPVMHVNADV-AWEZNQCLSA-N -1 3 343.383 2.802 20 5 EFBDHM CCN(c1ccc([O-])cc1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000193347168 273062850 /nfs/dbraw/zinc/06/28/50/273062850.db2.gz HJBKJRALOXNPQF-UHFFFAOYSA-N -1 3 340.332 2.655 20 5 EFBDHM CC(C)[C@H](CNCc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)[O-] ZINC000277504455 273158734 /nfs/dbraw/zinc/15/87/34/273158734.db2.gz XUEOIAJCJMYZGB-NSHDSACASA-N -1 3 332.303 2.643 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@H]1CCCC(F)(F)C1 ZINC000282307115 273543815 /nfs/dbraw/zinc/54/38/15/273543815.db2.gz MNEQPNZGCSHOGO-JTQLQIEISA-N -1 3 334.344 2.699 20 5 EFBDHM COC(=O)c1sc([N-]C(=O)c2ccc([N+](=O)[O-])cc2F)nc1C ZINC000055039224 292652622 /nfs/dbraw/zinc/65/26/22/292652622.db2.gz VMJDJJPAEVJGIC-UHFFFAOYSA-N -1 3 339.304 2.538 20 5 EFBDHM COc1cc(CNc2ccc(OCCCO)cc2)c([N+](=O)[O-])cc1[O-] ZINC000285522600 274017344 /nfs/dbraw/zinc/01/73/44/274017344.db2.gz PCVFJYFPGVGYEX-UHFFFAOYSA-N -1 3 348.355 2.682 20 5 EFBDHM Cc1cccc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1[O-] ZINC000078239705 281190630 /nfs/dbraw/zinc/19/06/30/281190630.db2.gz BFTGNXYOMLGHIF-UHFFFAOYSA-N -1 3 341.367 2.571 20 5 EFBDHM Cc1conc1[N-]C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000123456786 292981004 /nfs/dbraw/zinc/98/10/04/292981004.db2.gz ZSCOODZWTMFGPW-UHFFFAOYSA-N -1 3 326.106 2.906 20 5 EFBDHM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1ccc(F)cc1F ZINC000133398173 293256009 /nfs/dbraw/zinc/25/60/09/293256009.db2.gz ZPVRTLSHBVASDK-UHFFFAOYSA-N -1 3 342.323 2.857 20 5 EFBDHM O=C(Nc1ccc(-c2ncco2)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000153852839 293396957 /nfs/dbraw/zinc/39/69/57/293396957.db2.gz MAJQBNZCAZHAPM-UHFFFAOYSA-N -1 3 326.268 2.603 20 5 EFBDHM O=C(Nc1cccc(-c2ncco2)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000154170460 293412906 /nfs/dbraw/zinc/41/29/06/293412906.db2.gz NODXIGZAOPAJKD-UHFFFAOYSA-N -1 3 326.268 2.603 20 5 EFBDHM O=C(c1ccc(O)cc1[O-])N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000154663443 293435398 /nfs/dbraw/zinc/43/53/98/293435398.db2.gz URBBJEMUHMZRGI-UHFFFAOYSA-N -1 3 328.324 2.811 20 5 EFBDHM COc1cc(C(=O)[N-]c2nnc(C(F)F)s2)ccc1[N+](=O)[O-] ZINC000154828711 293443082 /nfs/dbraw/zinc/44/30/82/293443082.db2.gz KZMQJUUIFALFDV-UHFFFAOYSA-N -1 3 330.272 2.645 20 5 EFBDHM COc1ccc(C(=O)[N-]c2nc3ccc(Cl)cn3n2)cc1[N+](=O)[O-] ZINC000157135169 293533740 /nfs/dbraw/zinc/53/37/40/293533740.db2.gz XKTHKABRKYDXES-UHFFFAOYSA-N -1 3 347.718 2.552 20 5 EFBDHM Cc1cc(C(=O)[N-]c2nnc(C3CCOCC3)s2)cc([N+](=O)[O-])c1 ZINC000294363856 295154421 /nfs/dbraw/zinc/15/44/21/295154421.db2.gz RGPYJGAZXAPQAM-UHFFFAOYSA-N -1 3 348.384 2.901 20 5 EFBDHM Cc1cccc(C(=O)[N-]c2nnc(C3CCOCC3)s2)c1[N+](=O)[O-] ZINC000294407001 295162205 /nfs/dbraw/zinc/16/22/05/295162205.db2.gz UBBOHYKJTXJFNK-UHFFFAOYSA-N -1 3 348.384 2.901 20 5 EFBDHM O=C([N-]c1nnc(C2CCOCC2)s1)c1ccccc1[N+](=O)[O-] ZINC000294409693 295162364 /nfs/dbraw/zinc/16/23/64/295162364.db2.gz UFBAUBNMYUIUKZ-UHFFFAOYSA-N -1 3 334.357 2.593 20 5 EFBDHM COc1ccc2c(c1)N(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CCCC2 ZINC000425116742 295264688 /nfs/dbraw/zinc/26/46/88/295264688.db2.gz WBZQUNXNUHGRQB-UHFFFAOYSA-N -1 3 343.339 2.687 20 5 EFBDHM CCC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000295254676 295288196 /nfs/dbraw/zinc/28/81/96/295288196.db2.gz KUYULZKTTOMEEL-UHFFFAOYSA-N -1 3 338.307 2.835 20 5 EFBDHM O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)[N-]OCCC(F)(F)F ZINC000295784621 295375856 /nfs/dbraw/zinc/37/58/56/295375856.db2.gz QZAZXAYGBYGLRZ-UHFFFAOYSA-N -1 3 334.250 2.558 20 5 EFBDHM CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2ccc([O-])c(F)c2)s1 ZINC000302183231 311183071 /nfs/dbraw/zinc/18/30/71/311183071.db2.gz OMIZGYUTMHPZJP-UHFFFAOYSA-N -1 3 346.361 2.517 20 5 EFBDHM COCc1ccc([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000302801995 311201863 /nfs/dbraw/zinc/20/18/63/311201863.db2.gz CQJQVOZAIBHADE-UHFFFAOYSA-N -1 3 342.398 2.950 20 5 EFBDHM Cc1ncc(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)c(=O)[n-]1 ZINC000417340030 312211219 /nfs/dbraw/zinc/21/12/19/312211219.db2.gz JHODIPMQFLVUQF-MRXNPFEDSA-N -1 3 328.372 2.956 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H]1CCCC1(F)F ZINC000451823826 312825239 /nfs/dbraw/zinc/82/52/39/312825239.db2.gz OAAOPGNOPXCLEU-JTQLQIEISA-N -1 3 334.344 2.617 20 5 EFBDHM CCC(CC)(CC)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000462491408 313114983 /nfs/dbraw/zinc/11/49/83/313114983.db2.gz OMGGYTAZZNTCGZ-UHFFFAOYSA-N -1 3 330.406 2.851 20 5 EFBDHM Cc1ccc(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cc1 ZINC000480947055 313285826 /nfs/dbraw/zinc/28/58/26/313285826.db2.gz BMHXEVMODPMRHG-UHFFFAOYSA-N -1 3 334.397 2.999 20 5 EFBDHM CC(C)([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000490454588 313650928 /nfs/dbraw/zinc/65/09/28/313650928.db2.gz QZUMLSVPFUFWRL-UHFFFAOYSA-N -1 3 338.360 2.948 20 5 EFBDHM O=C(/C=C\c1cncc([O-])c1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000492521697 314023123 /nfs/dbraw/zinc/02/31/23/314023123.db2.gz QUVLOZIPPHVMGV-RJRFIUFISA-N -1 3 347.758 2.721 20 5 EFBDHM CCc1ccc([O-])c(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000523319074 316116232 /nfs/dbraw/zinc/11/62/32/316116232.db2.gz MPDLXYGAXDICNW-UHFFFAOYSA-N -1 3 330.340 2.801 20 5 EFBDHM COCc1cccc2sc([N-]C(=O)c3ccc([N+](=O)[O-])cn3)nc21 ZINC000532138163 317360550 /nfs/dbraw/zinc/36/05/50/317360550.db2.gz WDTQHZBZQUQQQK-UHFFFAOYSA-N -1 3 344.352 2.998 20 5 EFBDHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)CO2 ZINC000532421878 317399397 /nfs/dbraw/zinc/39/93/97/317399397.db2.gz WHKUXHDYDYNIHD-AWEZNQCLSA-N -1 3 348.380 2.624 20 5 EFBDHM CCc1cccc(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)c1[O-] ZINC000545078387 317903257 /nfs/dbraw/zinc/90/32/57/317903257.db2.gz LHQVBNIFYXKDMZ-UHFFFAOYSA-N -1 3 326.312 2.899 20 5 EFBDHM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N=c1cc2ccccn2[n-]1 ZINC000552989712 318267502 /nfs/dbraw/zinc/26/75/02/318267502.db2.gz HHAMVOGBYSQTLZ-CQSZACIVSA-N -1 3 338.367 2.872 20 5 EFBDHM Cc1ccc(CC[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])o1 ZINC000555403351 318355842 /nfs/dbraw/zinc/35/58/42/318355842.db2.gz QQLUXHDXCVUXCN-UHFFFAOYSA-N -1 3 338.385 2.634 20 5 EFBDHM CC(C)(CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1)CC(=O)[O-] ZINC000566359422 319066598 /nfs/dbraw/zinc/06/65/98/319066598.db2.gz VYDQCVJYOKFAMU-UHFFFAOYSA-N -1 3 335.404 2.608 20 5 EFBDHM O=C(Cc1cncc([O-])c1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000566472649 319081658 /nfs/dbraw/zinc/08/16/58/319081658.db2.gz QSIVRMJHHFYNCQ-OAHLLOKOSA-N -1 3 341.367 2.644 20 5 EFBDHM C[C@H]1[C@@H](C(=O)[O-])CCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000568072422 319243967 /nfs/dbraw/zinc/24/39/67/319243967.db2.gz AQQNYSSCKAEKAK-HZMBPMFUSA-N -1 3 331.328 2.545 20 5 EFBDHM Cc1ccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000574077829 319828063 /nfs/dbraw/zinc/82/80/63/319828063.db2.gz BGMARZVWHVTTJM-UONOGXRCSA-N -1 3 332.381 2.738 20 5 EFBDHM C[C@@H](C(=O)Nc1nnc(-c2ccco2)[n-]1)c1ccc([N+](=O)[O-])cc1F ZINC000185800476 323398293 /nfs/dbraw/zinc/39/82/93/323398293.db2.gz BGUYBKGRJSIAFD-MRVPVSSYSA-N -1 3 345.290 2.854 20 5 EFBDHM C[C@@H](C(=O)Nc1nc(-c2ccco2)n[n-]1)c1ccc([N+](=O)[O-])cc1F ZINC000185800476 323398297 /nfs/dbraw/zinc/39/82/97/323398297.db2.gz BGUYBKGRJSIAFD-MRVPVSSYSA-N -1 3 345.290 2.854 20 5 EFBDHM C[C@@H](C(=O)Nc1n[n-]c(-c2ccco2)n1)c1ccc([N+](=O)[O-])cc1F ZINC000185800476 323398302 /nfs/dbraw/zinc/39/83/02/323398302.db2.gz BGUYBKGRJSIAFD-MRVPVSSYSA-N -1 3 345.290 2.854 20 5 EFBDHM CCN(CC)[C@@H](CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])c1ccco1 ZINC000579963969 324069764 /nfs/dbraw/zinc/06/97/64/324069764.db2.gz LRMBELOJUXGEQC-ZDUSSCGKSA-N -1 3 348.359 2.776 20 5 EFBDHM CC(C)CN1CCCC[C@H]1CNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000581194234 324325899 /nfs/dbraw/zinc/32/58/99/324325899.db2.gz XSQMETQNYSTHER-LBPRGKRZSA-N -1 3 336.392 2.610 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-]C(C)(C)c2nccs2)cc1[N+](=O)[O-] ZINC000124082037 473210802 /nfs/dbraw/zinc/21/08/02/473210802.db2.gz GFPFAXQHSAPSBM-UHFFFAOYSA-N -1 3 347.443 2.635 20 5 EFBDHM C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)N(C)Cc1ccccc1 ZINC000111631023 473220138 /nfs/dbraw/zinc/22/01/38/473220138.db2.gz XQVHWEWQNMASSB-CYBMUJFWSA-N -1 3 343.383 2.551 20 5 EFBDHM O=C(Nc1ncccc1[O-])c1cc(Br)cc([N+](=O)[O-])c1 ZINC000124925882 473327200 /nfs/dbraw/zinc/32/72/00/473327200.db2.gz QMXNTJYLEFHQLN-UHFFFAOYSA-N -1 3 338.117 2.710 20 5 EFBDHM Cc1cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cn2ccnc12 ZINC000355413706 475916441 /nfs/dbraw/zinc/91/64/41/475916441.db2.gz CBWRSWBFJWRQAV-UHFFFAOYSA-N -1 3 336.311 2.680 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2F)cc1[N+](=O)[O-] ZINC000007428146 471612740 /nfs/dbraw/zinc/61/27/40/471612740.db2.gz KJXZTTILYUMENT-UHFFFAOYSA-N -1 3 340.332 2.852 20 5 EFBDHM CCCn1c2ccccc2nc1NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000010652863 471740345 /nfs/dbraw/zinc/74/03/45/471740345.db2.gz UCPJLRNUECWWQU-UHFFFAOYSA-N -1 3 341.327 2.707 20 5 EFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCc2ccccc21 ZINC000053701040 472030409 /nfs/dbraw/zinc/03/04/09/472030409.db2.gz ZODLZOQPCQXFDZ-CQSZACIVSA-N -1 3 348.380 2.569 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-]C2CCCCCC2)c([N+](=O)[O-])c1 ZINC000023391126 472032238 /nfs/dbraw/zinc/03/22/38/472032238.db2.gz CDBQNDSVCKMSEN-UHFFFAOYSA-N -1 3 328.390 2.605 20 5 EFBDHM CCOC(=O)c1csc([N-]C(=O)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000054881457 472122952 /nfs/dbraw/zinc/12/29/52/472122952.db2.gz DLADQEWGZKJWSS-UHFFFAOYSA-N -1 3 339.304 2.619 20 5 EFBDHM NC(=O)CSc1ccccc1[N-]C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000055040822 472133271 /nfs/dbraw/zinc/13/32/71/472133271.db2.gz KAJMOLALFJUWAU-UHFFFAOYSA-N -1 3 349.343 2.564 20 5 EFBDHM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ncccc1[O-] ZINC000068350383 472174535 /nfs/dbraw/zinc/17/45/35/472174535.db2.gz CIQJFGQYSMNKJC-MRVPVSSYSA-N -1 3 337.719 2.755 20 5 EFBDHM Cc1ccccc1CC[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000055973663 472266760 /nfs/dbraw/zinc/26/67/60/472266760.db2.gz VKRVMAAGDBVDAX-UHFFFAOYSA-N -1 3 334.397 2.733 20 5 EFBDHM COc1cc(OCC(=O)Nc2ccc(C)cc2[O-])ccc1[N+](=O)[O-] ZINC000069126074 472295702 /nfs/dbraw/zinc/29/57/02/472295702.db2.gz JVUCLNPQLHDYFL-UHFFFAOYSA-N -1 3 332.312 2.635 20 5 EFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccccc1F ZINC000029938169 472306390 /nfs/dbraw/zinc/30/63/90/472306390.db2.gz KZHQQKJBQRRBHS-UHFFFAOYSA-N -1 3 344.751 2.866 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C1CC1 ZINC000076851754 472416354 /nfs/dbraw/zinc/41/63/54/472416354.db2.gz NCHBSDNRXYOZOB-HNNXBMFYSA-N -1 3 346.408 2.894 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCCC1CCCC1 ZINC000032416567 472431305 /nfs/dbraw/zinc/43/13/05/472431305.db2.gz BETJTFXTOMIIOV-UHFFFAOYSA-N -1 3 342.417 2.852 20 5 EFBDHM C[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119735535 472578976 /nfs/dbraw/zinc/57/89/76/472578976.db2.gz AIKOTLBVYOJDSR-CYBMUJFWSA-N -1 3 343.383 2.551 20 5 EFBDHM O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCCc2cccc([O-])c21 ZINC000155667016 472591519 /nfs/dbraw/zinc/59/15/19/472591519.db2.gz NBXJRGQVLFWDSZ-UHFFFAOYSA-N -1 3 338.323 2.770 20 5 EFBDHM O=C([N-]c1nnc(-c2ccccn2)s1)c1cccc([N+](=O)[O-])c1 ZINC000046759378 472595858 /nfs/dbraw/zinc/59/58/58/472595858.db2.gz PWYDBPYYUWCQTA-UHFFFAOYSA-N -1 3 327.325 2.761 20 5 EFBDHM Cc1cc(F)ccc1CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000155824795 472622968 /nfs/dbraw/zinc/62/29/68/472622968.db2.gz SOQGDDLLXOPOJM-UHFFFAOYSA-N -1 3 338.360 2.563 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCc2ccccc2)cc1C ZINC000060495976 472661270 /nfs/dbraw/zinc/66/12/70/472661270.db2.gz LNARIQWMVIGMLF-UHFFFAOYSA-N -1 3 334.397 2.733 20 5 EFBDHM O=C(CCOc1ccccc1[N+](=O)[O-])NCc1ccc([O-])c(F)c1 ZINC000156223942 472679773 /nfs/dbraw/zinc/67/97/73/472679773.db2.gz PSVQNCNPIOODBQ-UHFFFAOYSA-N -1 3 334.303 2.525 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]Cc2cc(F)ccc2F)c([N+](=O)[O-])c1 ZINC000104752746 472689984 /nfs/dbraw/zinc/68/99/84/472689984.db2.gz LTRCHDJKZXNRQB-UHFFFAOYSA-N -1 3 342.323 2.660 20 5 EFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccn1 ZINC000047543130 472729038 /nfs/dbraw/zinc/72/90/38/472729038.db2.gz FYRASWUVHCBUMW-VIFPVBQESA-N -1 3 341.776 2.683 20 5 EFBDHM C[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000157009108 472774854 /nfs/dbraw/zinc/77/48/54/472774854.db2.gz AIBFISKHSWDEPC-SNVBAGLBSA-N -1 3 333.319 3.000 20 5 EFBDHM Cc1cccc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1O ZINC000133519358 472813053 /nfs/dbraw/zinc/81/30/53/472813053.db2.gz AHSMCSHDBHNACS-UHFFFAOYSA-N -1 3 336.369 2.593 20 5 EFBDHM COC(=O)c1cccc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)[n-]c21 ZINC000157799507 472859624 /nfs/dbraw/zinc/85/96/24/472859624.db2.gz MCPUXMCRVAPOFN-UHFFFAOYSA-N -1 3 340.295 2.510 20 5 EFBDHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc([N+](=O)[O-])cc3)nc21 ZINC000157799507 472859633 /nfs/dbraw/zinc/85/96/33/472859633.db2.gz MCPUXMCRVAPOFN-UHFFFAOYSA-N -1 3 340.295 2.510 20 5 EFBDHM COC(=O)c1cc([N-]C(=O)c2cc(C(C)C)on2)cc([N+](=O)[O-])c1 ZINC000158081092 472890129 /nfs/dbraw/zinc/89/01/29/472890129.db2.gz KAGBCEFSPGIZGJ-UHFFFAOYSA-N -1 3 333.300 2.745 20 5 EFBDHM COc1cc(CNc2cccc([S@@](C)=O)c2)c([N+](=O)[O-])cc1[O-] ZINC000121880364 472934891 /nfs/dbraw/zinc/93/48/91/472934891.db2.gz XNWAWATXKMNEHU-QHCPKHFHSA-N -1 3 336.369 2.659 20 5 EFBDHM COCc1cccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC000074518802 473022929 /nfs/dbraw/zinc/02/29/29/473022929.db2.gz OLRRPEBGCGPFLY-UHFFFAOYSA-N -1 3 326.312 2.870 20 5 EFBDHM O=C(c1ccc2n[n-]nc2c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000135187760 473034141 /nfs/dbraw/zinc/03/41/41/473034141.db2.gz LJBGXQIHIYCFTL-UHFFFAOYSA-N -1 3 337.339 2.671 20 5 EFBDHM O=C([N-]c1c(F)cccc1F)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000066267872 473065947 /nfs/dbraw/zinc/06/59/47/473065947.db2.gz JMWMLUVZUICCGS-UHFFFAOYSA-N -1 3 336.250 2.897 20 5 EFBDHM O=C([N-]c1cc(F)ccc1F)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000066267687 473066372 /nfs/dbraw/zinc/06/63/72/473066372.db2.gz VQEROCAYOQQVQL-UHFFFAOYSA-N -1 3 336.250 2.897 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000122921580 473073896 /nfs/dbraw/zinc/07/38/96/473073896.db2.gz SFYVWQQBKZKIDZ-LBPRGKRZSA-N -1 3 338.410 2.931 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-]Cc2ccc(C)c(F)c2)cc1[N+](=O)[O-] ZINC000122919314 473073963 /nfs/dbraw/zinc/07/39/63/473073963.db2.gz QFRAWHVVNIPZRA-UHFFFAOYSA-N -1 3 344.389 2.891 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-]Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000123093067 473096837 /nfs/dbraw/zinc/09/68/37/473096837.db2.gz KCDQOHAPSPVYIE-UHFFFAOYSA-N -1 3 330.362 2.582 20 5 EFBDHM NC(=O)c1ccc(Cl)c([N-]C(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000110928544 473182540 /nfs/dbraw/zinc/18/25/40/473182540.db2.gz HFHDPBQZONDOCQ-UHFFFAOYSA-N -1 3 325.733 2.661 20 5 EFBDHM COc1cc(C)cc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])c1[O-] ZINC000094160046 473183869 /nfs/dbraw/zinc/18/38/69/473183869.db2.gz XZPXJAJTLBVKPE-UHFFFAOYSA-N -1 3 328.324 2.820 20 5 EFBDHM Cc1noc(C)c1[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000123999880 473204035 /nfs/dbraw/zinc/20/40/35/473204035.db2.gz ATSMPJYDGTYNSB-ZETCQYMHSA-N -1 3 345.402 2.609 20 5 EFBDHM Cc1ccc([C@@H](C)NC(=O)c2ccc3n[n-]nc3c2)cc1[N+](=O)[O-] ZINC000177849014 473443252 /nfs/dbraw/zinc/44/32/52/473443252.db2.gz OXLVBKZPVWUWFD-SNVBAGLBSA-N -1 3 325.328 2.666 20 5 EFBDHM CC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCC1 ZINC000167407353 473536852 /nfs/dbraw/zinc/53/68/52/473536852.db2.gz JCUUJMRWOWQUNP-UHFFFAOYSA-N -1 3 338.307 2.835 20 5 EFBDHM CCCCc1cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)n[nH]1 ZINC000153387422 473621396 /nfs/dbraw/zinc/62/13/96/473621396.db2.gz FAHKCIQCJJLBOK-UHFFFAOYSA-N -1 3 328.332 2.789 20 5 EFBDHM O=C([N-]c1ccc(OC(F)F)c2cccnc12)c1n[nH]cc1[N+](=O)[O-] ZINC000186413637 473670709 /nfs/dbraw/zinc/67/07/09/473670709.db2.gz XMHFABYLYLLRIU-UHFFFAOYSA-N -1 3 349.253 2.720 20 5 EFBDHM CC1CCC(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])CC2)CC1 ZINC000186548247 473688820 /nfs/dbraw/zinc/68/88/20/473688820.db2.gz WAKJFDINNXQBQF-UHFFFAOYSA-N -1 3 347.415 2.637 20 5 EFBDHM Cc1ccc([C@@H](CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000269180007 473721311 /nfs/dbraw/zinc/72/13/11/473721311.db2.gz KZJOUJWPHSNCHC-QGZVFWFLSA-N -1 3 343.383 2.642 20 5 EFBDHM CCCn1c2ccccc2nc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186836449 473766090 /nfs/dbraw/zinc/76/60/90/473766090.db2.gz LWMDZBJREPXSBM-UHFFFAOYSA-N -1 3 341.327 2.707 20 5 EFBDHM O=C(Nc1cccc(OC(F)F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186948049 473786988 /nfs/dbraw/zinc/78/69/88/473786988.db2.gz DCAULZBFPFZBGS-UHFFFAOYSA-N -1 3 325.227 2.549 20 5 EFBDHM CC(F)(F)C(=O)[N-]CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000288542261 473976276 /nfs/dbraw/zinc/97/62/76/473976276.db2.gz KZBQBEGZJTZORF-UHFFFAOYSA-N -1 3 341.236 2.797 20 5 EFBDHM CC[C@H](CSC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000181615967 474052081 /nfs/dbraw/zinc/05/20/81/474052081.db2.gz JPLBPEPEHUOPLZ-MRVPVSSYSA-N -1 3 338.838 2.668 20 5 EFBDHM Cc1ccc(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c([O-])c1 ZINC000188460353 474101667 /nfs/dbraw/zinc/10/16/67/474101667.db2.gz SGBGBHLBZDJRJS-UHFFFAOYSA-N -1 3 328.324 2.512 20 5 EFBDHM COc1ccc([O-])c(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000183748328 474422311 /nfs/dbraw/zinc/42/23/11/474422311.db2.gz QDGLQRYQPYMUCJ-UHFFFAOYSA-N -1 3 336.731 2.892 20 5 EFBDHM COc1cc(C[NH2+][C@H](CC(=O)[O-])CC(C)(C)C)c([N+](=O)[O-])cc1[O-] ZINC000283851322 474512205 /nfs/dbraw/zinc/51/22/05/474512205.db2.gz HGFLXECROQIOCB-LLVKDONJSA-N -1 3 340.376 2.678 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000284359051 474625980 /nfs/dbraw/zinc/62/59/80/474625980.db2.gz SQMLYAAMSMAAMD-NEPJUHHUSA-N -1 3 332.360 2.520 20 5 EFBDHM O=[N+]([O-])c1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2F)cc1 ZINC000340935939 474795242 /nfs/dbraw/zinc/79/52/42/474795242.db2.gz TUVGQEVZIZELET-UHFFFAOYSA-N -1 3 344.751 2.866 20 5 EFBDHM Cc1ncc(S(=O)(=O)[N-]C(C)(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000339048331 474876403 /nfs/dbraw/zinc/87/64/03/474876403.db2.gz LYXKEATURLICEQ-UHFFFAOYSA-N -1 3 341.414 2.573 20 5 EFBDHM CN(CCCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000269106879 475175778 /nfs/dbraw/zinc/17/57/78/475175778.db2.gz BMOCHVGUNNXODG-UHFFFAOYSA-N -1 3 343.383 2.552 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@@H]1CCCCC1(F)F ZINC000296078644 475189179 /nfs/dbraw/zinc/18/91/79/475189179.db2.gz DXTIOGARMXXFRH-JTQLQIEISA-N -1 3 334.344 2.699 20 5 EFBDHM COc1cc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)ccc1OC(C)C ZINC000345496096 475220251 /nfs/dbraw/zinc/22/02/51/475220251.db2.gz YLGTZUUSEFOVTJ-UHFFFAOYSA-N -1 3 347.327 2.744 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCSCC(C)C ZINC000339456757 475226047 /nfs/dbraw/zinc/22/60/47/475226047.db2.gz CLHQGBHIQZERAE-UHFFFAOYSA-N -1 3 332.447 2.571 20 5 EFBDHM COc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc(OC)c1[O-] ZINC000357891056 475236764 /nfs/dbraw/zinc/23/67/64/475236764.db2.gz JXAZZQMJAOPWDU-UHFFFAOYSA-N -1 3 332.312 2.878 20 5 EFBDHM CNc1c(C(=O)[N-]c2nnc(C(F)F)s2)cccc1[N+](=O)[O-] ZINC000361178321 475248014 /nfs/dbraw/zinc/24/80/14/475248014.db2.gz NBLZMCHOGVVNSZ-UHFFFAOYSA-N -1 3 329.288 2.678 20 5 EFBDHM COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ncccc1[O-] ZINC000341894787 475389526 /nfs/dbraw/zinc/38/95/26/475389526.db2.gz YDQLKCJSYDTIFJ-UHFFFAOYSA-N -1 3 349.368 2.686 20 5 EFBDHM O=C([N-]c1nnc(CC2CCCCC2)s1)c1cc([N+](=O)[O-])n[nH]1 ZINC000352581883 475433854 /nfs/dbraw/zinc/43/38/54/475433854.db2.gz AQMYRKGKTFHQRL-UHFFFAOYSA-N -1 3 336.377 2.545 20 5 EFBDHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000354826606 475439452 /nfs/dbraw/zinc/43/94/52/475439452.db2.gz IPUMRJNRVPLTMW-UHFFFAOYSA-N -1 3 349.310 2.509 20 5 EFBDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000354826606 475439460 /nfs/dbraw/zinc/43/94/60/475439460.db2.gz IPUMRJNRVPLTMW-UHFFFAOYSA-N -1 3 349.310 2.509 20 5 EFBDHM COc1cc(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])ccc1[O-] ZINC000345806843 475467886 /nfs/dbraw/zinc/46/78/86/475467886.db2.gz NSYWDVZYQQGXSM-UHFFFAOYSA-N -1 3 330.340 2.974 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(C(F)(F)F)CCC2)cc1 ZINC000352641735 475484349 /nfs/dbraw/zinc/48/43/49/475484349.db2.gz QZOVPXLJHLMMPR-UHFFFAOYSA-N -1 3 338.307 2.606 20 5 EFBDHM Cc1coc(C)c1C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000352793193 475628926 /nfs/dbraw/zinc/62/89/26/475628926.db2.gz AOJRYXGZPZEUKE-UHFFFAOYSA-N -1 3 326.312 2.869 20 5 EFBDHM COc1ccc([N-]C(=O)c2nc3cccnc3s2)cc1[N+](=O)[O-] ZINC000338185887 475659549 /nfs/dbraw/zinc/65/95/49/475659549.db2.gz OJOYGLNMCMXSFT-UHFFFAOYSA-N -1 3 330.325 2.860 20 5 EFBDHM COc1cc(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc(OC)c1[O-] ZINC000343208939 475856184 /nfs/dbraw/zinc/85/61/84/475856184.db2.gz GYVQHBWQANKMLB-JTQLQIEISA-N -1 3 346.339 2.809 20 5 EFBDHM O=C(CCc1ccco1)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000338429925 475896631 /nfs/dbraw/zinc/89/66/31/475896631.db2.gz WHYYZCSLYZDZTR-UHFFFAOYSA-N -1 3 326.312 2.571 20 5 EFBDHM CC(C)CCO[C@@H](C)C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000338430489 475898649 /nfs/dbraw/zinc/89/86/49/475898649.db2.gz WWFGAVBPBGXAMK-LBPRGKRZSA-N -1 3 346.387 2.797 20 5 EFBDHM CC[C@@H](C)CO[N-]C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000297939480 475930799 /nfs/dbraw/zinc/93/07/99/475930799.db2.gz WCVCXZICULPIAM-SECBINFHSA-N -1 3 339.348 2.789 20 5 EFBDHM Cc1cc2[nH]ncc2cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000358791664 475940618 /nfs/dbraw/zinc/94/06/18/475940618.db2.gz QIJMBJHCGGVNNI-UHFFFAOYSA-N -1 3 332.341 2.580 20 5 EFBDHM Cc1cc(Cl)cc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c1[O-] ZINC000340329354 475950176 /nfs/dbraw/zinc/95/01/76/475950176.db2.gz PSOMGOBEODJGSD-UHFFFAOYSA-N -1 3 338.751 2.833 20 5 EFBDHM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nc(COC)cs2)c1 ZINC000338522856 475979233 /nfs/dbraw/zinc/97/92/33/475979233.db2.gz CWVPVYRYDJOSNC-UHFFFAOYSA-N -1 3 337.357 2.849 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)CC(F)(F)F)c([N+](=O)[O-])c1 ZINC000362093631 475995525 /nfs/dbraw/zinc/99/55/25/475995525.db2.gz KDNHHTROLQDIOF-QMMMGPOBSA-N -1 3 326.296 2.522 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)CC(F)(F)F)c1C ZINC000362096603 475997490 /nfs/dbraw/zinc/99/74/90/475997490.db2.gz LAROHQSPOJPTMT-MRVPVSSYSA-N -1 3 340.323 2.831 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC2=CCCCC2)c(F)c1 ZINC000340400284 476010821 /nfs/dbraw/zinc/01/08/21/476010821.db2.gz GEXXTBCWEZHUOZ-UHFFFAOYSA-N -1 3 328.365 2.903 20 5 EFBDHM CC(C)(C)c1ccc(O)c(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000358943633 476060191 /nfs/dbraw/zinc/06/01/91/476060191.db2.gz DXXDMFBTKOFTLD-UHFFFAOYSA-N -1 3 331.328 2.951 20 5 EFBDHM COC(=O)c1c(F)ccc([N-]C(=O)c2csc([N+](=O)[O-])c2)c1F ZINC000362266924 476126969 /nfs/dbraw/zinc/12/69/69/476126969.db2.gz GHAFIYMESUTUHD-UHFFFAOYSA-N -1 3 342.279 2.973 20 5 EFBDHM COc1c(C(=O)[N-]c2nc3cc(Cl)ccn3n2)cccc1[N+](=O)[O-] ZINC000362301406 476153837 /nfs/dbraw/zinc/15/38/37/476153837.db2.gz RRDQEWYEWAOVIX-UHFFFAOYSA-N -1 3 347.718 2.552 20 5 EFBDHM O=C(Nc1ncccc1OC(F)F)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000340638389 476172051 /nfs/dbraw/zinc/17/20/51/476172051.db2.gz BJLJKWGFIVSDCO-UHFFFAOYSA-N -1 3 349.253 2.720 20 5 EFBDHM Cc1[nH]nc(C(=O)[N-]c2cc(Br)ccc2F)c1[N+](=O)[O-] ZINC000347210642 476173741 /nfs/dbraw/zinc/17/37/41/476173741.db2.gz XPICWKKRUQCNFY-UHFFFAOYSA-N -1 3 343.112 2.780 20 5 EFBDHM O=C([O-])C1(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCOCC1 ZINC000340679790 476201525 /nfs/dbraw/zinc/20/15/25/476201525.db2.gz NLLOMAQLHQFRTH-UHFFFAOYSA-N -1 3 346.339 2.578 20 5 EFBDHM Cc1ncc(CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(=O)[n-]1 ZINC000344336520 476260690 /nfs/dbraw/zinc/26/06/90/476260690.db2.gz SOVFBVICRCWXQA-UHFFFAOYSA-N -1 3 340.339 2.949 20 5 EFBDHM O=C(c1n[n-]c2ccc([N+](=O)[O-])cc21)N1CCSc2ncccc21 ZINC000359799165 476263693 /nfs/dbraw/zinc/26/36/93/476263693.db2.gz OVQJHVHYXKTXCC-UHFFFAOYSA-N -1 3 341.352 2.619 20 5 EFBDHM NC(=O)c1ccc([N-]C(=O)c2c(Cl)cccc2[N+](=O)[O-])c(F)c1 ZINC000357153820 476266700 /nfs/dbraw/zinc/26/67/00/476266700.db2.gz VZPMNCLPCOENRP-UHFFFAOYSA-N -1 3 337.694 2.739 20 5 EFBDHM COC(=O)c1cc([N-]C(=O)c2scnc2C)c(C)c([N+](=O)[O-])c1 ZINC000362637259 476336110 /nfs/dbraw/zinc/33/61/10/476336110.db2.gz XOWXQWMDKQDBSX-UHFFFAOYSA-N -1 3 335.341 2.707 20 5 EFBDHM CC[C@@H](C)C[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000360878333 476448040 /nfs/dbraw/zinc/44/80/40/476448040.db2.gz OWFFGMNZTPBKHU-GHMZBOCLSA-N -1 3 330.406 2.706 20 5 EFBDHM O=[N+]([O-])c1ccccc1CC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000360886556 476454614 /nfs/dbraw/zinc/45/46/14/476454614.db2.gz GLXQAWYMCCXCAX-UHFFFAOYSA-N -1 3 346.817 2.831 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3CCC[C@@H]3C2)c(F)c1 ZINC000360893368 476459674 /nfs/dbraw/zinc/45/96/74/476459674.db2.gz KPTMQCOVHFAYIY-QJPTWQEYSA-N -1 3 342.392 2.981 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3CCC[C@H]3C2)c(F)c1 ZINC000360893370 476459907 /nfs/dbraw/zinc/45/99/07/476459907.db2.gz KPTMQCOVHFAYIY-SDDRHHMPSA-N -1 3 342.392 2.981 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCC(F)(F)C2)c([N+](=O)[O-])c1 ZINC000429901514 476712871 /nfs/dbraw/zinc/71/28/71/476712871.db2.gz MUELXHOJIQNQJJ-SNVBAGLBSA-N -1 3 334.344 2.617 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-]CC(C)(C)C(C)C)c([N+](=O)[O-])c1 ZINC000445751704 476766141 /nfs/dbraw/zinc/76/61/41/476766141.db2.gz WRRTVAUVKJOUMM-UHFFFAOYSA-N -1 3 330.406 2.564 20 5 EFBDHM O=C([N-]c1cccc(F)c1-c1nc[nH]n1)c1ccc([N+](=O)[O-])s1 ZINC000370592470 476885492 /nfs/dbraw/zinc/88/54/92/476885492.db2.gz GUNUSMRWRBHNMX-UHFFFAOYSA-N -1 3 333.304 2.833 20 5 EFBDHM COc1cc(SC)ccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000446978099 476940304 /nfs/dbraw/zinc/94/03/04/476940304.db2.gz ANFDXEFVSWSWPD-UHFFFAOYSA-N -1 3 335.341 2.678 20 5 EFBDHM O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1cc([O-])ccc1Cl ZINC000431820584 477100999 /nfs/dbraw/zinc/10/09/99/477100999.db2.gz IDIPPNJBYJFTJF-UHFFFAOYSA-N -1 3 332.703 2.504 20 5 EFBDHM COc1cc(CNc2cccc(N3CCC3=O)c2)c([N+](=O)[O-])cc1[O-] ZINC000447978138 477108064 /nfs/dbraw/zinc/10/80/64/477108064.db2.gz QXRSNKZQXRXVPM-UHFFFAOYSA-N -1 3 343.339 2.658 20 5 EFBDHM CN[C@H](CC(C)(C)C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000423750638 477131332 /nfs/dbraw/zinc/13/13/32/477131332.db2.gz XXPKMPOKWVJYHZ-SNVBAGLBSA-N -1 3 329.784 2.917 20 5 EFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000416377638 477151908 /nfs/dbraw/zinc/15/19/08/477151908.db2.gz XPYLGGXFNUSKLY-SSDOTTSWSA-N -1 3 338.307 2.690 20 5 EFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCC2CC(F)(F)C2)c1[N+](=O)[O-] ZINC000416503019 477190864 /nfs/dbraw/zinc/19/08/64/477190864.db2.gz TXYCSLCSHVIFHY-UHFFFAOYSA-N -1 3 348.371 2.925 20 5 EFBDHM CC[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000416584929 477228523 /nfs/dbraw/zinc/22/85/23/477228523.db2.gz BDMJZRZJJWFCOY-SECBINFHSA-N -1 3 340.323 2.852 20 5 EFBDHM Cc1ccc(C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c([O-])c1C ZINC000436613597 477532975 /nfs/dbraw/zinc/53/29/75/477532975.db2.gz WJYGEQFKLWMDQO-UHFFFAOYSA-N -1 3 342.351 2.952 20 5 EFBDHM Cc1ccc(NCCCNC(=O)c2c([O-])cccc2O)c([N+](=O)[O-])c1 ZINC000436650889 477546868 /nfs/dbraw/zinc/54/68/68/477546868.db2.gz YIEWYBWJAYSDPH-UHFFFAOYSA-N -1 3 345.355 2.546 20 5 EFBDHM O=C(Nc1c2c(cc3c1CCC3)CCC2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000427640936 477775683 /nfs/dbraw/zinc/77/56/83/477775683.db2.gz ZNPDVXBESALHEB-UHFFFAOYSA-N -1 3 339.351 2.925 20 5 EFBDHM Cc1cc(C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)ccc1[O-] ZINC000427972641 477796176 /nfs/dbraw/zinc/79/61/76/477796176.db2.gz NTJZQEPZLKZHBI-UHFFFAOYSA-N -1 3 328.324 2.644 20 5 EFBDHM CN(C)CCc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000438568968 477865535 /nfs/dbraw/zinc/86/55/35/477865535.db2.gz CPKHNFVRWQKIQZ-UHFFFAOYSA-N -1 3 329.356 2.657 20 5 EFBDHM Cc1ccc([C@H](C)NC(=O)N=c2cc3ccccn3[n-]2)cc1[N+](=O)[O-] ZINC000558467326 477875252 /nfs/dbraw/zinc/87/52/52/477875252.db2.gz OGWSHHPCXXIOFJ-LBPRGKRZSA-N -1 3 339.355 2.856 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1C[C@@H]1Cc1ccccc1 ZINC000462502945 477904179 /nfs/dbraw/zinc/90/41/79/477904179.db2.gz POKLUACNSUQVBE-GJZGRUSLSA-N -1 3 346.408 2.813 20 5 EFBDHM O=C([N-]c1cc(F)cc([N+](=O)[O-])c1)c1cc(CN2CCCC2)on1 ZINC000487555939 478047481 /nfs/dbraw/zinc/04/74/81/478047481.db2.gz HQJNCLPGHXDGDO-UHFFFAOYSA-N -1 3 334.307 2.570 20 5 EFBDHM O=C(c1n[n-]c2ccc([N+](=O)[O-])cc21)N1CCSc2ccncc21 ZINC000440384855 478111800 /nfs/dbraw/zinc/11/18/00/478111800.db2.gz NSCAKDDIZVVKQG-UHFFFAOYSA-N -1 3 341.352 2.619 20 5 EFBDHM CC(C)n1cc2ccc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)cc2n1 ZINC000488227956 478131156 /nfs/dbraw/zinc/13/11/56/478131156.db2.gz HLLUTFUOZZIAEP-UHFFFAOYSA-N -1 3 341.327 2.878 20 5 EFBDHM COC(=O)c1cc([N-]C(=O)c2cnc(C)s2)c(C)c([N+](=O)[O-])c1 ZINC000489750206 478267535 /nfs/dbraw/zinc/26/75/35/478267535.db2.gz DHRORTATDWEOND-UHFFFAOYSA-N -1 3 335.341 2.707 20 5 EFBDHM CNc1ccc(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)cc1[N+](=O)[O-] ZINC000519998627 478272945 /nfs/dbraw/zinc/27/29/45/478272945.db2.gz XGVVWJXOXHDMFD-UHFFFAOYSA-N -1 3 337.339 2.701 20 5 EFBDHM O=C([O-])[C@H]1c2ccccc2CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000579365102 478281323 /nfs/dbraw/zinc/28/13/23/478281323.db2.gz MNSQNMKUNWBWQD-QGZVFWFLSA-N -1 3 342.351 2.658 20 5 EFBDHM CCC1([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)CCCCC1 ZINC000590762863 478325492 /nfs/dbraw/zinc/32/54/92/478325492.db2.gz ZTIKJXMPTJOYQI-UHFFFAOYSA-N -1 3 342.417 2.995 20 5 EFBDHM COc1cc(CN2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000600675091 478463287 /nfs/dbraw/zinc/46/32/87/478463287.db2.gz OPVNSLVKEGILLY-MELADBBJSA-N -1 3 334.372 2.679 20 5 EFBDHM COc1cc(CN2CC[C@H](C(=O)[O-])[C@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000600675093 478463735 /nfs/dbraw/zinc/46/37/35/478463735.db2.gz OPVNSLVKEGILLY-RDBSUJKOSA-N -1 3 334.372 2.679 20 5 EFBDHM COc1ccc(CN[C@H]2C[C@@H](CCC(=O)[O-])C2(C)C)cc1[N+](=O)[O-] ZINC000594691547 478496955 /nfs/dbraw/zinc/49/69/55/478496955.db2.gz VBJSXEASOGCMQU-DOMZBBRYSA-N -1 3 336.388 2.973 20 5 EFBDHM CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594750925 478530065 /nfs/dbraw/zinc/53/00/65/478530065.db2.gz QSZHMTVKAIOOQZ-GHMZBOCLSA-N -1 3 337.401 2.856 20 5 EFBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]C[C@H]1CC=CCC1 ZINC000594751792 478530272 /nfs/dbraw/zinc/53/02/72/478530272.db2.gz BMNYPCRLSNWISN-LBPRGKRZSA-N -1 3 347.396 2.778 20 5 EFBDHM CC(C)C(C)(C)[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594758729 478532548 /nfs/dbraw/zinc/53/25/48/478532548.db2.gz DSHSDUGTEDTEGQ-UHFFFAOYSA-N -1 3 337.401 2.856 20 5 EFBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]CC1(C2CC2)CC1 ZINC000594765924 478535613 /nfs/dbraw/zinc/53/56/13/478535613.db2.gz RXXOIGZMUAVPPU-UHFFFAOYSA-N -1 3 347.396 2.612 20 5 EFBDHM C[C@H]([N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])C1CCC1 ZINC000594766774 478536350 /nfs/dbraw/zinc/53/63/50/478536350.db2.gz WYIDCJFTIKKQIN-JTQLQIEISA-N -1 3 335.385 2.610 20 5 EFBDHM CC(C)[C@]1(C)C[C@@H]1[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594783526 478540243 /nfs/dbraw/zinc/54/02/43/478540243.db2.gz KFQSTAFTNLOPOS-HOCLYGCPSA-N -1 3 349.412 2.856 20 5 EFBDHM C[C@H](c1ccccc1[N+](=O)[O-])N1CCC([C@@H]2OCC[C@H]2C(=O)[O-])CC1 ZINC000571219340 478546939 /nfs/dbraw/zinc/54/69/39/478546939.db2.gz CYAXYZAHHAKRRI-VMGRFDJRSA-N -1 3 348.399 2.858 20 5 EFBDHM O=C([O-])[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@@H]1c1ccccc1 ZINC000564218598 478709293 /nfs/dbraw/zinc/70/92/93/478709293.db2.gz GIYPQXLSLIXJDB-IAGOWNOFSA-N -1 3 326.352 2.895 20 5 EFBDHM C[C@@]12CN(Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000595279689 478711307 /nfs/dbraw/zinc/71/13/07/478711307.db2.gz XAEQASUIILQQTK-OPNLHGRLSA-N -1 3 328.368 2.937 20 5 EFBDHM Cc1cc(NCCCc2c[n-][nH]c2=O)c([N+](=O)[O-])cc1C(F)(F)F ZINC000601196099 478718511 /nfs/dbraw/zinc/71/85/11/478718511.db2.gz ZAPROMYIMZZQAP-SECBINFHSA-N -1 3 344.293 2.846 20 5 EFBDHM Cc1cc(NCCCc2c[n-][nH]c2=O)c([N+](=O)[O-])cc1C(F)(F)F ZINC000601196103 478718775 /nfs/dbraw/zinc/71/87/75/478718775.db2.gz ZAPROMYIMZZQAP-VIFPVBQESA-N -1 3 344.293 2.846 20 5 EFBDHM CCN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCC(C(=O)[O-])CC1 ZINC000572304481 478802687 /nfs/dbraw/zinc/80/26/87/478802687.db2.gz RIBMGRAIZGFRLK-UHFFFAOYSA-N -1 3 346.387 2.936 20 5 EFBDHM COc1cc(Cc2nc3cc([O-])ccc3c(=O)[nH]2)ccc1[N+](=O)[O-] ZINC000545180400 478892640 /nfs/dbraw/zinc/89/26/40/478892640.db2.gz OOBUYCNZPTTZEY-UHFFFAOYSA-N -1 3 327.296 2.549 20 5 EFBDHM COc1cc(Cc2nc3cc(=O)ccc-3c([O-])[nH]2)ccc1[N+](=O)[O-] ZINC000545180400 478892644 /nfs/dbraw/zinc/89/26/44/478892644.db2.gz OOBUYCNZPTTZEY-UHFFFAOYSA-N -1 3 327.296 2.549 20 5 EFBDHM CCOc1cc([N-]C(=O)c2nccnc2C)c([N+](=O)[O-])cc1OCC ZINC000598804591 479030673 /nfs/dbraw/zinc/03/06/73/479030673.db2.gz YTQJOIXETFJGGA-UHFFFAOYSA-N -1 3 346.343 2.743 20 5 EFBDHM COc1ccccc1CO[N-]C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000493593951 479072600 /nfs/dbraw/zinc/07/26/00/479072600.db2.gz QVVPQYIJNONAKN-KTKRTIGZSA-N -1 3 328.324 2.865 20 5 EFBDHM Cc1cc(N2CCN(C3CCCC3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592968630 479110150 /nfs/dbraw/zinc/11/01/50/479110150.db2.gz WPCYOTVLFKRLHN-UHFFFAOYSA-N -1 3 333.388 2.666 20 5 EFBDHM O=c1[n-]ccc(N2CCN(c3ccccc3Cl)CC2)c1[N+](=O)[O-] ZINC000596056239 479110789 /nfs/dbraw/zinc/11/07/89/479110789.db2.gz UVARDTJYRSEGFH-UHFFFAOYSA-N -1 3 334.763 2.675 20 5 EFBDHM O=c1[n-]ccc(NC[C@@H](c2ccco2)N2CCCCC2)c1[N+](=O)[O-] ZINC000596055531 479111118 /nfs/dbraw/zinc/11/11/18/479111118.db2.gz WJIJJBRDTWWOPD-ZDUSSCGKSA-N -1 3 332.360 2.928 20 5 EFBDHM COc1ccc(OC2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)cc1 ZINC000596082945 479127371 /nfs/dbraw/zinc/12/73/71/479127371.db2.gz UTJBXQPDCKVQJR-UHFFFAOYSA-N -1 3 345.355 2.752 20 5 EFBDHM O=c1[n-]ccc(N2CCN(c3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000596094447 479135055 /nfs/dbraw/zinc/13/50/55/479135055.db2.gz QQODMEKBXRHDLL-UHFFFAOYSA-N -1 3 334.763 2.675 20 5 EFBDHM Cc1ccc([C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])N2CCCC2)o1 ZINC000596108387 479142653 /nfs/dbraw/zinc/14/26/53/479142653.db2.gz BMEJHDUGCUDUQF-CYBMUJFWSA-N -1 3 332.360 2.846 20 5 EFBDHM CN(C)[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1c(F)cccc1F ZINC000596129998 479154444 /nfs/dbraw/zinc/15/44/44/479154444.db2.gz UDHVOXLNPXZSHM-GFCCVEGCSA-N -1 3 338.314 2.688 20 5 EFBDHM O=c1[n-]ccc(N2CCC3(CC2)OCc2ccccc23)c1[N+](=O)[O-] ZINC000596161712 479172581 /nfs/dbraw/zinc/17/25/81/479172581.db2.gz YWJSRQCGABNVED-UHFFFAOYSA-N -1 3 327.340 2.721 20 5 EFBDHM CC(C)(C)OC(=O)C[C@@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596162104 479172785 /nfs/dbraw/zinc/17/27/85/479172785.db2.gz YRIJAUYADSVKHQ-NSHDSACASA-N -1 3 337.376 2.644 20 5 EFBDHM O=c1[n-]ccc(N2CCN(Cc3ccccc3Cl)CC2)c1[N+](=O)[O-] ZINC000596167293 479175422 /nfs/dbraw/zinc/17/54/22/479175422.db2.gz BGUZXFOBJPCKFE-UHFFFAOYSA-N -1 3 348.790 2.671 20 5 EFBDHM Cc1ccc(C)c(N2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)c1 ZINC000596168128 479176931 /nfs/dbraw/zinc/17/69/31/479176931.db2.gz LDZDSHFKMZOKSK-UHFFFAOYSA-N -1 3 328.372 2.639 20 5 EFBDHM COC(=O)[C@@H](Cc1ccc(C)cc1)Sc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596222698 479208631 /nfs/dbraw/zinc/20/86/31/479208631.db2.gz IBMMPDUBOKDQHI-CYBMUJFWSA-N -1 3 348.380 2.880 20 5 EFBDHM CC[C@]1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])OCCc2ccccc21 ZINC000596238994 479218313 /nfs/dbraw/zinc/21/83/13/479218313.db2.gz MUIOTDFRSGJHIB-QGZVFWFLSA-N -1 3 329.356 2.986 20 5 EFBDHM O=c1[n-]ccc(NC[C@H]2CCN(c3ccccc3F)C2)c1[N+](=O)[O-] ZINC000596242549 479219080 /nfs/dbraw/zinc/21/90/80/479219080.db2.gz XALUOTGPFFFOMQ-LLVKDONJSA-N -1 3 332.335 2.773 20 5 EFBDHM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])C(C[C@@H]1CCCO1)C(F)(F)F ZINC000593553784 479385990 /nfs/dbraw/zinc/38/59/90/479385990.db2.gz PMLKZZYYAJKUDS-VHSXEESVSA-N -1 3 348.277 2.987 20 5 EFBDHM CSc1ccncc1[N-]C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000611512930 479401733 /nfs/dbraw/zinc/40/17/33/479401733.db2.gz DUHSBOYLFDGHGA-UHFFFAOYSA-N -1 3 333.325 2.693 20 5 EFBDHM CCN=c1[n-]c(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cs1 ZINC000596904463 479479706 /nfs/dbraw/zinc/47/97/06/479479706.db2.gz NZURCSWHGGEECG-UHFFFAOYSA-N -1 3 348.428 2.956 20 5 EFBDHM CC(C)(CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000614856835 479529386 /nfs/dbraw/zinc/52/93/86/479529386.db2.gz NQMFOPUMTXPJDQ-UHFFFAOYSA-N -1 3 326.296 2.604 20 5 EFBDHM C[C@H](NC(=O)c1ccc2[nH][n-]c(=O)c2c1)c1cccc([N+](=O)[O-])c1 ZINC000590423141 479645446 /nfs/dbraw/zinc/64/54/46/479645446.db2.gz FRSXFBHLPVXSCA-VIFPVBQESA-N -1 3 326.312 2.668 20 5 EFBDHM Cc1cc(S(=O)(=O)[N-]Cc2cccc(F)c2)c(F)cc1[N+](=O)[O-] ZINC000590589015 479663890 /nfs/dbraw/zinc/66/38/90/479663890.db2.gz PVFMDGXXISBPNA-UHFFFAOYSA-N -1 3 342.323 2.660 20 5 EFBDHM CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619476252 479805714 /nfs/dbraw/zinc/80/57/14/479805714.db2.gz VUSFKSLHXUJDNH-RYUDHWBXSA-N -1 3 342.417 2.851 20 5 EFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000619483484 479807862 /nfs/dbraw/zinc/80/78/62/479807862.db2.gz FVFVOZVRAMZYOH-GRYCIOLGSA-N -1 3 342.417 2.706 20 5 EFBDHM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCSc2ccccc21 ZINC000616020068 479809867 /nfs/dbraw/zinc/80/98/67/479809867.db2.gz PXVNYCDNGAHNDS-UHFFFAOYSA-N -1 3 331.353 2.838 20 5 EFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1CCCCC1(C)C ZINC000619490989 479810686 /nfs/dbraw/zinc/81/06/86/479810686.db2.gz YFXSURZGSULEMA-ZDUSSCGKSA-N -1 3 342.417 2.851 20 5 EFBDHM CC(C)n1ncc2cc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)ccc21 ZINC000609772400 480203403 /nfs/dbraw/zinc/20/34/03/480203403.db2.gz MOKAUFSQFBCQSV-UHFFFAOYSA-N -1 3 341.327 2.878 20 5 EFBDHM CC[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000610136586 480242134 /nfs/dbraw/zinc/24/21/34/480242134.db2.gz RVSCPLVINIBCHT-RYUDHWBXSA-N -1 3 342.417 2.851 20 5 EFBDHM CC[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000610136554 480242928 /nfs/dbraw/zinc/24/29/28/480242928.db2.gz QIZFCSVJVUEZDV-WDEREUQCSA-N -1 3 330.381 2.981 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1C[C@@]1(C)c1ccccc1 ZINC000610265532 480265910 /nfs/dbraw/zinc/26/59/10/480265910.db2.gz RNJJCMXIOWEOPB-RDJZCZTQSA-N -1 3 346.408 2.912 20 5 EFBDHM C[C@@H](C(=O)Nc1nnc(-c2ccco2)[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000617718546 480333680 /nfs/dbraw/zinc/33/36/80/480333680.db2.gz PRNBLWJBKQEJGM-SECBINFHSA-N -1 3 327.300 2.715 20 5 EFBDHM C[C@@H](C(=O)Nc1nc(-c2ccco2)n[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000617718546 480333685 /nfs/dbraw/zinc/33/36/85/480333685.db2.gz PRNBLWJBKQEJGM-SECBINFHSA-N -1 3 327.300 2.715 20 5 EFBDHM C[C@@H](C(=O)Nc1n[n-]c(-c2ccco2)n1)c1cccc([N+](=O)[O-])c1 ZINC000617718546 480333688 /nfs/dbraw/zinc/33/36/88/480333688.db2.gz PRNBLWJBKQEJGM-SECBINFHSA-N -1 3 327.300 2.715 20 5 EFBDHM O=C(Nc1ccc2c(cnn2C(F)F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000618383690 480651753 /nfs/dbraw/zinc/65/17/53/480651753.db2.gz NGQBKOQLENCDKW-UHFFFAOYSA-N -1 3 349.253 2.693 20 5 EFBDHM O=C(Nc1ccccc1N1CCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186856355 534396847 /nfs/dbraw/zinc/39/68/47/534396847.db2.gz HYVYLMWAMUDMOU-UHFFFAOYSA-N -1 3 328.328 2.548 20 5 EFBDHM CN(C)c1ccccc1N(C)C(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000153690827 522294713 /nfs/dbraw/zinc/29/47/13/522294713.db2.gz DOLHGAMMYFHWOE-UHFFFAOYSA-N -1 3 339.355 2.814 20 5 EFBDHM COc1csc(C(=O)[N-]c2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000177405818 524957267 /nfs/dbraw/zinc/95/72/67/524957267.db2.gz IFBFTEBQYOEPPZ-UHFFFAOYSA-N -1 3 345.340 2.702 20 5 EFBDHM CC(=O)c1ccc(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1[O-] ZINC000436582366 534836264 /nfs/dbraw/zinc/83/62/64/534836264.db2.gz HNEVPQNXIKHTSS-SNVBAGLBSA-N -1 3 328.324 2.994 20 5 EFBDHM Cc1cc(NCCCNC(=O)c2cccc([O-])c2)ccc1[N+](=O)[O-] ZINC000078727552 525266345 /nfs/dbraw/zinc/26/63/45/525266345.db2.gz AFFKGVUABSWPIL-UHFFFAOYSA-N -1 3 329.356 2.841 20 5 EFBDHM Cc1c(Br)cc(C(=O)[N-]c2nncs2)cc1[N+](=O)[O-] ZINC000119680089 525526543 /nfs/dbraw/zinc/52/65/43/525526543.db2.gz LNNYBPBHWFHZAL-UHFFFAOYSA-N -1 3 343.162 2.770 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@]2(C)CCCS2)c1C ZINC000121567109 526066672 /nfs/dbraw/zinc/06/66/72/526066672.db2.gz CKRYETRBABJQBH-CQSZACIVSA-N -1 3 344.458 2.776 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)c2cccnc2)c1C ZINC000119390903 526067919 /nfs/dbraw/zinc/06/79/19/526067919.db2.gz TUPFFVXDQMVYTJ-LBPRGKRZSA-N -1 3 335.385 2.646 20 5 EFBDHM Cn1cc(-c2csc([N-]C(=O)c3ccc([N+](=O)[O-])s3)n2)cn1 ZINC000150989667 527138248 /nfs/dbraw/zinc/13/82/48/527138248.db2.gz PBOPMWUQNCTGLZ-UHFFFAOYSA-N -1 3 335.370 2.766 20 5 EFBDHM CC(C)N(C)c1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1F ZINC000186983668 528845302 /nfs/dbraw/zinc/84/53/02/528845302.db2.gz LRQPASBQNNMLOI-UHFFFAOYSA-N -1 3 348.334 2.931 20 5 EFBDHM CCNC(=O)c1ccc(NCc2cc(OC)c([O-])cc2[N+](=O)[O-])cc1 ZINC000195106020 535435753 /nfs/dbraw/zinc/43/57/53/535435753.db2.gz MLICUZZLYMGJAR-UHFFFAOYSA-N -1 3 345.355 2.671 20 5 EFBDHM CCc1[nH]nc(C(=O)[N-]c2nc(CC(F)(F)F)cs2)c1[N+](=O)[O-] ZINC000341307271 536009223 /nfs/dbraw/zinc/00/92/23/536009223.db2.gz RKGMCVHJVZKRTR-UHFFFAOYSA-N -1 3 349.294 2.694 20 5 EFBDHM COC(=O)c1ccc(NCc2cc(OC)c([O-])cc2[N+](=O)[O-])cc1 ZINC000351492048 536786990 /nfs/dbraw/zinc/78/69/90/536786990.db2.gz KIHUKWQPAWUDSZ-UHFFFAOYSA-N -1 3 332.312 2.708 20 5 EFBDHM CSc1ccc(C(=O)Nc2nnc(-c3ccco3)[n-]2)cc1[N+](=O)[O-] ZINC000192594585 545528695 /nfs/dbraw/zinc/52/86/95/545528695.db2.gz FQPLBKNYXNATAK-UHFFFAOYSA-N -1 3 345.340 2.947 20 5 EFBDHM CSc1ccc(C(=O)Nc2nc(-c3ccco3)n[n-]2)cc1[N+](=O)[O-] ZINC000192594585 545528699 /nfs/dbraw/zinc/52/86/99/545528699.db2.gz FQPLBKNYXNATAK-UHFFFAOYSA-N -1 3 345.340 2.947 20 5 EFBDHM CSc1ccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)cc1[N+](=O)[O-] ZINC000192594585 545528703 /nfs/dbraw/zinc/52/87/03/545528703.db2.gz FQPLBKNYXNATAK-UHFFFAOYSA-N -1 3 345.340 2.947 20 5 EFBDHM COc1cc(C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)ccc1[O-] ZINC000757096889 575821795 /nfs/dbraw/zinc/82/17/95/575821795.db2.gz FTUDYGOBGUVKPX-UHFFFAOYSA-N -1 3 344.279 2.807 20 5 EFBDHM COc1cc(C(=O)OCCOc2ccc([N+](=O)[O-])cc2)ccc1[O-] ZINC000757099696 575822648 /nfs/dbraw/zinc/82/26/48/575822648.db2.gz DHIBQGXEDHHBGV-UHFFFAOYSA-N -1 3 333.296 2.545 20 5 EFBDHM Cc1cc([O-])ccc1C(=O)O[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000758518670 575871445 /nfs/dbraw/zinc/87/14/45/575871445.db2.gz WAXRKDZVBYNRKR-LLVKDONJSA-N -1 3 344.323 2.793 20 5 EFBDHM Cc1cc([O-])ccc1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000758538823 575872021 /nfs/dbraw/zinc/87/20/21/575872021.db2.gz YMUHSOXFJYNSDK-UHFFFAOYSA-N -1 3 348.286 2.543 20 5 EFBDHM CCOc1cccc(COC(=O)c2[n-]nc3ccc([N+](=O)[O-])cc32)n1 ZINC000761451415 576162413 /nfs/dbraw/zinc/16/24/13/576162413.db2.gz NFAPACZAGWOLCF-UHFFFAOYSA-N -1 3 342.311 2.622 20 5 EFBDHM CCOc1cccc(COC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)n1 ZINC000761451415 576162415 /nfs/dbraw/zinc/16/24/15/576162415.db2.gz NFAPACZAGWOLCF-UHFFFAOYSA-N -1 3 342.311 2.622 20 5 EFBDHM Cc1cc([N-]C(=O)[C@@H](C)OC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)on1 ZINC000763404414 576376033 /nfs/dbraw/zinc/37/60/33/576376033.db2.gz RFTBKGXWFGFWQI-GHMZBOCLSA-N -1 3 347.327 2.565 20 5 EFBDHM C[C@@H](CCc1ccco1)[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768795475 577303508 /nfs/dbraw/zinc/30/35/08/577303508.db2.gz SMZMAYXVWXDGGA-VIFPVBQESA-N -1 3 330.387 2.549 20 5 EFBDHM CC(C)([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000768808815 577304490 /nfs/dbraw/zinc/30/44/90/577304490.db2.gz GSFCQYPZFYGGRN-UHFFFAOYSA-N -1 3 326.399 2.870 20 5 EFBDHM C[C@@H](C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000768810969 577304913 /nfs/dbraw/zinc/30/49/13/577304913.db2.gz NGGDJTYZRLJDRS-VIFPVBQESA-N -1 3 344.389 2.877 20 5 EFBDHM CCC1(CC)[C@H](OC)C[C@@H]1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768862436 577311200 /nfs/dbraw/zinc/31/12/00/577311200.db2.gz KPHDZSRYCUSWOW-WDEREUQCSA-N -1 3 348.446 2.528 20 5 EFBDHM O=C(Nc1ccc(N2CCCC2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770133496 577403672 /nfs/dbraw/zinc/40/36/72/577403672.db2.gz IBHBONRVRAYDIP-UHFFFAOYSA-N -1 3 328.328 2.548 20 5 EFBDHM O=C(Nc1cccc(N2CCCCC2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770260044 577408865 /nfs/dbraw/zinc/40/88/65/577408865.db2.gz BBCCINBLECRGEV-UHFFFAOYSA-N -1 3 342.355 2.938 20 5 EFBDHM O=C(Nc1cc(-c2ccccc2F)no1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770425173 577417464 /nfs/dbraw/zinc/41/74/64/577417464.db2.gz UENMPORIESLTNU-UHFFFAOYSA-N -1 3 344.258 2.742 20 5 EFBDHM O=[N+]([O-])c1cccc(F)c1CSc1cc(-c2nnn[n-]2)ccn1 ZINC000738368085 577419276 /nfs/dbraw/zinc/41/92/76/577419276.db2.gz DINUYSKKBINBEW-UHFFFAOYSA-N -1 3 332.320 2.601 20 5 EFBDHM O=[N+]([O-])c1cccc(F)c1CSc1cc(-c2nn[n-]n2)ccn1 ZINC000738368085 577419278 /nfs/dbraw/zinc/41/92/78/577419278.db2.gz DINUYSKKBINBEW-UHFFFAOYSA-N -1 3 332.320 2.601 20 5 EFBDHM COc1cccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1F ZINC000771520998 581220313 /nfs/dbraw/zinc/22/03/13/581220313.db2.gz YCYXFZSFWNMSSZ-UHFFFAOYSA-N -1 3 330.275 2.871 20 5 EFBDHM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]Oc2ccccc2)cc1OC ZINC000773466952 581434367 /nfs/dbraw/zinc/43/43/67/581434367.db2.gz PHOJKMQXKRSCRG-UHFFFAOYSA-N -1 3 332.312 2.726 20 5 EFBDHM CC(C)C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000774894323 581503413 /nfs/dbraw/zinc/50/34/13/581503413.db2.gz LFNILAGYQTVORH-NEPJUHHUSA-N -1 3 348.446 2.528 20 5 EFBDHM C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000736137451 598937890 /nfs/dbraw/zinc/93/78/90/598937890.db2.gz MOADFIRPUAVZLQ-MRVPVSSYSA-N -1 3 345.750 2.996 20 5 EFBDHM C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000736137451 598937891 /nfs/dbraw/zinc/93/78/91/598937891.db2.gz MOADFIRPUAVZLQ-MRVPVSSYSA-N -1 3 345.750 2.996 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1Oc1ncc(-c2nnn[n-]2)cc1Cl ZINC000737052275 598939664 /nfs/dbraw/zinc/93/96/64/598939664.db2.gz QHYUMANIBSOJBM-UHFFFAOYSA-N -1 3 348.706 2.624 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1Oc1ncc(-c2nn[n-]n2)cc1Cl ZINC000737052275 598939665 /nfs/dbraw/zinc/93/96/65/598939665.db2.gz QHYUMANIBSOJBM-UHFFFAOYSA-N -1 3 348.706 2.624 20 5 EFBDHM C[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@H]1c1ccccc1 ZINC000820776721 599095776 /nfs/dbraw/zinc/09/57/76/599095776.db2.gz NAQQGGUEOWYAIA-MEDUHNTESA-N -1 3 336.355 2.972 20 5 EFBDHM C[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@H]1c1ccccc1 ZINC000820776721 599095780 /nfs/dbraw/zinc/09/57/80/599095780.db2.gz NAQQGGUEOWYAIA-MEDUHNTESA-N -1 3 336.355 2.972 20 5 EFBDHM CN(Cc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1F ZINC000736829200 598236912 /nfs/dbraw/zinc/23/69/12/598236912.db2.gz WMIQTSKTKDGAEN-UHFFFAOYSA-N -1 3 328.307 2.550 20 5 EFBDHM O=[N+]([O-])c1ccc(N(Cc2ccccc2)C2CC2)c(-c2nnn[n-]2)c1 ZINC000738371633 598814693 /nfs/dbraw/zinc/81/46/93/598814693.db2.gz VIRRPWOTQSZQMQ-UHFFFAOYSA-N -1 3 336.355 2.944 20 5 EFBDHM O=[N+]([O-])c1ccc(N(Cc2ccccc2)C2CC2)c(-c2nn[n-]n2)c1 ZINC000738371633 598814695 /nfs/dbraw/zinc/81/46/95/598814695.db2.gz VIRRPWOTQSZQMQ-UHFFFAOYSA-N -1 3 336.355 2.944 20 5 EFBDHM O=[N+]([O-])c1cnc(Sc2ccc3c(c2)CCC3)c(-c2nnn[n-]2)c1 ZINC000823652312 599307965 /nfs/dbraw/zinc/30/79/65/599307965.db2.gz ZQNABFMJDTWPMS-UHFFFAOYSA-N -1 3 340.368 2.810 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@@H](CCO)C2CCCCC2)c(-c2nnn[n-]2)c1 ZINC000738370863 599349086 /nfs/dbraw/zinc/34/90/86/599349086.db2.gz RFNPCOOIUPMSFN-AWEZNQCLSA-N -1 3 346.391 2.518 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@@H](CCO)C2CCCCC2)c(-c2nn[n-]n2)c1 ZINC000738370863 599349089 /nfs/dbraw/zinc/34/90/89/599349089.db2.gz RFNPCOOIUPMSFN-AWEZNQCLSA-N -1 3 346.391 2.518 20 5 EFBDHM C[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820462560 599356109 /nfs/dbraw/zinc/35/61/09/599356109.db2.gz YOBCRCJNHXJWLU-QMMMGPOBSA-N -1 3 345.750 2.996 20 5 EFBDHM C[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820462560 599356111 /nfs/dbraw/zinc/35/61/11/599356111.db2.gz YOBCRCJNHXJWLU-QMMMGPOBSA-N -1 3 345.750 2.996 20 5 EFBDHM COc1cc(-c2nnn[n-]2)ccc1Oc1ncc([N+](=O)[O-])cc1Cl ZINC000737032313 599395696 /nfs/dbraw/zinc/39/56/96/599395696.db2.gz KDUCSPZHASJLOA-UHFFFAOYSA-N -1 3 348.706 2.624 20 5 EFBDHM COc1cc(-c2nn[n-]n2)ccc1Oc1ncc([N+](=O)[O-])cc1Cl ZINC000737032313 599395699 /nfs/dbraw/zinc/39/56/99/599395699.db2.gz KDUCSPZHASJLOA-UHFFFAOYSA-N -1 3 348.706 2.624 20 5 EFBDHM C[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000736139731 599406023 /nfs/dbraw/zinc/40/60/23/599406023.db2.gz XIHKYVORYJKOBV-MRVPVSSYSA-N -1 3 345.750 2.996 20 5 EFBDHM C[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000736139731 599406024 /nfs/dbraw/zinc/40/60/24/599406024.db2.gz XIHKYVORYJKOBV-MRVPVSSYSA-N -1 3 345.750 2.996 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Oc1cccc(-n2ccnc2)c1 ZINC000738360786 599527496 /nfs/dbraw/zinc/52/74/96/599527496.db2.gz YWUHKBVLFXXZOS-UHFFFAOYSA-N -1 3 349.310 2.753 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Oc1cccc(-n2ccnc2)c1 ZINC000738360786 599527498 /nfs/dbraw/zinc/52/74/98/599527498.db2.gz YWUHKBVLFXXZOS-UHFFFAOYSA-N -1 3 349.310 2.753 20 5 EFBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)C1CCCC1 ZINC000826450392 607525374 /nfs/dbraw/zinc/52/53/74/607525374.db2.gz KCQNBCFXRMMNGC-UHFFFAOYSA-N -1 3 336.739 2.557 20 5 EFBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)C1CCCC1 ZINC000826450392 607525376 /nfs/dbraw/zinc/52/53/76/607525376.db2.gz KCQNBCFXRMMNGC-UHFFFAOYSA-N -1 3 336.739 2.557 20 5 EFBDHM O=C([O-])CCN(Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000833233123 604788607 /nfs/dbraw/zinc/78/86/07/604788607.db2.gz BHUNPIBIFAEISH-GFCCVEGCSA-N -1 3 342.779 2.704 20 5 EFBDHM CC(C)(C)[C@@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)[O-] ZINC000833423383 604921514 /nfs/dbraw/zinc/92/15/14/604921514.db2.gz AGAWWIUPZWEJDS-ZDUSSCGKSA-N -1 3 333.344 2.839 20 5 EFBDHM CC(C)N(CCC(=O)[O-])Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000833498891 605042205 /nfs/dbraw/zinc/04/22/05/605042205.db2.gz YJBZDLBYOZPCFA-UHFFFAOYSA-N -1 3 340.767 2.741 20 5 EFBDHM O=[N+]([O-])c1cccc(OCCSc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823648333 606327909 /nfs/dbraw/zinc/32/79/09/606327909.db2.gz UYGLMPRKFMYFNS-UHFFFAOYSA-N -1 3 343.368 2.946 20 5 EFBDHM O=[N+]([O-])c1cccc(OCCSc2cccc(-c3nn[n-]n3)c2)c1 ZINC000823648333 606327910 /nfs/dbraw/zinc/32/79/10/606327910.db2.gz UYGLMPRKFMYFNS-UHFFFAOYSA-N -1 3 343.368 2.946 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822270891 606655898 /nfs/dbraw/zinc/65/58/98/606655898.db2.gz BQEWLTXZRGZAOX-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822270891 606655899 /nfs/dbraw/zinc/65/58/99/606655899.db2.gz BQEWLTXZRGZAOX-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM Cc1ccc2c(c1)[C@H](Nc1ccc(-c3nnn[n-]3)cc1[N+](=O)[O-])CO2 ZINC000822274591 606878593 /nfs/dbraw/zinc/87/85/93/606878593.db2.gz BZUCBIFGLOSKOZ-CYBMUJFWSA-N -1 3 338.327 2.629 20 5 EFBDHM Cc1ccc2c(c1)[C@H](Nc1ccc(-c3nn[n-]n3)cc1[N+](=O)[O-])CO2 ZINC000822274591 606878595 /nfs/dbraw/zinc/87/85/95/606878595.db2.gz BZUCBIFGLOSKOZ-CYBMUJFWSA-N -1 3 338.327 2.629 20 5 EFBDHM O=[N+]([O-])c1ccc(OCCSc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823645994 607012638 /nfs/dbraw/zinc/01/26/38/607012638.db2.gz ZEFFFHSJNYADCI-UHFFFAOYSA-N -1 3 343.368 2.946 20 5 EFBDHM O=[N+]([O-])c1ccc(OCCSc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823645994 607012640 /nfs/dbraw/zinc/01/26/40/607012640.db2.gz ZEFFFHSJNYADCI-UHFFFAOYSA-N -1 3 343.368 2.946 20 5 EFBDHM Cc1cccc(OCc2ccc(F)c(-c3nnn[n-]3)c2)c1[N+](=O)[O-] ZINC000826300258 607863279 /nfs/dbraw/zinc/86/32/79/607863279.db2.gz NRAYQLSPHSWJGC-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1cccc(OCc2ccc(F)c(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC000826300258 607863280 /nfs/dbraw/zinc/86/32/80/607863280.db2.gz NRAYQLSPHSWJGC-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1ccc(OCc2cc(F)ccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826292431 607863907 /nfs/dbraw/zinc/86/39/07/607863907.db2.gz VCHWMTVLGWWGQF-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1ccc(OCc2cc(F)ccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826292431 607863908 /nfs/dbraw/zinc/86/39/08/607863908.db2.gz VCHWMTVLGWWGQF-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM CC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1c(C)noc1C ZINC000825147957 607936506 /nfs/dbraw/zinc/93/65/06/607936506.db2.gz MZGKICURMNFJNY-GFCCVEGCSA-N -1 3 343.347 2.943 20 5 EFBDHM CC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1c(C)noc1C ZINC000825147957 607936507 /nfs/dbraw/zinc/93/65/07/607936507.db2.gz MZGKICURMNFJNY-GFCCVEGCSA-N -1 3 343.347 2.943 20 5 EFBDHM CC(C)(C)C1=CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000824071654 607966895 /nfs/dbraw/zinc/96/68/95/607966895.db2.gz LTFAJUAUVSCBJD-UHFFFAOYSA-N -1 3 328.376 2.958 20 5 EFBDHM CC(C)(C)C1=CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000824071654 607966896 /nfs/dbraw/zinc/96/68/96/607966896.db2.gz LTFAJUAUVSCBJD-UHFFFAOYSA-N -1 3 328.376 2.958 20 5 EFBDHM O=C(C=C1CCCC1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826400348 608163754 /nfs/dbraw/zinc/16/37/54/608163754.db2.gz WLSFUYRAWMIQOW-UHFFFAOYSA-N -1 3 348.750 2.867 20 5 EFBDHM O=C(C=C1CCCC1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826400348 608163755 /nfs/dbraw/zinc/16/37/55/608163755.db2.gz WLSFUYRAWMIQOW-UHFFFAOYSA-N -1 3 348.750 2.867 20 5 EFBDHM C[C@@H](OC(=O)c1sccc1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC000824730971 608182151 /nfs/dbraw/zinc/18/21/51/608182151.db2.gz RSDHSSXTNHVBSB-MRVPVSSYSA-N -1 3 345.340 2.754 20 5 EFBDHM COc1cc(-c2nnn[n-]2)ccc1CNc1cccc([N+](=O)[O-])c1C ZINC000826170521 608319645 /nfs/dbraw/zinc/31/96/45/608319645.db2.gz CVZHTBLHBXWYDN-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM COc1cc(-c2nn[n-]n2)ccc1CNc1cccc([N+](=O)[O-])c1C ZINC000826170521 608319646 /nfs/dbraw/zinc/31/96/46/608319646.db2.gz CVZHTBLHBXWYDN-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM CC(C)C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC000824243386 609170489 /nfs/dbraw/zinc/17/04/89/609170489.db2.gz FGRAJQBTRKFBFX-YPMHNXCESA-N -1 3 346.391 2.781 20 5 EFBDHM CC(C)C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO1 ZINC000824243386 609170490 /nfs/dbraw/zinc/17/04/90/609170490.db2.gz FGRAJQBTRKFBFX-YPMHNXCESA-N -1 3 346.391 2.781 20 5 EFBDHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1cccc([N+](=O)[O-])c1 ZINC000825481276 609179443 /nfs/dbraw/zinc/17/94/43/609179443.db2.gz VRHQKRZYLBJKHQ-UHFFFAOYSA-N -1 3 339.359 2.819 20 5 EFBDHM COc1cc(CNc2cccc(-c3nnn[n-]3)c2C)ccc1[N+](=O)[O-] ZINC000826179175 609440007 /nfs/dbraw/zinc/44/00/07/609440007.db2.gz CIBZZUOYLAUNOJ-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM COc1cc(CNc2cccc(-c3nn[n-]n3)c2C)ccc1[N+](=O)[O-] ZINC000826179175 609440009 /nfs/dbraw/zinc/44/00/09/609440009.db2.gz CIBZZUOYLAUNOJ-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccccc1CN(C)C ZINC000733869075 1265451613 /nfs/dbraw/zinc/45/16/13/1265451613.db2.gz SOCFEMGRGKQMQB-UHFFFAOYSA-N -1 3 349.412 2.766 20 5 EFBDHM CC1(C)Nc2ccccc2[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000725372878 1251613655 /nfs/dbraw/zinc/61/36/55/1251613655.db2.gz AWJHWQRKSDHHBA-HNNXBMFYSA-N -1 3 347.396 2.819 20 5 EFBDHM C[C@H]1CC[C@H](C(=O)NC/C=C/CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001107268270 1255485283 /nfs/dbraw/zinc/48/52/83/1255485283.db2.gz VEBOHFDAAWIYKW-JLOGXXLQSA-N -1 3 348.403 2.606 20 5 EFBDHM CCC(CC)CC(=O)NC/C=C\CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107304804 1255556126 /nfs/dbraw/zinc/55/61/26/1255556126.db2.gz XTXCUGUOFMEMKN-WAYWQWQTSA-N -1 3 336.392 2.606 20 5 EFBDHM CC1(C)CC(CC(=O)NC/C=C/CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001107483196 1255965198 /nfs/dbraw/zinc/96/51/98/1255965198.db2.gz YYPKOYXUNNJFID-ONEGZZNKSA-N -1 3 348.403 2.606 20 5 EFBDHM CC(C)CCCC(=O)NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107534557 1256070429 /nfs/dbraw/zinc/07/04/29/1256070429.db2.gz FTFOMPPCSFFOMS-ONEGZZNKSA-N -1 3 336.392 2.606 20 5 EFBDHM O=c1ccnc(C=Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[n-]1 ZINC000131732552 1261354370 /nfs/dbraw/zinc/35/43/70/1261354370.db2.gz GEWRGQFHIMOHGH-SNAWJCMRSA-N -1 3 326.337 2.972 20 5 EFBDHM CCC1(C(=O)NCCC2(CNc3cc[n-]c(=O)c3[N+](=O)[O-])CC2)CC1 ZINC001089989096 1264537067 /nfs/dbraw/zinc/53/70/67/1264537067.db2.gz KXNHVCBUICVNBQ-UHFFFAOYSA-N -1 3 348.403 2.584 20 5 EFBDHM CC(C)(C)CCN1CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000844209064 1278810388 /nfs/dbraw/zinc/81/03/88/1278810388.db2.gz ZSQMZZWQASQYCJ-UHFFFAOYSA-N -1 3 349.431 2.780 20 5 EFBDHM CN(CCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)CC1=CCCCC1 ZINC001109392548 1274228023 /nfs/dbraw/zinc/22/80/23/1274228023.db2.gz NMDBDWMWTNSODL-UHFFFAOYSA-N -1 3 348.403 2.846 20 5 EFBDHM CN(CCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C1=CCCCCC1 ZINC001109422492 1274258924 /nfs/dbraw/zinc/25/89/24/1274258924.db2.gz RPXLUJMUQQFIBX-UHFFFAOYSA-N -1 3 348.403 2.846 20 5 EFBDHM CN(CCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)CCCC1CC1 ZINC001109583709 1274447069 /nfs/dbraw/zinc/44/70/69/1274447069.db2.gz GJOJNKPHCULADE-UHFFFAOYSA-N -1 3 336.392 2.536 20 5 EFBDHM CN(CCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C12CCC(CC1)C2 ZINC001109662705 1274536720 /nfs/dbraw/zinc/53/67/20/1274536720.db2.gz VNNPDIIMBSNZOS-UHFFFAOYSA-N -1 3 348.403 2.536 20 5 EFBDHM O=C(OCCn1ccc([N+](=O)[O-])n1)c1cc2sccc2c([O-])c1 ZINC000786141132 1275309731 /nfs/dbraw/zinc/30/97/31/1275309731.db2.gz JKWJHBZGBDIMCI-UHFFFAOYSA-N -1 3 333.325 2.569 20 5 EFBDHM CSc1ccncc1[N-]C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000750118247 1275706798 /nfs/dbraw/zinc/70/67/98/1275706798.db2.gz YTWHBESBAJYKSH-UHFFFAOYSA-N -1 3 334.313 2.872 20 5 EFBDHM C[C@H]([N-]c1c([N+](=O)[O-])cccc1[N+](=O)[O-])C(=O)NCc1ccccc1 ZINC000804373329 1280175809 /nfs/dbraw/zinc/17/58/09/1280175809.db2.gz YMMNWMNTOXYOQJ-NSHDSACASA-N -1 3 344.327 2.620 20 5 EFBDHM CC(C)(C)/C=C\C(=O)NC[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001091324515 1280378530 /nfs/dbraw/zinc/37/85/30/1280378530.db2.gz XXCURGQCHRDRNZ-STNZKUDTSA-N -1 3 348.403 2.604 20 5 EFBDHM CCC(=CC(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1)CC ZINC001110119395 1281053501 /nfs/dbraw/zinc/05/35/01/1281053501.db2.gz NIPXFPUNUKJSMB-UHFFFAOYSA-N -1 3 334.376 2.503 20 5 EFBDHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1ccc[nH]1 ZINC000809827545 1282527597 /nfs/dbraw/zinc/52/75/97/1282527597.db2.gz DGEDSLDDRINOMR-SSDOTTSWSA-N -1 3 347.755 2.755 20 5 EFBDHM CC(C)C(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCCCC1 ZINC001093381590 1283847125 /nfs/dbraw/zinc/84/71/25/1283847125.db2.gz CZTAJJAKRCFPAH-UHFFFAOYSA-N -1 3 336.392 2.582 20 5 EFBDHM CC(C(=O)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-])=C1CCCC1 ZINC001094365097 1285002142 /nfs/dbraw/zinc/00/21/42/1285002142.db2.gz UDOWELCGCVWJPG-UHFFFAOYSA-N -1 3 334.376 2.504 20 5 EFBDHM Cc1ccc(C(=O)NCCCNc2cc[n-]c(=O)c2[N+](=O)[O-])c(C)c1 ZINC001094418652 1285047798 /nfs/dbraw/zinc/04/77/98/1285047798.db2.gz SKQPWGSUZGCHLD-UHFFFAOYSA-N -1 3 344.371 2.544 20 5 EFBDHM CCC1(C(=O)NCCCNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC1 ZINC001094556655 1285369403 /nfs/dbraw/zinc/36/94/03/1285369403.db2.gz DULDYPYTAIAHAT-UHFFFAOYSA-N -1 3 336.392 2.584 20 5 EFBDHM O=C(CC1CC1)NCCCCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094909835 1286130092 /nfs/dbraw/zinc/13/00/92/1286130092.db2.gz YSFRIQKWSGOXRA-UHFFFAOYSA-N -1 3 336.392 2.584 20 5 EFBDHM CC/C(C)=C\C(=O)N1CCC(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001095260864 1286805776 /nfs/dbraw/zinc/80/57/76/1286805776.db2.gz SWDGGTDLTCWUHF-BENRWUELSA-N -1 3 348.403 2.702 20 5 EFBDHM COc1cc(-c2noc(-c3cc([N+](=O)[O-])c[n-]c3=O)n2)ccc1C ZINC001212937095 1290904611 /nfs/dbraw/zinc/90/46/11/1290904611.db2.gz NHPCKPSELHMNJE-UHFFFAOYSA-N -1 3 328.284 2.729 20 5 EFBDHM Cc1cc(F)cc(-c2noc(-c3cc([N+](=O)[O-])c[n-]c3=O)n2)c1F ZINC001212937264 1290904744 /nfs/dbraw/zinc/90/47/44/1290904744.db2.gz VZFLEZBLSJBUAJ-UHFFFAOYSA-N -1 3 334.238 2.999 20 5 EFBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nc(-c2cccc3ccncc32)no1 ZINC001212937261 1290904826 /nfs/dbraw/zinc/90/48/26/1290904826.db2.gz VYAUZGGLVIVMKV-UHFFFAOYSA-N -1 3 335.279 2.961 20 5 EFBDHM O=C(CCCC1CC1)N[C@H]1C[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001114804669 1292133248 /nfs/dbraw/zinc/13/32/48/1292133248.db2.gz FPNJHERGUVVUAM-JOCQHMNTSA-N -1 3 348.403 2.582 20 5 EFBDHM COC(C[C@@H](C)Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1)OC ZINC001233500901 1312944558 /nfs/dbraw/zinc/94/45/58/1312944558.db2.gz WBCZSGIIGXEOFO-SSDOTTSWSA-N -1 3 329.740 2.901 20 5 EFBDHM CCOC(=O)CS(=O)(=O)[N-]c1ccc2nc3ccccc3cc2c1 ZINC001195974529 1294090555 /nfs/dbraw/zinc/09/05/55/1294090555.db2.gz DBPYCJRATZQOFH-UHFFFAOYSA-N -1 3 344.392 2.693 20 5 EFBDHM CCOc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc(C(=O)OC)n1 ZINC001199819564 1295740754 /nfs/dbraw/zinc/74/07/54/1295740754.db2.gz YKPALZGOYSZUKN-UHFFFAOYSA-N -1 3 333.300 2.624 20 5 EFBDHM Cc1nc(Nc2cc([O-])cc([N+](=O)[O-])c2)cnc1Br ZINC001199802716 1295759844 /nfs/dbraw/zinc/75/98/44/1295759844.db2.gz XCLDZSQANAENTA-UHFFFAOYSA-N -1 3 325.122 2.905 20 5 EFBDHM O=[N+]([O-])C[C@@H](Oc1nc2ccsc2[n-]1)c1ccc2c(c1)OCO2 ZINC001234848783 1313198192 /nfs/dbraw/zinc/19/81/92/1313198192.db2.gz UDFZMAIVZZYSSG-GFCCVEGCSA-N -1 3 333.325 2.750 20 5 EFBDHM COc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc(-n2cncn2)c1 ZINC001201229195 1296637017 /nfs/dbraw/zinc/63/70/17/1296637017.db2.gz GZJJLMPBVRIOAF-UHFFFAOYSA-N -1 3 327.300 2.633 20 5 EFBDHM O=C(c1cccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1)N1CCOCC1 ZINC001201221379 1296668345 /nfs/dbraw/zinc/66/83/45/1296668345.db2.gz ATYJZRFAEPASES-UHFFFAOYSA-N -1 3 343.339 2.516 20 5 EFBDHM CN1CCN(c2ccc(F)cc2Nc2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC001201222376 1296669837 /nfs/dbraw/zinc/66/98/37/1296669837.db2.gz MGHFXJQKLMLZSC-UHFFFAOYSA-N -1 3 346.362 2.935 20 5 EFBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccc(CN3CCOCC3)c2)c1 ZINC001201221654 1296670015 /nfs/dbraw/zinc/67/00/15/1296670015.db2.gz FBIQJKNPKADTJF-UHFFFAOYSA-N -1 3 329.356 2.876 20 5 EFBDHM O=[N+]([O-])c1ccccc1[N-]c1ncnc2c1ncn2[C@@H]1CCCO1 ZINC001206150287 1313411466 /nfs/dbraw/zinc/41/14/66/1313411466.db2.gz MFYAYUCVOJCWQZ-LBPRGKRZSA-N -1 3 326.316 2.787 20 5 EFBDHM CC(C)Oc1cccc([C@@H](O)CNc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC000853344998 1300092025 /nfs/dbraw/zinc/09/20/25/1300092025.db2.gz IYOMOBXENNPGTN-AWEZNQCLSA-N -1 3 333.344 2.628 20 5 EFBDHM C[C@@H]1CN(c2ccc(Nc3cc[n-]c(=O)c3[N+](=O)[O-])cc2)CCO1 ZINC000853354887 1300094280 /nfs/dbraw/zinc/09/42/80/1300094280.db2.gz BHAHGLWRTVKIHD-LLVKDONJSA-N -1 3 330.344 2.664 20 5 EFBDHM C[C@H](CC(=O)OCc1ccccc1)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000853458893 1300123261 /nfs/dbraw/zinc/12/32/61/1300123261.db2.gz WIRHSVFOYXMMLB-LLVKDONJSA-N -1 3 331.328 2.629 20 5 EFBDHM Cc1ccc(N2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)cc1C ZINC000853460345 1300123561 /nfs/dbraw/zinc/12/35/61/1300123561.db2.gz FCAAPHOKUOZSBA-UHFFFAOYSA-N -1 3 328.372 2.639 20 5 EFBDHM O=c1[n-]ccc(N2CC[C@@]3(C2)CCc2ccccc2O3)c1[N+](=O)[O-] ZINC000853636754 1300206415 /nfs/dbraw/zinc/20/64/15/1300206415.db2.gz IOGACFRVQNVOPE-QGZVFWFLSA-N -1 3 327.340 2.670 20 5 EFBDHM O=C([N-]OCCC1CC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000861824448 1302214870 /nfs/dbraw/zinc/21/48/70/1302214870.db2.gz UKUBRVPPPXSOLW-UHFFFAOYSA-N -1 3 329.150 2.819 20 5 EFBDHM CCC1(C(=O)N[C@H]2C[C@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)CCCC1 ZINC001097057309 1313838808 /nfs/dbraw/zinc/83/88/08/1313838808.db2.gz VQXNSOSNNLPNMK-HAQNSBGRSA-N -1 3 348.403 2.725 20 5 EFBDHM CC(C)=C(C)CC(=O)N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001097092392 1313848019 /nfs/dbraw/zinc/84/80/19/1313848019.db2.gz KCVKIVITWGYWFH-HAQNSBGRSA-N -1 3 334.376 2.501 20 5 EFBDHM CC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCN(C(=O)C2CCCC2)CC1 ZINC001067230241 1313913122 /nfs/dbraw/zinc/91/31/22/1313913122.db2.gz PDRXIFMXSQQMHY-UHFFFAOYSA-N -1 3 348.403 2.679 20 5 EFBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1ccc(Cl)nc1 ZINC000123101779 1305297001 /nfs/dbraw/zinc/29/70/01/1305297001.db2.gz SNVSYTQRZXSQRH-UHFFFAOYSA-N -1 3 327.749 2.585 20 5 EFBDHM O=C(NC[C@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])C1)c1ccccc1[O-] ZINC001046228785 1308424115 /nfs/dbraw/zinc/42/41/15/1308424115.db2.gz PSVLPEJCEVRMKI-BETUJISGSA-N -1 3 341.367 2.921 20 5 EFBDHM CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000782517857 1311367710 /nfs/dbraw/zinc/36/77/10/1311367710.db2.gz RUPNZEJKKXXDRH-QMMMGPOBSA-N -1 3 346.352 2.912 20 5 EFBDHM O=c1ncc(C(F)(F)F)c(O[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)[n-]1 ZINC001225579035 1311547294 /nfs/dbraw/zinc/54/72/94/1311547294.db2.gz JGNSZLYRFLVLML-JTQLQIEISA-N -1 3 341.245 2.655 20 5 EFBDHM C[C@H](c1ccccn1)N1CCC[C@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225664977 1311562048 /nfs/dbraw/zinc/56/20/48/1311562048.db2.gz VPRCNLAVTBUWBY-OLZOCXBDSA-N -1 3 344.371 2.695 20 5 EFBDHM C[C@H](c1ccccn1)N1CCC[C@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225664977 1311562052 /nfs/dbraw/zinc/56/20/52/1311562052.db2.gz VPRCNLAVTBUWBY-OLZOCXBDSA-N -1 3 344.371 2.695 20 5 EFBDHM C[C@H](c1ccccn1)N1CCC[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225664976 1311562077 /nfs/dbraw/zinc/56/20/77/1311562077.db2.gz VPRCNLAVTBUWBY-CHWSQXEVSA-N -1 3 344.371 2.695 20 5 EFBDHM C[C@H](c1ccccn1)N1CCC[C@@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225664976 1311562081 /nfs/dbraw/zinc/56/20/81/1311562081.db2.gz VPRCNLAVTBUWBY-CHWSQXEVSA-N -1 3 344.371 2.695 20 5 EFBDHM CCOC(=O)[C@H](C)[C@H](Oc1c([O-])cccc1[N+](=O)[O-])C(F)(F)F ZINC001226336259 1311651161 /nfs/dbraw/zinc/65/11/61/1311651161.db2.gz OVSDSIHMLYOHFP-HQJQHLMTSA-N -1 3 337.250 2.809 20 5 EFBDHM CC[N@@H+]1CC[C@@H](Oc2cc3c([O-])c4c(=O)cccc-4oc3cc2[O-])C1 ZINC001227306416 1311791757 /nfs/dbraw/zinc/79/17/57/1311791757.db2.gz JVOTXNJSMBNIBM-LLVKDONJSA-N -1 3 341.363 2.830 20 5 EFBDHM CC[N@H+]1CC[C@@H](Oc2cc3c([O-])c4c(=O)cccc-4oc3cc2[O-])C1 ZINC001227306416 1311791759 /nfs/dbraw/zinc/79/17/59/1311791759.db2.gz JVOTXNJSMBNIBM-LLVKDONJSA-N -1 3 341.363 2.830 20 5 EFBDHM CC(C)Oc1ncccc1COc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227691090 1311839852 /nfs/dbraw/zinc/83/98/52/1311839852.db2.gz MMSSRHSOCVUBAZ-UHFFFAOYSA-N -1 3 329.316 2.627 20 5 EFBDHM CCOC(=O)[C@H]1CCC[C@@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)C1 ZINC001227743511 1311848230 /nfs/dbraw/zinc/84/82/30/1311848230.db2.gz RQJOEQOWADJNAD-CMPLNLGQSA-N -1 3 333.344 2.972 20 5 EFBDHM CCOC(=O)[C@H]1CCC[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC001227743511 1311848234 /nfs/dbraw/zinc/84/82/34/1311848234.db2.gz RQJOEQOWADJNAD-CMPLNLGQSA-N -1 3 333.344 2.972 20 5 EFBDHM C[C@@H]1[C@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)CN1C(=O)OC(C)(C)C ZINC001227743858 1311848291 /nfs/dbraw/zinc/84/82/91/1311848291.db2.gz ZKPACQDZVIPOQJ-NOZJJQNGSA-N -1 3 348.359 2.858 20 5 EFBDHM C[C@@H]1[C@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)CN1C(=O)OC(C)(C)C ZINC001227743858 1311848293 /nfs/dbraw/zinc/84/82/93/1311848293.db2.gz ZKPACQDZVIPOQJ-NOZJJQNGSA-N -1 3 348.359 2.858 20 5 EFBDHM COC(=O)[C@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)c1ccccc1F ZINC001227746304 1311849539 /nfs/dbraw/zinc/84/95/39/1311849539.db2.gz RCQIVFRLOUTPSW-CQSZACIVSA-N -1 3 345.286 2.903 20 5 EFBDHM COC(=O)[C@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)c1ccccc1F ZINC001227746304 1311849543 /nfs/dbraw/zinc/84/95/43/1311849543.db2.gz RCQIVFRLOUTPSW-CQSZACIVSA-N -1 3 345.286 2.903 20 5 EFBDHM Cc1cc2[n-]c(OC3CN(C(=O)OC(C)(C)C)C3)nc2cc1[N+](=O)[O-] ZINC001228671524 1311979500 /nfs/dbraw/zinc/97/95/00/1311979500.db2.gz IPRXZQBRAKRSMA-UHFFFAOYSA-N -1 3 348.359 2.778 20 5 EFBDHM COC(=O)[C@@H]1CCC[C@@H](Oc2nc3cc([N+](=O)[O-])c(C)cc3[n-]2)C1 ZINC001228674172 1311980117 /nfs/dbraw/zinc/98/01/17/1311980117.db2.gz IMXSNWFVHBKMLL-GHMZBOCLSA-N -1 3 333.344 2.890 20 5 EFBDHM CCOC(=O)N1CCC[C@@H](Oc2nc3cc([N+](=O)[O-])c(C)cc3[n-]2)C1 ZINC001228674615 1311980297 /nfs/dbraw/zinc/98/02/97/1311980297.db2.gz KCWJVHHEYPGQGX-LLVKDONJSA-N -1 3 348.359 2.779 20 5 EFBDHM Cc1[n-]c(=O)cc(O[C@@H](CC(C)C)C(=O)OC(C)C)c1[N+](=O)[O-] ZINC001228685746 1311981953 /nfs/dbraw/zinc/98/19/53/1311981953.db2.gz JZHAOFSJYLPNCZ-LBPRGKRZSA-N -1 3 326.349 2.749 20 5 EFBDHM C[C@H](N)c1nc2ccccc2n1-c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001162778510 1312173642 /nfs/dbraw/zinc/17/36/42/1312173642.db2.gz LETXWQQQGPFPFX-VIFPVBQESA-N -1 3 326.312 2.652 20 5 EFBDHM O=c1[nH][n-]cc1CCCNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001164374178 1312503236 /nfs/dbraw/zinc/50/32/36/1312503236.db2.gz JUYBJXICVWWMEL-QMMMGPOBSA-N -1 3 330.266 2.538 20 5 EFBDHM CCOc1cccc(-c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)c1[O-] ZINC001216959476 1315025835 /nfs/dbraw/zinc/02/58/35/1315025835.db2.gz RAJKVRQRAHKWOH-UHFFFAOYSA-N -1 3 346.274 2.950 20 5 EFBDHM Cc1cc(F)c(-c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)cc1[O-] ZINC001217036500 1315031743 /nfs/dbraw/zinc/03/17/43/1315031743.db2.gz YXWCAFXYIQCJQC-UHFFFAOYSA-N -1 3 334.238 2.999 20 5 EFBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nnc(CCCc2ccccc2)o1 ZINC001257798639 1316093799 /nfs/dbraw/zinc/09/37/99/1316093799.db2.gz CQEZZZNKZWCRTJ-UHFFFAOYSA-N -1 3 326.312 2.921 20 5 EFBDHM C[C@H](CCNc1cc[n-]c(=O)c1[N+](=O)[O-])N(C)C(=O)OC(C)(C)C ZINC001327648413 1330504120 /nfs/dbraw/zinc/50/41/20/1330504120.db2.gz LTQYHJMSQQOQAD-SNVBAGLBSA-N -1 3 340.380 2.753 20 5 EFBDHM CCOC(=O)c1ncc(C(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)s1 ZINC001327649381 1330504464 /nfs/dbraw/zinc/50/44/64/1330504464.db2.gz CNXFDIMGQVBGKL-UHFFFAOYSA-N -1 3 339.304 2.619 20 5 EFBDHM O=C([O-])[C@@H](CC(F)(F)F)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001331931456 1330892693 /nfs/dbraw/zinc/89/26/93/1330892693.db2.gz GKNXUWVAKVCHAO-MRVPVSSYSA-N -1 3 326.658 2.743 20 5 EFBDHM Cc1cc(=O)[n-]c(N2CCC[C@@H](Nc3ccc(F)cc3[N+](=O)[O-])C2)n1 ZINC001332028242 1330906850 /nfs/dbraw/zinc/90/68/50/1330906850.db2.gz CWMCNORKBIYUPV-GFCCVEGCSA-N -1 3 347.350 2.619 20 5 EFBDHM Cc1c([C@@H](C)NCc2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC000822020767 1424034275 /nfs/dbraw/zinc/03/42/75/1424034275.db2.gz IMNJCDLEFOXCCL-GFCCVEGCSA-N -1 3 338.371 2.934 20 5 EFBDHM Cc1c([C@@H](C)NCc2ccc(-c3nnn[n-]3)cc2)cccc1[N+](=O)[O-] ZINC000822020767 1424034281 /nfs/dbraw/zinc/03/42/81/1424034281.db2.gz IMNJCDLEFOXCCL-GFCCVEGCSA-N -1 3 338.371 2.934 20 5 EFBDHM C[C@H](NCc1ccc(F)cc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC000824617637 1446299496 /nfs/dbraw/zinc/29/94/96/1446299496.db2.gz IXKBFSOSHOYEIW-JTQLQIEISA-N -1 3 342.334 2.765 20 5 EFBDHM C[C@H](NCc1ccc(F)cc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000824617637 1446299499 /nfs/dbraw/zinc/29/94/99/1446299499.db2.gz IXKBFSOSHOYEIW-JTQLQIEISA-N -1 3 342.334 2.765 20 5 EFBDHM CC(C)(NCc1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000819991346 1450073779 /nfs/dbraw/zinc/07/37/79/1450073779.db2.gz FOVUSRKIKZUWKP-UHFFFAOYSA-N -1 3 338.371 2.800 20 5 EFBDHM CC(C)(NCc1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000819991346 1450073785 /nfs/dbraw/zinc/07/37/85/1450073785.db2.gz FOVUSRKIKZUWKP-UHFFFAOYSA-N -1 3 338.371 2.800 20 5 EFBDHM COc1c([O-])ccc(CN2CCOC[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000892121644 715263288 /nfs/dbraw/zinc/26/32/88/715263288.db2.gz UVPNUJJDWGFLDC-HNNXBMFYSA-N -1 3 344.367 2.883 20 5 EFBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(N(C)C)cc1 ZINC000073289228 721166827 /nfs/dbraw/zinc/16/68/27/721166827.db2.gz YQPSJWNXIPBGMZ-UHFFFAOYSA-N -1 3 335.385 2.770 20 5 EFBDHM O=C(N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1)C1CCC=CCC1 ZINC001059651626 724894452 /nfs/dbraw/zinc/89/44/52/724894452.db2.gz MYZBRCHTGNRCFI-BETUJISGSA-N -1 3 346.387 2.501 20 5 EFBDHM C[C@H]1CC[C@H](C(=O)N[C@H]2C[C@@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)CC1 ZINC001059685878 725023039 /nfs/dbraw/zinc/02/30/39/725023039.db2.gz CMVHBOQFUVYJLV-ROTMJFINSA-N -1 3 348.403 2.581 20 5 EFBDHM CC1(C(=O)N[C@H]2C[C@@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)CCCCC1 ZINC001059809325 725754142 /nfs/dbraw/zinc/75/41/42/725754142.db2.gz LRVVSLDZQFNOSB-TXEJJXNPSA-N -1 3 348.403 2.725 20 5 EFBDHM CC(=O)c1cccc(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c1 ZINC001573555496 946911129 /nfs/dbraw/zinc/91/11/29/946911129.db2.gz NSBITNWIAGMEMA-UHFFFAOYSA-N -1 3 338.327 2.590 20 5 EFBDHM CC(=O)c1cccc(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c1 ZINC001573555496 946911140 /nfs/dbraw/zinc/91/11/40/946911140.db2.gz NSBITNWIAGMEMA-UHFFFAOYSA-N -1 3 338.327 2.590 20 5 EFBDHM Cc1ccncc1[C@H](C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826315849 947922644 /nfs/dbraw/zinc/92/26/44/947922644.db2.gz WNMJEQWCWSCBMB-JTQLQIEISA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1ccncc1[C@H](C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826315849 947922653 /nfs/dbraw/zinc/92/26/53/947922653.db2.gz WNMJEQWCWSCBMB-JTQLQIEISA-N -1 3 325.332 2.651 20 5 EFBDHM CC(C)C1CCC(Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001574089606 948963649 /nfs/dbraw/zinc/96/36/49/948963649.db2.gz ILSXNWFQVRBKMO-UHFFFAOYSA-N -1 3 331.380 2.797 20 5 EFBDHM CC(C)C1CCC(Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001574089606 948963662 /nfs/dbraw/zinc/96/36/62/948963662.db2.gz ILSXNWFQVRBKMO-UHFFFAOYSA-N -1 3 331.380 2.797 20 5 EFBDHM CC(C)(C)c1coc(Sc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])n1 ZINC001573884637 950803164 /nfs/dbraw/zinc/80/31/64/950803164.db2.gz NYMUGZIAUDNSEW-UHFFFAOYSA-N -1 3 347.360 2.607 20 5 EFBDHM CC(C)(C)c1coc(Sc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC001573884637 950803177 /nfs/dbraw/zinc/80/31/77/950803177.db2.gz NYMUGZIAUDNSEW-UHFFFAOYSA-N -1 3 347.360 2.607 20 5 EFBDHM CC(C)[C@H](NCc1cccc([N+](=O)[O-])c1Br)C(=O)[O-] ZINC000232750976 960295135 /nfs/dbraw/zinc/29/51/35/960295135.db2.gz MVRZYQKZEFBMID-NSHDSACASA-N -1 3 331.166 2.556 20 5 EFBDHM COc1ccc(CN[C@@](C)(C(=O)[O-])c2ccccc2)cc1[N+](=O)[O-] ZINC001334011179 961741783 /nfs/dbraw/zinc/74/17/83/961741783.db2.gz WOJAGNAAISHWCJ-QGZVFWFLSA-N -1 3 330.340 2.693 20 5 EFBDHM COc1ccc(CN[C@](C)(C(=O)[O-])c2ccccc2)cc1[N+](=O)[O-] ZINC001334011178 961741863 /nfs/dbraw/zinc/74/18/63/961741863.db2.gz WOJAGNAAISHWCJ-KRWDZBQOSA-N -1 3 330.340 2.693 20 5 EFBDHM CC(C)O[C@H]1C[C@H](NCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1(C)C ZINC001591696359 975533831 /nfs/dbraw/zinc/53/38/31/975533831.db2.gz RLCCTJIMIQSPBA-GJZGRUSLSA-N -1 3 336.388 2.975 20 5 EFBDHM CC(C)[C@@H](NCc1cc([N+](=O)[O-])ccc1Br)C(=O)[O-] ZINC001591843756 976116800 /nfs/dbraw/zinc/11/68/00/976116800.db2.gz CIFQJQBBFPWPAZ-LLVKDONJSA-N -1 3 331.166 2.556 20 5 EFBDHM O=C([O-])Cc1ccc(N2CCN(C3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000844206729 979353639 /nfs/dbraw/zinc/35/36/39/979353639.db2.gz QVSXUUWPFCTYGG-UHFFFAOYSA-N -1 3 347.415 2.677 20 5 EFBDHM CC(COC(=O)c1ccccc1-c1ccccc1C(=O)[O-])[N+](=O)[O-] ZINC001592772544 979392035 /nfs/dbraw/zinc/39/20/35/979392035.db2.gz QGBCEOZWYPDDHL-LLVKDONJSA-N -1 3 329.308 2.874 20 5 EFBDHM CC[C@@H](C)N[C@@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])c1ccco1 ZINC001594994379 982874440 /nfs/dbraw/zinc/87/44/40/982874440.db2.gz LTOLCCCVSMPSCU-PWSUYJOCSA-N -1 3 348.359 2.822 20 5 EFBDHM CC[C@@H](C)N[C@@H](CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccco1 ZINC001594994712 982881052 /nfs/dbraw/zinc/88/10/52/982881052.db2.gz PSWQOWXUTHEVND-PWSUYJOCSA-N -1 3 348.359 2.822 20 5 EFBDHM CCc1oc(CNCCOc2ccc([N+](=O)[O-])cc2)cc1C(=O)[O-] ZINC001597805884 989416433 /nfs/dbraw/zinc/41/64/33/989416433.db2.gz QFQADJXDTKFDHV-UHFFFAOYSA-N -1 3 334.328 2.617 20 5 EFBDHM CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](COC1CCC1)C(=O)[O-] ZINC001598517964 992641429 /nfs/dbraw/zinc/64/14/29/992641429.db2.gz MJFIVWWDEHPPIW-AWEZNQCLSA-N -1 3 342.779 2.702 20 5 EFBDHM COc1cccc(C[C@H](NCc2ccc([N+](=O)[O-])cc2F)C(=O)[O-])c1 ZINC001599669450 994784756 /nfs/dbraw/zinc/78/47/56/994784756.db2.gz GDVWARWHSLFRQF-INIZCTEOSA-N -1 3 348.330 2.528 20 5 EFBDHM C[C@]1(NCc2c(F)cc([N+](=O)[O-])cc2F)CCCC[C@@H]1C(=O)[O-] ZINC001594060588 997835578 /nfs/dbraw/zinc/83/55/78/997835578.db2.gz QOXMIXPSJPHQTK-ABAIWWIYSA-N -1 3 328.315 2.996 20 5 EFBDHM C[C@@]1(NCc2c(F)cc([N+](=O)[O-])cc2F)CCCC[C@H]1C(=O)[O-] ZINC001594060591 997837455 /nfs/dbraw/zinc/83/74/55/997837455.db2.gz QOXMIXPSJPHQTK-XHDPSFHLSA-N -1 3 328.315 2.996 20 5 EFBDHM COc1ccc(CN[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1 ZINC001599571055 998366258 /nfs/dbraw/zinc/36/62/58/998366258.db2.gz IOJQUWIUMFAJIS-KRWDZBQOSA-N -1 3 330.340 2.693 20 5 EFBDHM CC(C)(C)[C@H](NCc1c(Br)cccc1[N+](=O)[O-])C(=O)[O-] ZINC001573817939 1087899843 /nfs/dbraw/zinc/89/98/43/1087899843.db2.gz YYUWTERTVJCHDA-LLVKDONJSA-N -1 3 345.193 2.946 20 5 EFBDHM C[C@@H]1c2sccc2CCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001576398905 1089190657 /nfs/dbraw/zinc/19/06/57/1089190657.db2.gz RAGWGKFALWBBCT-SECBINFHSA-N -1 3 342.384 2.960 20 5 EFBDHM C[C@@H]1c2sccc2CCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001576398905 1089190665 /nfs/dbraw/zinc/19/06/65/1089190665.db2.gz RAGWGKFALWBBCT-SECBINFHSA-N -1 3 342.384 2.960 20 5 EFBDHM CN(Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccccc1F ZINC001579251404 1090561999 /nfs/dbraw/zinc/56/19/99/1090561999.db2.gz JYKIPQIHKQUHHM-UHFFFAOYSA-N -1 3 328.307 2.550 20 5 EFBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccccc1F ZINC001579251404 1090562002 /nfs/dbraw/zinc/56/20/02/1090562002.db2.gz JYKIPQIHKQUHHM-UHFFFAOYSA-N -1 3 328.307 2.550 20 5 EFBDHM COc1cc(OCc2ccc(F)cc2[N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001579937245 1090727282 /nfs/dbraw/zinc/72/72/82/1090727282.db2.gz GTQFMUCKBQMDRL-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1cc(OCc2ccc(F)cc2[N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001579937245 1090727284 /nfs/dbraw/zinc/72/72/84/1090727284.db2.gz GTQFMUCKBQMDRL-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1ccc(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c(F)c1 ZINC001580029953 1090746366 /nfs/dbraw/zinc/74/63/66/1090746366.db2.gz BROHBALJLXZABG-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM COc1ccc(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c(F)c1 ZINC001580029953 1090746368 /nfs/dbraw/zinc/74/63/68/1090746368.db2.gz BROHBALJLXZABG-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM Cc1cc(NC[C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001581021717 1091061752 /nfs/dbraw/zinc/06/17/52/1091061752.db2.gz RLEJRDSCNYWDJL-VGDYDELISA-N -1 3 328.376 2.787 20 5 EFBDHM Cc1cc(NC[C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001581021717 1091061758 /nfs/dbraw/zinc/06/17/58/1091061758.db2.gz RLEJRDSCNYWDJL-VGDYDELISA-N -1 3 328.376 2.787 20 5 EFBDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC001581134597 1091079549 /nfs/dbraw/zinc/07/95/49/1091079549.db2.gz XYQBPZVVCNIYTH-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC001581134597 1091079557 /nfs/dbraw/zinc/07/95/57/1091079557.db2.gz XYQBPZVVCNIYTH-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM Cc1ccnc(N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1-c1nnn[n-]1 ZINC001581280777 1091112132 /nfs/dbraw/zinc/11/21/32/1091112132.db2.gz HZRQLBZSJWZKCL-JTQLQIEISA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1ccnc(N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1-c1nn[n-]n1 ZINC001581280777 1091112134 /nfs/dbraw/zinc/11/21/34/1091112134.db2.gz HZRQLBZSJWZKCL-JTQLQIEISA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1csc(CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001581386047 1091136276 /nfs/dbraw/zinc/13/62/76/1091136276.db2.gz SCHGDIAHSRVBCQ-UHFFFAOYSA-N -1 3 334.336 2.896 20 5 EFBDHM Cc1csc(CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001581386047 1091136282 /nfs/dbraw/zinc/13/62/82/1091136282.db2.gz SCHGDIAHSRVBCQ-UHFFFAOYSA-N -1 3 334.336 2.896 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1Nc1cnn(C2CCCC2)c1 ZINC001582804479 1091670521 /nfs/dbraw/zinc/67/05/21/1091670521.db2.gz UMIGCLURCJFRHD-UHFFFAOYSA-N -1 3 340.347 2.830 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1Nc1cnn(C2CCCC2)c1 ZINC001582804479 1091670525 /nfs/dbraw/zinc/67/05/25/1091670525.db2.gz UMIGCLURCJFRHD-UHFFFAOYSA-N -1 3 340.347 2.830 20 5 EFBDHM CC1(CC(=O)NCC2(Nc3cc[n-]c(=O)c3[N+](=O)[O-])CCCC2)CC1 ZINC001104415801 1092849963 /nfs/dbraw/zinc/84/99/63/1092849963.db2.gz JBLMSVJPFHSHDI-UHFFFAOYSA-N -1 3 348.403 2.727 20 5 EFBDHM CC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001588917725 1093011368 /nfs/dbraw/zinc/01/13/68/1093011368.db2.gz ZBMYSVVVYBLEJQ-UHFFFAOYSA-N -1 3 325.284 2.770 20 5 EFBDHM CC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001588917725 1093011373 /nfs/dbraw/zinc/01/13/73/1093011373.db2.gz ZBMYSVVVYBLEJQ-UHFFFAOYSA-N -1 3 325.284 2.770 20 5 EFBDHM CC(C)(C)C(C)(C)C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589086289 1093026823 /nfs/dbraw/zinc/02/68/23/1093026823.db2.gz WVJUMPGNULWZNC-UHFFFAOYSA-N -1 3 347.375 2.890 20 5 EFBDHM CC(C)(C)C(C)(C)C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589086289 1093026828 /nfs/dbraw/zinc/02/68/28/1093026828.db2.gz WVJUMPGNULWZNC-UHFFFAOYSA-N -1 3 347.375 2.890 20 5 EFBDHM CC(C)(C)n1cc(Nc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])cn1 ZINC001589260372 1093060870 /nfs/dbraw/zinc/06/08/70/1093060870.db2.gz KBFXEXOWGZFPPH-UHFFFAOYSA-N -1 3 346.326 2.609 20 5 EFBDHM CC(C)(C)n1cc(Nc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])cn1 ZINC001589260372 1093060879 /nfs/dbraw/zinc/06/08/79/1093060879.db2.gz KBFXEXOWGZFPPH-UHFFFAOYSA-N -1 3 346.326 2.609 20 5 EFBDHM CC(C)(CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)CC(F)F ZINC001589293449 1093068154 /nfs/dbraw/zinc/06/81/54/1093068154.db2.gz ZSDUMCNLRLNWMM-UHFFFAOYSA-N -1 3 326.307 2.868 20 5 EFBDHM CC(C)C[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CCO1 ZINC001589571227 1093108601 /nfs/dbraw/zinc/10/86/01/1093108601.db2.gz GZYNXTCZSGHYQM-OLZOCXBDSA-N -1 3 346.391 2.781 20 5 EFBDHM CC(C)O[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1(C)C ZINC001589738981 1093130850 /nfs/dbraw/zinc/13/08/50/1093130850.db2.gz BDKUFFKTBHNZLZ-ZIAGYGMSSA-N -1 3 346.391 2.779 20 5 EFBDHM C[C@H](CCc1ccco1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001589837085 1093157790 /nfs/dbraw/zinc/15/77/90/1093157790.db2.gz UAAYSKBZZCLSOZ-SNVBAGLBSA-N -1 3 328.332 2.801 20 5 EFBDHM C[C@H](CCc1ccco1)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001589837085 1093157794 /nfs/dbraw/zinc/15/77/94/1093157794.db2.gz UAAYSKBZZCLSOZ-SNVBAGLBSA-N -1 3 328.332 2.801 20 5 EFBDHM C[C@@H](Cc1ccccc1F)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589900145 1093173184 /nfs/dbraw/zinc/17/31/84/1093173184.db2.gz VIABFVXMWZEVBW-JTQLQIEISA-N -1 3 342.334 2.957 20 5 EFBDHM C[C@@H](Cc1ccccc1F)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589900145 1093173189 /nfs/dbraw/zinc/17/31/89/1093173189.db2.gz VIABFVXMWZEVBW-JTQLQIEISA-N -1 3 342.334 2.957 20 5 EFBDHM C[C@H](Cc1ccsc1)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589902588 1093174534 /nfs/dbraw/zinc/17/45/34/1093174534.db2.gz PTFJSLQWGGYUOW-SECBINFHSA-N -1 3 330.373 2.880 20 5 EFBDHM C[C@H](Cc1ccsc1)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589902588 1093174538 /nfs/dbraw/zinc/17/45/38/1093174538.db2.gz PTFJSLQWGGYUOW-SECBINFHSA-N -1 3 330.373 2.880 20 5 EFBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1c(F)cncc1F ZINC001589981738 1093209230 /nfs/dbraw/zinc/20/92/30/1093209230.db2.gz KELCHGWIYQGPTK-SSDOTTSWSA-N -1 3 347.285 2.621 20 5 EFBDHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1c(F)cncc1F ZINC001589981738 1093209237 /nfs/dbraw/zinc/20/92/37/1093209237.db2.gz KELCHGWIYQGPTK-SSDOTTSWSA-N -1 3 347.285 2.621 20 5 EFBDHM CC1(C)C[C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C(C)(C)O1 ZINC001590079819 1093253484 /nfs/dbraw/zinc/25/34/84/1093253484.db2.gz KINMKXRIZKAKHX-JTQLQIEISA-N -1 3 346.391 2.781 20 5 EFBDHM CC1(C)C[C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C(C)(C)O1 ZINC001590079819 1093253492 /nfs/dbraw/zinc/25/34/92/1093253492.db2.gz KINMKXRIZKAKHX-JTQLQIEISA-N -1 3 346.391 2.781 20 5 EFBDHM CC1(C)CC(CC(=O)OCc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590081929 1093255040 /nfs/dbraw/zinc/25/50/40/1093255040.db2.gz ONPHRFQGPNOISW-UHFFFAOYSA-N -1 3 345.359 2.644 20 5 EFBDHM CC1(C)CC(CC(=O)OCc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590081929 1093255045 /nfs/dbraw/zinc/25/50/45/1093255045.db2.gz ONPHRFQGPNOISW-UHFFFAOYSA-N -1 3 345.359 2.644 20 5 EFBDHM CC1(C)C[C@H](Sc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])CO1 ZINC001590084330 1093257562 /nfs/dbraw/zinc/25/75/62/1093257562.db2.gz BSUQJQSSGOJMIX-ZETCQYMHSA-N -1 3 339.352 2.574 20 5 EFBDHM CC1(C)CC[C@@H](CCNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])OC1 ZINC001590089206 1093259126 /nfs/dbraw/zinc/25/91/26/1093259126.db2.gz JXKDSXDPZBFKEU-LBPRGKRZSA-N -1 3 346.391 2.782 20 5 EFBDHM CC1(C)CC[C@@H](CCNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])OC1 ZINC001590089206 1093259130 /nfs/dbraw/zinc/25/91/30/1093259130.db2.gz JXKDSXDPZBFKEU-LBPRGKRZSA-N -1 3 346.391 2.782 20 5 EFBDHM CC1(C)CCCN1c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001590097695 1093267334 /nfs/dbraw/zinc/26/73/34/1093267334.db2.gz YWLCPDZZUMVRLP-UHFFFAOYSA-N -1 3 339.359 2.702 20 5 EFBDHM CC1(C)CCCN1c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001590097695 1093267342 /nfs/dbraw/zinc/26/73/42/1093267342.db2.gz YWLCPDZZUMVRLP-UHFFFAOYSA-N -1 3 339.359 2.702 20 5 EFBDHM CC1(CCNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC001590126289 1093275500 /nfs/dbraw/zinc/27/55/00/1093275500.db2.gz BGEJHJRTDWLBQH-UHFFFAOYSA-N -1 3 339.359 2.925 20 5 EFBDHM CC1(CCNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC001590126289 1093275510 /nfs/dbraw/zinc/27/55/10/1093275510.db2.gz BGEJHJRTDWLBQH-UHFFFAOYSA-N -1 3 339.359 2.925 20 5 EFBDHM CC1(C2CC2)CCN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001590122193 1093275627 /nfs/dbraw/zinc/27/56/27/1093275627.db2.gz PWTDUOIRUJFWAW-UHFFFAOYSA-N -1 3 328.376 2.791 20 5 EFBDHM CC1(C2CC2)CCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1 ZINC001590122193 1093275631 /nfs/dbraw/zinc/27/56/31/1093275631.db2.gz PWTDUOIRUJFWAW-UHFFFAOYSA-N -1 3 328.376 2.791 20 5 EFBDHM C[C@@H]1CC(CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC001590186260 1093296118 /nfs/dbraw/zinc/29/61/18/1093296118.db2.gz BEXWRYFNQCEJBF-UWVGGRQHSA-N -1 3 331.380 2.654 20 5 EFBDHM C[C@@H]1CC(CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC001590186260 1093296126 /nfs/dbraw/zinc/29/61/26/1093296126.db2.gz BEXWRYFNQCEJBF-UWVGGRQHSA-N -1 3 331.380 2.654 20 5 EFBDHM C[C@H]1CC(CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H](C)C1 ZINC001590186257 1093297328 /nfs/dbraw/zinc/29/73/28/1093297328.db2.gz BEXWRYFNQCEJBF-NXEZZACHSA-N -1 3 331.380 2.654 20 5 EFBDHM C[C@H]1CC(CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H](C)C1 ZINC001590186257 1093297332 /nfs/dbraw/zinc/29/73/32/1093297332.db2.gz BEXWRYFNQCEJBF-NXEZZACHSA-N -1 3 331.380 2.654 20 5 EFBDHM C[C@@H]1CCCC[C@@H]1CCNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001590250510 1093339128 /nfs/dbraw/zinc/33/91/28/1093339128.db2.gz FKJSLGJGKRWDKO-GHMZBOCLSA-N -1 3 345.407 2.985 20 5 EFBDHM C[C@@H]1CCCC[C@@H]1CCNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001590250510 1093339134 /nfs/dbraw/zinc/33/91/34/1093339134.db2.gz FKJSLGJGKRWDKO-GHMZBOCLSA-N -1 3 345.407 2.985 20 5 EFBDHM C[C@H]1CCN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])CC12CCC2 ZINC001590277022 1093358220 /nfs/dbraw/zinc/35/82/20/1093358220.db2.gz SVEVRJKHDHTDHC-JTQLQIEISA-N -1 3 346.366 2.931 20 5 EFBDHM C[C@H]1CCN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])CC12CCC2 ZINC001590277022 1093358229 /nfs/dbraw/zinc/35/82/29/1093358229.db2.gz SVEVRJKHDHTDHC-JTQLQIEISA-N -1 3 346.366 2.931 20 5 EFBDHM CC[C@H](C)n1ncc(Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)c1C ZINC001590418202 1093413053 /nfs/dbraw/zinc/41/30/53/1093413053.db2.gz JBJVAXDYVXZSRR-VIFPVBQESA-N -1 3 342.363 2.994 20 5 EFBDHM CC[C@@H](C)n1ncc(Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)c1C ZINC001590418200 1093414274 /nfs/dbraw/zinc/41/42/74/1093414274.db2.gz JBJVAXDYVXZSRR-SECBINFHSA-N -1 3 342.363 2.994 20 5 EFBDHM CCCC(O)(CCC)CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590558515 1093486715 /nfs/dbraw/zinc/48/67/15/1093486715.db2.gz DKEWCDJRCSPKHP-UHFFFAOYSA-N -1 3 334.380 2.518 20 5 EFBDHM CCO[C@@H](CCNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1)C(C)C ZINC001590784079 1093568395 /nfs/dbraw/zinc/56/83/95/1093568395.db2.gz MEHKBKZLLWTNOD-HNNXBMFYSA-N -1 3 348.407 2.946 20 5 EFBDHM CCO[C@@H](CCNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1)C(C)C ZINC001590784079 1093568404 /nfs/dbraw/zinc/56/84/04/1093568404.db2.gz MEHKBKZLLWTNOD-HNNXBMFYSA-N -1 3 348.407 2.946 20 5 EFBDHM CCO[C@@H]1C[C@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C12CCC2 ZINC001590793980 1093574496 /nfs/dbraw/zinc/57/44/96/1093574496.db2.gz SSXZLBXIRCBLIM-UONOGXRCSA-N -1 3 344.375 2.535 20 5 EFBDHM CCO[C@@H]1C[C@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C12CCC2 ZINC001590793980 1093574503 /nfs/dbraw/zinc/57/45/03/1093574503.db2.gz SSXZLBXIRCBLIM-UONOGXRCSA-N -1 3 344.375 2.535 20 5 EFBDHM CCOc1cccc(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c1 ZINC001590841076 1093595280 /nfs/dbraw/zinc/59/52/80/1093595280.db2.gz DSDGEGFMLCYBMT-UHFFFAOYSA-N -1 3 340.343 2.786 20 5 EFBDHM CCOc1cccc(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c1 ZINC001590841076 1093595286 /nfs/dbraw/zinc/59/52/86/1093595286.db2.gz DSDGEGFMLCYBMT-UHFFFAOYSA-N -1 3 340.343 2.786 20 5 EFBDHM CCc1ccc(Oc2nc(C)ccc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590891469 1093620342 /nfs/dbraw/zinc/62/03/42/1093620342.db2.gz HJNHAUIPKVWYIN-UHFFFAOYSA-N -1 3 326.316 2.833 20 5 EFBDHM CCc1ccc(Oc2nc(C)ccc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001590891469 1093620345 /nfs/dbraw/zinc/62/03/45/1093620345.db2.gz HJNHAUIPKVWYIN-UHFFFAOYSA-N -1 3 326.316 2.833 20 5 EFBDHM CN(CCC1CCCCC1)c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591065555 1093658511 /nfs/dbraw/zinc/65/85/11/1093658511.db2.gz SHUDXQCSJLPVIX-UHFFFAOYSA-N -1 3 331.380 2.577 20 5 EFBDHM CN(CCC1CCCCC1)c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591065555 1093658514 /nfs/dbraw/zinc/65/85/14/1093658514.db2.gz SHUDXQCSJLPVIX-UHFFFAOYSA-N -1 3 331.380 2.577 20 5 EFBDHM CN(CCCc1ccccc1)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001591086517 1093660894 /nfs/dbraw/zinc/66/08/94/1093660894.db2.gz KYUPEDKFYSOSDB-UHFFFAOYSA-N -1 3 338.371 2.844 20 5 EFBDHM CN(Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1c(F)cccc1F ZINC001591136687 1093670415 /nfs/dbraw/zinc/67/04/15/1093670415.db2.gz IVTHMTFLGAHUDT-UHFFFAOYSA-N -1 3 346.297 2.690 20 5 EFBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1c(F)cccc1F ZINC001591136687 1093670419 /nfs/dbraw/zinc/67/04/19/1093670419.db2.gz IVTHMTFLGAHUDT-UHFFFAOYSA-N -1 3 346.297 2.690 20 5 EFBDHM CN(Cc1ccc(F)cc1F)c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591140556 1093670727 /nfs/dbraw/zinc/67/07/27/1093670727.db2.gz ZSULSLMKCCAJPM-UHFFFAOYSA-N -1 3 346.297 2.690 20 5 EFBDHM CN(Cc1ccc(F)cc1F)c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591140556 1093670730 /nfs/dbraw/zinc/67/07/30/1093670730.db2.gz ZSULSLMKCCAJPM-UHFFFAOYSA-N -1 3 346.297 2.690 20 5 EFBDHM COC1(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CCCCCC1 ZINC001591343518 1093699829 /nfs/dbraw/zinc/69/98/29/1093699829.db2.gz YBEOEGOMWZPXHH-UHFFFAOYSA-N -1 3 346.391 2.926 20 5 EFBDHM COC1(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CCCCCC1 ZINC001591343518 1093699832 /nfs/dbraw/zinc/69/98/32/1093699832.db2.gz YBEOEGOMWZPXHH-UHFFFAOYSA-N -1 3 346.391 2.926 20 5 EFBDHM COCc1ccc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC001591456225 1093725203 /nfs/dbraw/zinc/72/52/03/1093725203.db2.gz KDALTERMEASWKK-UHFFFAOYSA-N -1 3 340.343 2.533 20 5 EFBDHM COCc1ccc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC001591456225 1093725210 /nfs/dbraw/zinc/72/52/10/1093725210.db2.gz KDALTERMEASWKK-UHFFFAOYSA-N -1 3 340.343 2.533 20 5 EFBDHM COc1cc(Oc2ncc(-c3nnn[n-]3)cc2Cl)ccc1[N+](=O)[O-] ZINC001591555044 1093766911 /nfs/dbraw/zinc/76/69/11/1093766911.db2.gz QOTOJEVJFIWMBB-UHFFFAOYSA-N -1 3 348.706 2.624 20 5 EFBDHM COc1cc(Oc2ncc(-c3nn[n-]n3)cc2Cl)ccc1[N+](=O)[O-] ZINC001591555044 1093766920 /nfs/dbraw/zinc/76/69/20/1093766920.db2.gz QOTOJEVJFIWMBB-UHFFFAOYSA-N -1 3 348.706 2.624 20 5 EFBDHM COc1ccc(NCc2ccc(C)c([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC001591618067 1093801320 /nfs/dbraw/zinc/80/13/20/1093801320.db2.gz KJZTZUFEDKKPOC-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM COc1ccc(NCc2ccc(C)c([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC001591618067 1093801322 /nfs/dbraw/zinc/80/13/22/1093801322.db2.gz KJZTZUFEDKKPOC-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM Cc1cc(-c2nnn[n-]2)ccc1COc1ccc([N+](=O)[O-])c(C)c1 ZINC001591868109 1093903500 /nfs/dbraw/zinc/90/35/00/1093903500.db2.gz XVIZOEQZGOEOGI-UHFFFAOYSA-N -1 3 325.328 2.971 20 5 EFBDHM Cc1cc(-c2nn[n-]n2)ccc1COc1ccc([N+](=O)[O-])c(C)c1 ZINC001591868109 1093903505 /nfs/dbraw/zinc/90/35/05/1093903505.db2.gz XVIZOEQZGOEOGI-UHFFFAOYSA-N -1 3 325.328 2.971 20 5 EFBDHM Cc1cc(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])cc(C)c1O ZINC001591969560 1093937334 /nfs/dbraw/zinc/93/73/34/1093937334.db2.gz DKBKSZNHKXOGNN-UHFFFAOYSA-N -1 3 340.343 2.709 20 5 EFBDHM Cc1cc(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])cc(C)c1O ZINC001591969560 1093937337 /nfs/dbraw/zinc/93/73/37/1093937337.db2.gz DKBKSZNHKXOGNN-UHFFFAOYSA-N -1 3 340.343 2.709 20 5 EFBDHM Cc1cc(COC(=O)c2csc([N+](=O)[O-])c2)ccc1-c1nnn[n-]1 ZINC001591971843 1093940182 /nfs/dbraw/zinc/94/01/82/1093940182.db2.gz CLLZXUXGQFIOPV-UHFFFAOYSA-N -1 3 345.340 2.502 20 5 EFBDHM Cc1cc(COC(=O)c2csc([N+](=O)[O-])c2)ccc1-c1nn[n-]n1 ZINC001591971843 1093940184 /nfs/dbraw/zinc/94/01/84/1093940184.db2.gz CLLZXUXGQFIOPV-UHFFFAOYSA-N -1 3 345.340 2.502 20 5 EFBDHM Cc1cc(N2CCc3cc(F)ccc32)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592009917 1093953060 /nfs/dbraw/zinc/95/30/60/1093953060.db2.gz WNPYSQPHBWYHSB-UHFFFAOYSA-N -1 3 340.318 2.917 20 5 EFBDHM Cc1cc(N2CCc3cc(F)ccc32)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592009917 1093953063 /nfs/dbraw/zinc/95/30/63/1093953063.db2.gz WNPYSQPHBWYHSB-UHFFFAOYSA-N -1 3 340.318 2.917 20 5 EFBDHM Cc1cc(NC[C@H]2CCCCS2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592043554 1093965197 /nfs/dbraw/zinc/96/51/97/1093965197.db2.gz HCRAJKYCINNIHY-SNVBAGLBSA-N -1 3 334.405 2.781 20 5 EFBDHM Cc1cc(NC[C@H]2CCCCS2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592043554 1093965199 /nfs/dbraw/zinc/96/51/99/1093965199.db2.gz HCRAJKYCINNIHY-SNVBAGLBSA-N -1 3 334.405 2.781 20 5 EFBDHM Cc1cc(NCCCC2CCOCC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592048100 1093967776 /nfs/dbraw/zinc/96/77/76/1093967776.db2.gz VPCXMQTZCZHFHW-UHFFFAOYSA-N -1 3 346.391 2.702 20 5 EFBDHM Cc1cc(NCCCC2CCOCC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592048100 1093967778 /nfs/dbraw/zinc/96/77/78/1093967778.db2.gz VPCXMQTZCZHFHW-UHFFFAOYSA-N -1 3 346.391 2.702 20 5 EFBDHM Cc1cc(Sc2ccc([N+](=O)[O-])c(C)n2)ccc1-c1nnn[n-]1 ZINC001592068147 1093973536 /nfs/dbraw/zinc/97/35/36/1093973536.db2.gz SIYRYBBDRCNSAZ-UHFFFAOYSA-N -1 3 328.357 2.938 20 5 EFBDHM Cc1cc(Sc2ccc([N+](=O)[O-])c(C)n2)ccc1-c1nn[n-]n1 ZINC001592068147 1093973539 /nfs/dbraw/zinc/97/35/39/1093973539.db2.gz SIYRYBBDRCNSAZ-UHFFFAOYSA-N -1 3 328.357 2.938 20 5 EFBDHM Cc1ccc(CCNc2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)o1 ZINC001592151233 1094001523 /nfs/dbraw/zinc/00/15/23/1094001523.db2.gz KCBOIVRAIYMEEF-UHFFFAOYSA-N -1 3 328.332 2.639 20 5 EFBDHM Cc1ccc(CCNc2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)o1 ZINC001592151233 1094001528 /nfs/dbraw/zinc/00/15/28/1094001528.db2.gz KCBOIVRAIYMEEF-UHFFFAOYSA-N -1 3 328.332 2.639 20 5 EFBDHM Cc1ccc(CN(C)c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])s1 ZINC001592152102 1094002223 /nfs/dbraw/zinc/00/22/23/1094002223.db2.gz DFPODANOFUUATG-UHFFFAOYSA-N -1 3 348.363 2.920 20 5 EFBDHM Cc1ccc(CN(C)c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])s1 ZINC001592152102 1094002229 /nfs/dbraw/zinc/00/22/29/1094002229.db2.gz DFPODANOFUUATG-UHFFFAOYSA-N -1 3 348.363 2.920 20 5 EFBDHM Cc1ccc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c(Cl)n1 ZINC001592166892 1094010494 /nfs/dbraw/zinc/01/04/94/1094010494.db2.gz MYQNWHNZTBSIHE-UHFFFAOYSA-N -1 3 345.750 2.744 20 5 EFBDHM Cc1ccc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c(Cl)n1 ZINC001592166892 1094010497 /nfs/dbraw/zinc/01/04/97/1094010497.db2.gz MYQNWHNZTBSIHE-UHFFFAOYSA-N -1 3 345.750 2.744 20 5 EFBDHM Cc1ccc(CNc2ncc(Cl)cc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001592167524 1094012271 /nfs/dbraw/zinc/01/22/71/1094012271.db2.gz LIWQMFSHLGPOMP-UHFFFAOYSA-N -1 3 345.750 2.744 20 5 EFBDHM Cc1ccc(CNc2ncc(Cl)cc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001592167524 1094012277 /nfs/dbraw/zinc/01/22/77/1094012277.db2.gz LIWQMFSHLGPOMP-UHFFFAOYSA-N -1 3 345.750 2.744 20 5 EFBDHM Cc1ccc(OCc2ccc(C)c(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC001592191650 1094026166 /nfs/dbraw/zinc/02/61/66/1094026166.db2.gz ZWOJMHUBDPIEBP-UHFFFAOYSA-N -1 3 325.328 2.971 20 5 EFBDHM Cc1ccc(OCc2ccc(C)c(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC001592191650 1094026173 /nfs/dbraw/zinc/02/61/73/1094026173.db2.gz ZWOJMHUBDPIEBP-UHFFFAOYSA-N -1 3 325.328 2.971 20 5 EFBDHM Cc1cccc(F)c1CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001592232802 1094041557 /nfs/dbraw/zinc/04/15/57/1094041557.db2.gz LCTKDLKRFMPVKQ-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM Cc1cccc2c1CCN2c1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592244798 1094046128 /nfs/dbraw/zinc/04/61/28/1094046128.db2.gz LBWHXVZASXLDSX-UHFFFAOYSA-N -1 3 340.318 2.917 20 5 EFBDHM Cc1cccc2c1CCN2c1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592244798 1094046132 /nfs/dbraw/zinc/04/61/32/1094046132.db2.gz LBWHXVZASXLDSX-UHFFFAOYSA-N -1 3 340.318 2.917 20 5 EFBDHM Cc1nsc(NC[C@@H](C)c2ccccc2[N+](=O)[O-])c1-c1nnn[n-]1 ZINC001592486551 1094111035 /nfs/dbraw/zinc/11/10/35/1094111035.db2.gz LNZKCHZKJMHKEV-MRVPVSSYSA-N -1 3 345.388 2.755 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(NCC2CCC3(CC3)CC2)c1-c1nnn[n-]1 ZINC001592757206 1094184842 /nfs/dbraw/zinc/18/48/42/1094184842.db2.gz IOVTZJMCOWSLDU-UHFFFAOYSA-N -1 3 343.391 2.739 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(NCC2CCC3(CC3)CC2)c1-c1nn[n-]n1 ZINC001592757206 1094184845 /nfs/dbraw/zinc/18/48/45/1094184845.db2.gz IOVTZJMCOWSLDU-UHFFFAOYSA-N -1 3 343.391 2.739 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(Oc2ccc3cccnc3c2)c1-c1nnn[n-]1 ZINC001592759336 1094185855 /nfs/dbraw/zinc/18/58/55/1094185855.db2.gz WECQHEKTNOJORD-UHFFFAOYSA-N -1 3 349.310 2.698 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(Oc2ccc3cccnc3c2)c1-c1nn[n-]n1 ZINC001592759336 1094185856 /nfs/dbraw/zinc/18/58/56/1094185856.db2.gz WECQHEKTNOJORD-UHFFFAOYSA-N -1 3 349.310 2.698 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(Sc2cccc(F)c2)c1-c1nnn[n-]1 ZINC001592758758 1094186085 /nfs/dbraw/zinc/18/60/85/1094186085.db2.gz MACLQIDLKIRJIY-UHFFFAOYSA-N -1 3 332.320 2.647 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(Sc2cccc(F)c2)c1-c1nn[n-]n1 ZINC001592758758 1094186087 /nfs/dbraw/zinc/18/60/87/1094186087.db2.gz MACLQIDLKIRJIY-UHFFFAOYSA-N -1 3 332.320 2.647 20 5 EFBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)C1CC2(CC2)C1 ZINC001593201541 1094236099 /nfs/dbraw/zinc/23/60/99/1094236099.db2.gz JTODGJZFDQMPFP-UHFFFAOYSA-N -1 3 348.750 2.557 20 5 EFBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)C1CC2(CC2)C1 ZINC001593201541 1094236104 /nfs/dbraw/zinc/23/61/04/1094236104.db2.gz JTODGJZFDQMPFP-UHFFFAOYSA-N -1 3 348.750 2.557 20 5 EFBDHM O=C(Nc1ccccc1-c1nnn[n-]1)c1cc([N+](=O)[O-])ccc1Cl ZINC001593252019 1094253939 /nfs/dbraw/zinc/25/39/39/1094253939.db2.gz XQQPGBUPDNBPPS-UHFFFAOYSA-N -1 3 344.718 2.681 20 5 EFBDHM O=C(Nc1ccccc1-c1nn[n-]n1)c1cc([N+](=O)[O-])ccc1Cl ZINC001593252019 1094253942 /nfs/dbraw/zinc/25/39/42/1094253942.db2.gz XQQPGBUPDNBPPS-UHFFFAOYSA-N -1 3 344.718 2.681 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1CSC[C@@H]1CCCCO1 ZINC001593469134 1094310804 /nfs/dbraw/zinc/31/08/04/1094310804.db2.gz XLWYYQGUKVEOTE-LBPRGKRZSA-N -1 3 335.389 2.577 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1CSC[C@@H]1CCCCO1 ZINC001593469134 1094310805 /nfs/dbraw/zinc/31/08/05/1094310805.db2.gz XLWYYQGUKVEOTE-LBPRGKRZSA-N -1 3 335.389 2.577 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1Cc2ccccc2C2(CC2)C1 ZINC001593468604 1094311156 /nfs/dbraw/zinc/31/11/56/1094311156.db2.gz PUIAVOHKGTXBQO-UHFFFAOYSA-N -1 3 348.366 2.827 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1Cc2ccccc2C2(CC2)C1 ZINC001593468604 1094311166 /nfs/dbraw/zinc/31/11/66/1094311166.db2.gz PUIAVOHKGTXBQO-UHFFFAOYSA-N -1 3 348.366 2.827 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H](C1CCC1)[C@@H]1CCCO1 ZINC001593467993 1094311422 /nfs/dbraw/zinc/31/14/22/1094311422.db2.gz HNCWNYXUPTZNJJ-LSDHHAIUSA-N -1 3 344.375 2.535 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H](C1CCC1)[C@@H]1CCCO1 ZINC001593467993 1094311430 /nfs/dbraw/zinc/31/14/30/1094311430.db2.gz HNCWNYXUPTZNJJ-LSDHHAIUSA-N -1 3 344.375 2.535 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NC[C@H]1CCC(F)(F)C1 ZINC001593468840 1094311951 /nfs/dbraw/zinc/31/19/51/1094311951.db2.gz RJKIQCZVDHQKIY-ZETCQYMHSA-N -1 3 342.281 2.761 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NC[C@H]1CCC(F)(F)C1 ZINC001593468840 1094311960 /nfs/dbraw/zinc/31/19/60/1094311960.db2.gz RJKIQCZVDHQKIY-ZETCQYMHSA-N -1 3 342.281 2.761 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1Oc1cc(F)cc(F)c1 ZINC001593468112 1094312417 /nfs/dbraw/zinc/31/24/17/1094312417.db2.gz ZIECILRXRZXEBD-UHFFFAOYSA-N -1 3 337.217 2.985 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NCC[C@H]1CCCS1 ZINC001593468777 1094312642 /nfs/dbraw/zinc/31/26/42/1094312642.db2.gz QJBRXKZFJLHUQC-MRVPVSSYSA-N -1 3 338.368 2.612 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NCC[C@H]1CCCS1 ZINC001593468777 1094312649 /nfs/dbraw/zinc/31/26/49/1094312649.db2.gz QJBRXKZFJLHUQC-MRVPVSSYSA-N -1 3 338.368 2.612 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@@H]2CCCC[C@H]2C1 ZINC001593468889 1094313106 /nfs/dbraw/zinc/31/31/06/1094313106.db2.gz UZTUCXDTFJPLPW-AAEUAGOBSA-N -1 3 328.376 2.791 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@@H]2CCCC[C@H]2C1 ZINC001593468889 1094313115 /nfs/dbraw/zinc/31/31/15/1094313115.db2.gz UZTUCXDTFJPLPW-AAEUAGOBSA-N -1 3 328.376 2.791 20 5 EFBDHM O=[N+]([O-])c1cc(N2CC[C@@H](CC(F)(F)F)C2)ccc1-c1nnn[n-]1 ZINC001593470215 1094313918 /nfs/dbraw/zinc/31/39/18/1094313918.db2.gz BBPDCVGHZHQHTO-QMMMGPOBSA-N -1 3 342.281 2.554 20 5 EFBDHM O=[N+]([O-])c1cc(N2CCC(C3CCC3)CC2)ccc1-c1nnn[n-]1 ZINC001593471633 1094315831 /nfs/dbraw/zinc/31/58/31/1094315831.db2.gz QCEGGBIJMVPNAH-UHFFFAOYSA-N -1 3 328.376 2.791 20 5 EFBDHM O=[N+]([O-])c1cc(N2CCC[C@@H]2c2ccccn2)ccc1-c1nnn[n-]1 ZINC001593470729 1094315990 /nfs/dbraw/zinc/31/59/90/1094315990.db2.gz IEBGZVZVRZVGPE-CQSZACIVSA-N -1 3 337.343 2.511 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N[C@H]1C[C@]1(F)c1ccccc1 ZINC001593474426 1094317955 /nfs/dbraw/zinc/31/79/55/1094317955.db2.gz IWHYMRIPZMUUKV-HOCLYGCPSA-N -1 3 340.318 2.824 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N[C@H]1C[C@]1(F)c1ccccc1 ZINC001593474426 1094317960 /nfs/dbraw/zinc/31/79/60/1094317960.db2.gz IWHYMRIPZMUUKV-HOCLYGCPSA-N -1 3 340.318 2.824 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N[C@@H]1C[C@@H]1Cc1ccccc1 ZINC001593473794 1094318317 /nfs/dbraw/zinc/31/83/17/1094318317.db2.gz AUQNWUZWLAFUKR-UONOGXRCSA-N -1 3 336.355 2.818 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N[C@@H]1C[C@@H]1Cc1ccccc1 ZINC001593473794 1094318324 /nfs/dbraw/zinc/31/83/24/1094318324.db2.gz AUQNWUZWLAFUKR-UONOGXRCSA-N -1 3 336.355 2.818 20 5 EFBDHM O=[N+]([O-])c1cc(N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)ccc1-c1nnn[n-]1 ZINC001593473676 1094318665 /nfs/dbraw/zinc/31/86/65/1094318665.db2.gz JHXWJPFZYRRCJC-HYVNUMGLSA-N -1 3 348.366 2.915 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCc1ccc(F)cc1F ZINC001593474366 1094318901 /nfs/dbraw/zinc/31/89/01/1094318901.db2.gz DTELPWGCELXGNW-UHFFFAOYSA-N -1 3 332.270 2.665 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCc1ccc(F)cc1F ZINC001593474366 1094318908 /nfs/dbraw/zinc/31/89/08/1094318908.db2.gz DTELPWGCELXGNW-UHFFFAOYSA-N -1 3 332.270 2.665 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2cn(Cc3ccccc3-c3nnn[n-]3)cn2)cc1 ZINC001593473588 1094319073 /nfs/dbraw/zinc/31/90/73/1094319073.db2.gz ALJWLWGORWFKHK-UHFFFAOYSA-N -1 3 347.338 2.687 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2cn(Cc3ccccc3-c3nn[n-]n3)cn2)cc1 ZINC001593473588 1094319079 /nfs/dbraw/zinc/31/90/79/1094319079.db2.gz ALJWLWGORWFKHK-UHFFFAOYSA-N -1 3 347.338 2.687 20 5 EFBDHM O=[N+]([O-])c1ccc(C=Cc2ccc(-c3nnn[n-]3)cn2)cc1Cl ZINC001593475816 1094319565 /nfs/dbraw/zinc/31/95/65/1094319565.db2.gz OSMLLLFWYKFZBQ-RJRFIUFISA-N -1 3 328.719 2.994 20 5 EFBDHM O=[N+]([O-])c1ccc(C=Cc2ccc(-c3nn[n-]n3)cn2)cc1Cl ZINC001593475816 1094319578 /nfs/dbraw/zinc/31/95/78/1094319578.db2.gz OSMLLLFWYKFZBQ-RJRFIUFISA-N -1 3 328.719 2.994 20 5 EFBDHM O=[N+]([O-])c1cc(NCc2ccc(F)c(F)c2)ccc1-c1nnn[n-]1 ZINC001593475057 1094319728 /nfs/dbraw/zinc/31/97/28/1094319728.db2.gz XXFVTIWRINAIDL-UHFFFAOYSA-N -1 3 332.270 2.665 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N[C@H](C1CC1)[C@@H]1CCCCO1 ZINC001593476457 1094319841 /nfs/dbraw/zinc/31/98/41/1094319841.db2.gz WCGIAEDALGSGJR-LSDHHAIUSA-N -1 3 344.375 2.535 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N[C@H](C1CC1)[C@@H]1CCCCO1 ZINC001593476457 1094319846 /nfs/dbraw/zinc/31/98/46/1094319846.db2.gz WCGIAEDALGSGJR-LSDHHAIUSA-N -1 3 344.375 2.535 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CCC[C@@H](C(F)(F)F)C2)c(-c2nnn[n-]2)c1 ZINC001593476719 1094319935 /nfs/dbraw/zinc/31/99/35/1094319935.db2.gz WCLUHDXTHTXUNW-MRVPVSSYSA-N -1 3 342.281 2.554 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CCC[C@@H](C(F)(F)F)C2)c(-c2nn[n-]n2)c1 ZINC001593476719 1094319939 /nfs/dbraw/zinc/31/99/39/1094319939.db2.gz WCLUHDXTHTXUNW-MRVPVSSYSA-N -1 3 342.281 2.554 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CC[C@H]2c2ccc(F)cc2)c(-c2nnn[n-]2)c1 ZINC001593475762 1094320124 /nfs/dbraw/zinc/32/01/24/1094320124.db2.gz DTNMBDXHMKNCQH-AWEZNQCLSA-N -1 3 340.318 2.865 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CC[C@H]2c2ccc(F)cc2)c(-c2nn[n-]n2)c1 ZINC001593475762 1094320136 /nfs/dbraw/zinc/32/01/36/1094320136.db2.gz DTNMBDXHMKNCQH-AWEZNQCLSA-N -1 3 340.318 2.865 20 5 EFBDHM O=[N+]([O-])c1ccc(F)c(NCc2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC001593475863 1094321484 /nfs/dbraw/zinc/32/14/84/1094321484.db2.gz FKYZBBGHRMVIGD-UHFFFAOYSA-N -1 3 332.270 2.665 20 5 EFBDHM O=[N+]([O-])c1ccc(F)c(NCc2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC001593475863 1094321489 /nfs/dbraw/zinc/32/14/89/1094321489.db2.gz FKYZBBGHRMVIGD-UHFFFAOYSA-N -1 3 332.270 2.665 20 5 EFBDHM O=[N+]([O-])c1ccc(NC[C@@H]2CCCC3(CCC3)O2)c(-c2nnn[n-]2)c1 ZINC001593478228 1094322499 /nfs/dbraw/zinc/32/24/99/1094322499.db2.gz RNDPLDQHFBGLJF-LBPRGKRZSA-N -1 3 344.375 2.679 20 5 EFBDHM O=[N+]([O-])c1ccc(NC[C@@H]2CCCC3(CCC3)O2)c(-c2nn[n-]n2)c1 ZINC001593478228 1094322507 /nfs/dbraw/zinc/32/25/07/1094322507.db2.gz RNDPLDQHFBGLJF-LBPRGKRZSA-N -1 3 344.375 2.679 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@H](CO)CC2CCCCC2)c(-c2nnn[n-]2)c1 ZINC001593478435 1094322601 /nfs/dbraw/zinc/32/26/01/1094322601.db2.gz GTVKMYPIMIUJIH-LBPRGKRZSA-N -1 3 346.391 2.518 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@H](CO)CC2CCCCC2)c(-c2nn[n-]n2)c1 ZINC001593478435 1094322608 /nfs/dbraw/zinc/32/26/08/1094322608.db2.gz GTVKMYPIMIUJIH-LBPRGKRZSA-N -1 3 346.391 2.518 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC1C[C@H]2CC[C@@H](C1)S2 ZINC001593480132 1094322750 /nfs/dbraw/zinc/32/27/50/1094322750.db2.gz GKBYPPRKNLKYKX-PBINXNQUSA-N -1 3 332.389 2.613 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NC1C[C@H]2CC[C@@H](C1)S2 ZINC001593480132 1094322761 /nfs/dbraw/zinc/32/27/61/1094322761.db2.gz GKBYPPRKNLKYKX-PBINXNQUSA-N -1 3 332.389 2.613 20 5 EFBDHM O=[N+]([O-])c1ccc(NCc2ccc(-c3nnn[n-]3)cn2)c(C(F)F)c1 ZINC001593479101 1094324317 /nfs/dbraw/zinc/32/43/17/1094324317.db2.gz TVZIKXJKCHDHDG-UHFFFAOYSA-N -1 3 347.285 2.720 20 5 EFBDHM O=[N+]([O-])c1ccc(NCc2ccc(-c3nn[n-]n3)cn2)c(C(F)F)c1 ZINC001593479101 1094324322 /nfs/dbraw/zinc/32/43/22/1094324322.db2.gz TVZIKXJKCHDHDG-UHFFFAOYSA-N -1 3 347.285 2.720 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CSC1(CO)CCCCC1 ZINC001593483050 1094325827 /nfs/dbraw/zinc/32/58/27/1094325827.db2.gz SLBFFTCZYRUKGI-UHFFFAOYSA-N -1 3 349.416 2.703 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1CSC1(CO)CCCCC1 ZINC001593483050 1094325837 /nfs/dbraw/zinc/32/58/37/1094325837.db2.gz SLBFFTCZYRUKGI-UHFFFAOYSA-N -1 3 349.416 2.703 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N[C@@H](C1CCC1)[C@@H]1CCCO1 ZINC001593480305 1094326776 /nfs/dbraw/zinc/32/67/76/1094326776.db2.gz IXQZDHLIDQUMQK-KBPBESRZSA-N -1 3 344.375 2.535 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N[C@@H](C1CCC1)[C@@H]1CCCO1 ZINC001593480305 1094326785 /nfs/dbraw/zinc/32/67/85/1094326785.db2.gz IXQZDHLIDQUMQK-KBPBESRZSA-N -1 3 344.375 2.535 20 5 EFBDHM O=[N+]([O-])c1ccccc1-c1cnn(Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC001593485163 1094329590 /nfs/dbraw/zinc/32/95/90/1094329590.db2.gz KTCMZPXNVGICRP-UHFFFAOYSA-N -1 3 347.338 2.687 20 5 EFBDHM O=[N+]([O-])c1ccccc1-c1cnn(Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC001593485163 1094329597 /nfs/dbraw/zinc/32/95/97/1094329597.db2.gz KTCMZPXNVGICRP-UHFFFAOYSA-N -1 3 347.338 2.687 20 5 EFBDHM Cc1cc(N2CCN(C)[C@H](C(C)(C)C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600240210 1094910351 /nfs/dbraw/zinc/91/03/51/1094910351.db2.gz HWZWDUBQCFWEPP-HNNXBMFYSA-N -1 3 335.404 2.768 20 5 EFBDHM Cc1ccc(CNCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)c(C)c1 ZINC001600419934 1095051179 /nfs/dbraw/zinc/05/11/79/1095051179.db2.gz NDPNBXYUVIUYKW-UHFFFAOYSA-N -1 3 344.367 2.965 20 5 EFBDHM O=C([O-])[C@@H]1CCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1Br ZINC001601810865 1095915333 /nfs/dbraw/zinc/91/53/33/1095915333.db2.gz WWDDCEMEZMEHKR-PWSUYJOCSA-N -1 3 343.177 2.700 20 5 EFBDHM O=C([O-])[C@@H]1CCCCC[C@@H]1NCc1c(F)cc([N+](=O)[O-])cc1F ZINC001602171812 1096101001 /nfs/dbraw/zinc/10/10/01/1096101001.db2.gz QMZHTQDGUUHALI-YGRLFVJLSA-N -1 3 328.315 2.996 20 5 EFBDHM O=C([O-])[C@@H]1CCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1Br ZINC001602173729 1096102842 /nfs/dbraw/zinc/10/28/42/1096102842.db2.gz UWXKOMCNUBHCFN-PWSUYJOCSA-N -1 3 343.177 2.700 20 5 EFBDHM O=C([O-])c1cc2n(n1)CCC[C@H]2NC/C=C\c1ccccc1[N+](=O)[O-] ZINC001602310566 1096171600 /nfs/dbraw/zinc/17/16/00/1096171600.db2.gz KHJSTVOQVUCIDA-ACVFHECNSA-N -1 3 342.355 2.627 20 5 EFBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CC[C@H](Cc3ccncc3)C2)c1 ZINC001602405518 1096225002 /nfs/dbraw/zinc/22/50/02/1096225002.db2.gz VSNMWGAXYIDXQM-CQSZACIVSA-N -1 3 341.367 2.753 20 5 EFBDHM CC(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC001602953011 1096406379 /nfs/dbraw/zinc/40/63/79/1096406379.db2.gz UBWQNYASYXZTDW-UHFFFAOYSA-N -1 3 340.299 2.526 20 5 EFBDHM CC(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC001602953011 1096406380 /nfs/dbraw/zinc/40/63/80/1096406380.db2.gz UBWQNYASYXZTDW-UHFFFAOYSA-N -1 3 340.299 2.526 20 5 EFBDHM CC(C)(C)C(F)(F)CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001603060405 1096427197 /nfs/dbraw/zinc/42/71/97/1096427197.db2.gz HATWWYOFSDMYGD-UHFFFAOYSA-N -1 3 326.307 2.868 20 5 EFBDHM CC(C)(C)C(F)(F)CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001603060405 1096427204 /nfs/dbraw/zinc/42/72/04/1096427204.db2.gz HATWWYOFSDMYGD-UHFFFAOYSA-N -1 3 326.307 2.868 20 5 EFBDHM CC(C)(CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C1(O)CCCC1 ZINC001603150690 1096459966 /nfs/dbraw/zinc/45/99/66/1096459966.db2.gz LMWRAADYLBTBTH-UHFFFAOYSA-N -1 3 346.391 2.518 20 5 EFBDHM CC(C)(CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C1(O)CCCC1 ZINC001603150690 1096459973 /nfs/dbraw/zinc/45/99/73/1096459973.db2.gz LMWRAADYLBTBTH-UHFFFAOYSA-N -1 3 346.391 2.518 20 5 EFBDHM CC(C)[C@@H]1OCCC[C@H]1CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001603253907 1096486929 /nfs/dbraw/zinc/48/69/29/1096486929.db2.gz RJGLYJDFFAMRKB-NHYWBVRUSA-N -1 3 346.391 2.638 20 5 EFBDHM C[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC001603561050 1096552743 /nfs/dbraw/zinc/55/27/43/1096552743.db2.gz AIKBPZYYGBSTAJ-VIFPVBQESA-N -1 3 343.322 2.525 20 5 EFBDHM C[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001603561050 1096552748 /nfs/dbraw/zinc/55/27/48/1096552748.db2.gz AIKBPZYYGBSTAJ-VIFPVBQESA-N -1 3 343.322 2.525 20 5 EFBDHM C[C@@H](Nc1ccc(N)cc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC001603683016 1096590261 /nfs/dbraw/zinc/59/02/61/1096590261.db2.gz AEZQWGDESORSHM-SECBINFHSA-N -1 3 325.332 2.530 20 5 EFBDHM C[C@@H](Nc1ccc(N)cc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC001603683016 1096590263 /nfs/dbraw/zinc/59/02/63/1096590263.db2.gz AEZQWGDESORSHM-SECBINFHSA-N -1 3 325.332 2.530 20 5 EFBDHM C[C@@](O)(CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1CCCCC1 ZINC001603691216 1096591143 /nfs/dbraw/zinc/59/11/43/1096591143.db2.gz WIWVCXFELGNZFA-MRXNPFEDSA-N -1 3 346.391 2.518 20 5 EFBDHM C[C@@](O)(CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C1CCCCC1 ZINC001603691216 1096591150 /nfs/dbraw/zinc/59/11/50/1096591150.db2.gz WIWVCXFELGNZFA-MRXNPFEDSA-N -1 3 346.391 2.518 20 5 EFBDHM CC1(C)CN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)CC(C)(C)C1 ZINC001603787960 1096627603 /nfs/dbraw/zinc/62/76/03/1096627603.db2.gz PYOWTXPRAAHEPX-UHFFFAOYSA-N -1 3 345.407 2.620 20 5 EFBDHM CC1(C)CN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)CC(C)(C)C1 ZINC001603787960 1096627605 /nfs/dbraw/zinc/62/76/05/1096627605.db2.gz PYOWTXPRAAHEPX-UHFFFAOYSA-N -1 3 345.407 2.620 20 5 EFBDHM C[C@@]1(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1(Cl)Cl ZINC001603805821 1096632973 /nfs/dbraw/zinc/63/29/73/1096632973.db2.gz CXYDYUUZZDMPEP-NSHDSACASA-N -1 3 343.174 2.771 20 5 EFBDHM CC1(c2ccccc2)CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001603821854 1096636684 /nfs/dbraw/zinc/63/66/84/1096636684.db2.gz QBLGOZSPBXHWRF-UHFFFAOYSA-N -1 3 336.355 2.553 20 5 EFBDHM CC1(c2ccccc2)CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001603821854 1096636690 /nfs/dbraw/zinc/63/66/90/1096636690.db2.gz QBLGOZSPBXHWRF-UHFFFAOYSA-N -1 3 336.355 2.553 20 5 EFBDHM C[C@@H]1CC/C(=C\C(=O)OCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001603874516 1096652148 /nfs/dbraw/zinc/65/21/48/1096652148.db2.gz XPCFOPLOODVGHN-MXBGMFSPSA-N -1 3 343.343 2.565 20 5 EFBDHM C[C@@H]1CC/C(=C\C(=O)OCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001603874516 1096652152 /nfs/dbraw/zinc/65/21/52/1096652152.db2.gz XPCFOPLOODVGHN-MXBGMFSPSA-N -1 3 343.343 2.565 20 5 EFBDHM C[C@H]1CC/C(=C\C(=O)OCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001603874518 1096652377 /nfs/dbraw/zinc/65/23/77/1096652377.db2.gz XPCFOPLOODVGHN-NGPGYTDTSA-N -1 3 343.343 2.565 20 5 EFBDHM C[C@H]1CC/C(=C\C(=O)OCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001603874518 1096652379 /nfs/dbraw/zinc/65/23/79/1096652379.db2.gz XPCFOPLOODVGHN-NGPGYTDTSA-N -1 3 343.343 2.565 20 5 EFBDHM C[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)[C@H]1C ZINC001603885979 1096657276 /nfs/dbraw/zinc/65/72/76/1096657276.db2.gz GPZSGOKWIYYLKN-KXUCPTDWSA-N -1 3 331.380 2.594 20 5 EFBDHM C[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)[C@H]1C ZINC001603885979 1096657279 /nfs/dbraw/zinc/65/72/79/1096657279.db2.gz GPZSGOKWIYYLKN-KXUCPTDWSA-N -1 3 331.380 2.594 20 5 EFBDHM C[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)[C@H]1C ZINC001603885982 1096657837 /nfs/dbraw/zinc/65/78/37/1096657837.db2.gz GPZSGOKWIYYLKN-UTLUCORTSA-N -1 3 331.380 2.594 20 5 EFBDHM C[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)[C@H]1C ZINC001603885982 1096657848 /nfs/dbraw/zinc/65/78/48/1096657848.db2.gz GPZSGOKWIYYLKN-UTLUCORTSA-N -1 3 331.380 2.594 20 5 EFBDHM C[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)[C@@H]1C ZINC001603885977 1096657884 /nfs/dbraw/zinc/65/78/84/1096657884.db2.gz GPZSGOKWIYYLKN-BBBLOLIVSA-N -1 3 331.380 2.594 20 5 EFBDHM C[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)[C@@H]1C ZINC001603885977 1096657889 /nfs/dbraw/zinc/65/78/89/1096657889.db2.gz GPZSGOKWIYYLKN-BBBLOLIVSA-N -1 3 331.380 2.594 20 5 EFBDHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)[C@@H]2CCCC[C@@H]21 ZINC001603938626 1096675821 /nfs/dbraw/zinc/67/58/21/1096675821.db2.gz GAWHQBCNPTUXLN-MPKXVKKWSA-N -1 3 328.376 2.790 20 5 EFBDHM CCC1(CC)[C@H](OC)C[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001604086135 1096727000 /nfs/dbraw/zinc/72/70/00/1096727000.db2.gz PATTVQRWISRHPQ-UONOGXRCSA-N -1 3 346.391 2.781 20 5 EFBDHM CCC1(CC)[C@H](OC)C[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001604086135 1096727006 /nfs/dbraw/zinc/72/70/06/1096727006.db2.gz PATTVQRWISRHPQ-UONOGXRCSA-N -1 3 346.391 2.781 20 5 EFBDHM CCc1ccc(CNc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)s1 ZINC001604524641 1096892630 /nfs/dbraw/zinc/89/26/30/1096892630.db2.gz WXNQBOUGBCTUEG-UHFFFAOYSA-N -1 3 345.388 2.593 20 5 EFBDHM CCc1ccc(CNc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)s1 ZINC001604524641 1096892634 /nfs/dbraw/zinc/89/26/34/1096892634.db2.gz WXNQBOUGBCTUEG-UHFFFAOYSA-N -1 3 345.388 2.593 20 5 EFBDHM CCc1nnc(Sc2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)s1 ZINC001604583210 1096908817 /nfs/dbraw/zinc/90/88/17/1096908817.db2.gz BTTPSPBAUCIBKF-UHFFFAOYSA-N -1 3 349.401 2.648 20 5 EFBDHM CCc1nnc(Sc2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)s1 ZINC001604583210 1096908820 /nfs/dbraw/zinc/90/88/20/1096908820.db2.gz BTTPSPBAUCIBKF-UHFFFAOYSA-N -1 3 349.401 2.648 20 5 EFBDHM C[C@H]1C[C@H](Nc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CN1C1CC1 ZINC001604677423 1096929768 /nfs/dbraw/zinc/92/97/68/1096929768.db2.gz ROXDQICIXAUIHR-IUCAKERBSA-N -1 3 339.779 2.984 20 5 EFBDHM COc1cc(Oc2ncc([N+](=O)[O-])cc2Cl)ccc1-c1nnn[n-]1 ZINC001605239043 1097063757 /nfs/dbraw/zinc/06/37/57/1097063757.db2.gz SNDHQSCORXMWRJ-UHFFFAOYSA-N -1 3 348.706 2.624 20 5 EFBDHM COc1cc(Oc2ncc([N+](=O)[O-])cc2Cl)ccc1-c1nn[n-]n1 ZINC001605239043 1097063765 /nfs/dbraw/zinc/06/37/65/1097063765.db2.gz SNDHQSCORXMWRJ-UHFFFAOYSA-N -1 3 348.706 2.624 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1OCc1cccc(-c2nnn[n-]2)c1F ZINC001605238880 1097064653 /nfs/dbraw/zinc/06/46/53/1097064653.db2.gz OCHFWHQRAFCPDF-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1OCc1cccc(-c2nn[n-]n2)c1F ZINC001605238880 1097064659 /nfs/dbraw/zinc/06/46/59/1097064659.db2.gz OCHFWHQRAFCPDF-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1ccc([N+](=O)[O-])cc1CNc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001605307727 1097089743 /nfs/dbraw/zinc/08/97/43/1097089743.db2.gz LJVUZBWQCRGRPH-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM COc1ccc([N+](=O)[O-])cc1CNc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001605307727 1097089747 /nfs/dbraw/zinc/08/97/47/1097089747.db2.gz LJVUZBWQCRGRPH-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM COc1ccc([N+](=O)[O-])cc1OCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001605308176 1097090311 /nfs/dbraw/zinc/09/03/11/1097090311.db2.gz WANFLJUNRNEQNE-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1ccc([N+](=O)[O-])cc1OCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001605308176 1097090315 /nfs/dbraw/zinc/09/03/15/1097090315.db2.gz WANFLJUNRNEQNE-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM CSCCCSCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605375070 1097109558 /nfs/dbraw/zinc/10/95/58/1097109558.db2.gz NIHMJDAGSFIXBG-UHFFFAOYSA-N -1 3 325.419 2.761 20 5 EFBDHM CSCCCSCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605375070 1097109560 /nfs/dbraw/zinc/10/95/60/1097109560.db2.gz NIHMJDAGSFIXBG-UHFFFAOYSA-N -1 3 325.419 2.761 20 5 EFBDHM C[C@H](NCc1csc(-c2nnn[n-]2)c1)c1ccccc1[N+](=O)[O-] ZINC001605440815 1097125745 /nfs/dbraw/zinc/12/57/45/1097125745.db2.gz NFOSHMQOGGBQRK-VIFPVBQESA-N -1 3 330.373 2.687 20 5 EFBDHM C[C@H]1c2ccccc2C[C@H]1Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001605448189 1097127472 /nfs/dbraw/zinc/12/74/72/1097127472.db2.gz SBFCNEKMAMXMJJ-IINYFYTJSA-N -1 3 336.355 2.915 20 5 EFBDHM C[C@H]1c2ccccc2C[C@H]1Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001605448189 1097127476 /nfs/dbraw/zinc/12/74/76/1097127476.db2.gz SBFCNEKMAMXMJJ-IINYFYTJSA-N -1 3 336.355 2.915 20 5 EFBDHM Cc1c(-c2nnn[n-]2)cccc1-c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC001605467967 1097131748 /nfs/dbraw/zinc/13/17/48/1097131748.db2.gz IYOBOWKCTAISKU-UHFFFAOYSA-N -1 3 349.310 2.800 20 5 EFBDHM Cc1c(-c2nn[n-]n2)cccc1-c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC001605467967 1097131751 /nfs/dbraw/zinc/13/17/51/1097131751.db2.gz IYOBOWKCTAISKU-UHFFFAOYSA-N -1 3 349.310 2.800 20 5 EFBDHM Cc1c(CN2CCc3c2cccc3-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001605487880 1097136276 /nfs/dbraw/zinc/13/62/76/1097136276.db2.gz KJRHUIQEEOFKST-UHFFFAOYSA-N -1 3 336.355 2.646 20 5 EFBDHM Cc1c(CN2CCc3c2cccc3-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001605487880 1097136281 /nfs/dbraw/zinc/13/62/81/1097136281.db2.gz KJRHUIQEEOFKST-UHFFFAOYSA-N -1 3 336.355 2.646 20 5 EFBDHM Cc1cc(-c2nnn[n-]2)cc(N[C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC001605535181 1097152055 /nfs/dbraw/zinc/15/20/55/1097152055.db2.gz PSCLLHHOXFZFAY-JTQLQIEISA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1cc(-c2nn[n-]n2)cc(N[C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC001605535181 1097152059 /nfs/dbraw/zinc/15/20/59/1097152059.db2.gz PSCLLHHOXFZFAY-JTQLQIEISA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1cc(F)c(-c2nnn[n-]2)c(N(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001605670955 1097187707 /nfs/dbraw/zinc/18/77/07/1097187707.db2.gz GPIORWCUWAXYFN-UHFFFAOYSA-N -1 3 342.334 2.859 20 5 EFBDHM Cc1cc(F)c(-c2nn[n-]n2)c(N(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001605670955 1097187709 /nfs/dbraw/zinc/18/77/09/1097187709.db2.gz GPIORWCUWAXYFN-UHFFFAOYSA-N -1 3 342.334 2.859 20 5 EFBDHM Cc1cc(N[C@H]2CCO[C@H](C(C)C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605723242 1097208431 /nfs/dbraw/zinc/20/84/31/1097208431.db2.gz KKRHTKIYUVSOBK-NHYWBVRUSA-N -1 3 346.391 2.699 20 5 EFBDHM Cc1cc(N[C@H]2CCO[C@H](C(C)C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605723242 1097208432 /nfs/dbraw/zinc/20/84/32/1097208432.db2.gz KKRHTKIYUVSOBK-NHYWBVRUSA-N -1 3 346.391 2.699 20 5 EFBDHM Cc1cc(OCc2cc(F)ccc2[N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001605747711 1097215016 /nfs/dbraw/zinc/21/50/16/1097215016.db2.gz UYCDLPPMVSLFLD-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1cc(Oc2ncc([N+](=O)[O-])c(C)n2)c(C)c(C)c1-c1nn[n-]n1 ZINC001605749975 1097215115 /nfs/dbraw/zinc/21/51/15/1097215115.db2.gz CPSPBTXNZFFLOF-UHFFFAOYSA-N -1 3 341.331 2.591 20 5 EFBDHM Cc1cc(SCc2cccnc2[N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001605755129 1097216558 /nfs/dbraw/zinc/21/65/58/1097216558.db2.gz LCFSGIWBCFOYBS-UHFFFAOYSA-N -1 3 328.357 2.771 20 5 EFBDHM Cc1cc(SCc2cccnc2[N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001605755129 1097216564 /nfs/dbraw/zinc/21/65/64/1097216564.db2.gz LCFSGIWBCFOYBS-UHFFFAOYSA-N -1 3 328.357 2.771 20 5 EFBDHM Cc1ccc(CN(C)c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)s1 ZINC001605846206 1097249742 /nfs/dbraw/zinc/24/97/42/1097249742.db2.gz BVZJAQKSHNAAPE-UHFFFAOYSA-N -1 3 330.373 2.781 20 5 EFBDHM Cc1ccc(CN2Cc3ccc([N+](=O)[O-])cc3C2)cc1-c1nnn[n-]1 ZINC001605847637 1097250789 /nfs/dbraw/zinc/25/07/89/1097250789.db2.gz KBIFAPCZKHQZPL-UHFFFAOYSA-N -1 3 336.355 2.599 20 5 EFBDHM Cc1ccc(CN2Cc3ccc([N+](=O)[O-])cc3C2)cc1-c1nn[n-]n1 ZINC001605847637 1097250793 /nfs/dbraw/zinc/25/07/93/1097250793.db2.gz KBIFAPCZKHQZPL-UHFFFAOYSA-N -1 3 336.355 2.599 20 5 EFBDHM Cc1cccc(C)c1CNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001605908633 1097272039 /nfs/dbraw/zinc/27/20/39/1097272039.db2.gz JKTSIXXLUVWYBQ-UHFFFAOYSA-N -1 3 339.359 2.586 20 5 EFBDHM Cc1cccc(C)c1CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001605908633 1097272044 /nfs/dbraw/zinc/27/20/44/1097272044.db2.gz JKTSIXXLUVWYBQ-UHFFFAOYSA-N -1 3 339.359 2.586 20 5 EFBDHM Cc1cccc2c1CC[C@H]2Nc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605930766 1097279142 /nfs/dbraw/zinc/27/91/42/1097279142.db2.gz QIPROQHFCFWJDD-CYBMUJFWSA-N -1 3 337.343 2.578 20 5 EFBDHM Cc1cccc2c1CC[C@H]2Nc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605930766 1097279146 /nfs/dbraw/zinc/27/91/46/1097279146.db2.gz QIPROQHFCFWJDD-CYBMUJFWSA-N -1 3 337.343 2.578 20 5 EFBDHM Cc1nc(Sc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)sc1C ZINC001606079964 1097314781 /nfs/dbraw/zinc/31/47/81/1097314781.db2.gz WGUAIBVCTYCKNQ-UHFFFAOYSA-N -1 3 349.401 2.582 20 5 EFBDHM Cc1nc(Sc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)sc1C ZINC001606079964 1097314788 /nfs/dbraw/zinc/31/47/88/1097314788.db2.gz WGUAIBVCTYCKNQ-UHFFFAOYSA-N -1 3 349.401 2.582 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(NCc2cccc(Cl)c2)c1-c1nnn[n-]1 ZINC001606451314 1097402221 /nfs/dbraw/zinc/40/22/21/1097402221.db2.gz JJWLNCMVJDAQDS-UHFFFAOYSA-N -1 3 345.750 2.623 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(NCc2cccc(Cl)c2)c1-c1nn[n-]n1 ZINC001606451314 1097402223 /nfs/dbraw/zinc/40/22/23/1097402223.db2.gz JJWLNCMVJDAQDS-UHFFFAOYSA-N -1 3 345.750 2.623 20 5 EFBDHM O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001606939356 1097477133 /nfs/dbraw/zinc/47/71/33/1097477133.db2.gz WBWPCBMQCWICHY-UHFFFAOYSA-N -1 3 344.718 2.681 20 5 EFBDHM O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001606939356 1097477135 /nfs/dbraw/zinc/47/71/35/1097477135.db2.gz WBWPCBMQCWICHY-UHFFFAOYSA-N -1 3 344.718 2.681 20 5 EFBDHM O=C(Nc1ccccc1-c1nnn[n-]1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001606938897 1097477140 /nfs/dbraw/zinc/47/71/40/1097477140.db2.gz HASLYRRIGMMPSU-UHFFFAOYSA-N -1 3 344.718 2.681 20 5 EFBDHM O=C(Nc1ccccc1-c1nn[n-]n1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001606938897 1097477142 /nfs/dbraw/zinc/47/71/42/1097477142.db2.gz HASLYRRIGMMPSU-UHFFFAOYSA-N -1 3 344.718 2.681 20 5 EFBDHM O=Cc1ccc(Oc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])c(F)c1F ZINC001607056898 1097503945 /nfs/dbraw/zinc/50/39/45/1097503945.db2.gz WNJYBZOIQSLPIP-UHFFFAOYSA-N -1 3 347.237 2.658 20 5 EFBDHM O=Cc1ccc(Oc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])c(F)c1F ZINC001607056898 1097503948 /nfs/dbraw/zinc/50/39/48/1097503948.db2.gz WNJYBZOIQSLPIP-UHFFFAOYSA-N -1 3 347.237 2.658 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1Sc1ccc(O)cc1 ZINC001607077693 1097505539 /nfs/dbraw/zinc/50/55/39/1097505539.db2.gz QMMKSYQOEUTQPN-UHFFFAOYSA-N -1 3 333.304 2.771 20 5 EFBDHM O=[N+]([O-])c1cc(F)c(NCc2ccc(-c3nnn[n-]3)s2)c(F)c1 ZINC001607079030 1097506193 /nfs/dbraw/zinc/50/61/93/1097506193.db2.gz VDLQHDGFMNQPIC-UHFFFAOYSA-N -1 3 338.299 2.727 20 5 EFBDHM O=[N+]([O-])c1cc(N[C@@H]2CCCC23CCOCC3)ccc1-c1nnn[n-]1 ZINC001607079337 1097506671 /nfs/dbraw/zinc/50/66/71/1097506671.db2.gz GJPYKFSUASAOFN-CQSZACIVSA-N -1 3 344.375 2.536 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCc1ccc(F)cc1F ZINC001607079451 1097506711 /nfs/dbraw/zinc/50/67/11/1097506711.db2.gz KNTHKKCUOAZQKR-UHFFFAOYSA-N -1 3 332.270 2.665 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCc1ccc(F)cc1F ZINC001607079451 1097506715 /nfs/dbraw/zinc/50/67/15/1097506715.db2.gz KNTHKKCUOAZQKR-UHFFFAOYSA-N -1 3 332.270 2.665 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1SCc1ccccc1F ZINC001607078784 1097506865 /nfs/dbraw/zinc/50/68/65/1097506865.db2.gz LXDKYHXJWDBWKO-UHFFFAOYSA-N -1 3 332.320 2.601 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1SCc1ccccc1F ZINC001607078784 1097506871 /nfs/dbraw/zinc/50/68/71/1097506871.db2.gz LXDKYHXJWDBWKO-UHFFFAOYSA-N -1 3 332.320 2.601 20 5 EFBDHM O=[N+]([O-])c1cc(N2CC[C@@H]3CCCC[C@@H]3C2)ccc1-c1nnn[n-]1 ZINC001607078771 1097507156 /nfs/dbraw/zinc/50/71/56/1097507156.db2.gz LIWWRQZZNNLXEJ-NWDGAFQWSA-N -1 3 328.376 2.791 20 5 EFBDHM O=[N+]([O-])c1cc(F)cc(Oc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c1 ZINC001607078518 1097507326 /nfs/dbraw/zinc/50/73/26/1097507326.db2.gz DWBQPAXSRHSMED-UHFFFAOYSA-N -1 3 346.234 2.615 20 5 EFBDHM O=[N+]([O-])c1cc(F)cc(Oc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c1 ZINC001607078518 1097507330 /nfs/dbraw/zinc/50/73/30/1097507330.db2.gz DWBQPAXSRHSMED-UHFFFAOYSA-N -1 3 346.234 2.615 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1CCC[C@@H](C2CC2)C1 ZINC001607078289 1097507414 /nfs/dbraw/zinc/50/74/14/1097507414.db2.gz SVAUWRJUTCVVJC-SNVBAGLBSA-N -1 3 332.339 2.540 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1CCC[C@@H](C2CC2)C1 ZINC001607078289 1097507418 /nfs/dbraw/zinc/50/74/18/1097507418.db2.gz SVAUWRJUTCVVJC-SNVBAGLBSA-N -1 3 332.339 2.540 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CC3(CCC3)[C@@H]2C2CC2)c(-c2nnn[n-]2)c1 ZINC001607082481 1097507971 /nfs/dbraw/zinc/50/79/71/1097507971.db2.gz WZOJDUXRRPOJBJ-AWEZNQCLSA-N -1 3 326.360 2.544 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CC3(CCC3)[C@@H]2C2CC2)c(-c2nn[n-]n2)c1 ZINC001607082481 1097507976 /nfs/dbraw/zinc/50/79/76/1097507976.db2.gz WZOJDUXRRPOJBJ-AWEZNQCLSA-N -1 3 326.360 2.544 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCc1c[nH]c2ccccc12 ZINC001607080602 1097508485 /nfs/dbraw/zinc/50/84/85/1097508485.db2.gz UMMSWBGARXTMHS-UHFFFAOYSA-N -1 3 349.354 2.911 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCc1c[nH]c2ccccc12 ZINC001607080602 1097508492 /nfs/dbraw/zinc/50/84/92/1097508492.db2.gz UMMSWBGARXTMHS-UHFFFAOYSA-N -1 3 349.354 2.911 20 5 EFBDHM O=[N+]([O-])c1ccc(F)cc1OCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001607081107 1097508503 /nfs/dbraw/zinc/50/85/03/1097508503.db2.gz CBUMVRZMSITGTA-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1ccc(F)cc1OCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001607081107 1097508509 /nfs/dbraw/zinc/50/85/09/1097508509.db2.gz CBUMVRZMSITGTA-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CC(C3CCCCC3)C2)c(-c2nnn[n-]2)c1 ZINC001607082534 1097508558 /nfs/dbraw/zinc/50/85/58/1097508558.db2.gz ZFOCKDAQBOBIDF-UHFFFAOYSA-N -1 3 328.376 2.791 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CC(C3CCCCC3)C2)c(-c2nn[n-]n2)c1 ZINC001607082534 1097508564 /nfs/dbraw/zinc/50/85/64/1097508564.db2.gz ZFOCKDAQBOBIDF-UHFFFAOYSA-N -1 3 328.376 2.791 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CCC[C@H](C3CCC3)C2)c(-c2nnn[n-]2)c1 ZINC001607081370 1097508666 /nfs/dbraw/zinc/50/86/66/1097508666.db2.gz IPNIJPVVXYPDFG-LBPRGKRZSA-N -1 3 328.376 2.791 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CCC[C@H](C3CCC3)C2)c(-c2nn[n-]n2)c1 ZINC001607081370 1097508669 /nfs/dbraw/zinc/50/86/69/1097508669.db2.gz IPNIJPVVXYPDFG-LBPRGKRZSA-N -1 3 328.376 2.791 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCCc1cc2ccccc2[nH]1 ZINC001607082816 1097508738 /nfs/dbraw/zinc/50/87/38/1097508738.db2.gz UCUXXWHRHAYUGK-UHFFFAOYSA-N -1 3 349.354 2.911 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCCc1cc2ccccc2[nH]1 ZINC001607082816 1097508741 /nfs/dbraw/zinc/50/87/41/1097508741.db2.gz UCUXXWHRHAYUGK-UHFFFAOYSA-N -1 3 349.354 2.911 20 5 EFBDHM O=[N+]([O-])c1ccc(CCSc2cc(-c3nnn[n-]3)ccn2)cc1 ZINC001607081137 1097509071 /nfs/dbraw/zinc/50/90/71/1097509071.db2.gz DHOJIUUOPQBNHJ-UHFFFAOYSA-N -1 3 328.357 2.505 20 5 EFBDHM O=[N+]([O-])c1ccc(CCSc2cc(-c3nn[n-]n3)ccn2)cc1 ZINC001607081137 1097509073 /nfs/dbraw/zinc/50/90/73/1097509073.db2.gz DHOJIUUOPQBNHJ-UHFFFAOYSA-N -1 3 328.357 2.505 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CSCC[C@@H]1CCCCO1 ZINC001607083425 1097509433 /nfs/dbraw/zinc/50/94/33/1097509433.db2.gz FRRLIQMKSGMSSA-NSHDSACASA-N -1 3 349.416 2.967 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1CSCC[C@@H]1CCCCO1 ZINC001607083425 1097509437 /nfs/dbraw/zinc/50/94/37/1097509437.db2.gz FRRLIQMKSGMSSA-NSHDSACASA-N -1 3 349.416 2.967 20 5 EFBDHM O=[N+]([O-])c1cnc(NCc2ccc(-c3nnn[n-]3)c(Cl)c2)c(F)c1 ZINC001607086565 1097509524 /nfs/dbraw/zinc/50/95/24/1097509524.db2.gz OKWJVRPFRCJUDF-UHFFFAOYSA-N -1 3 349.713 2.575 20 5 EFBDHM O=[N+]([O-])c1cnc(NCc2ccc(-c3nn[n-]n3)c(Cl)c2)c(F)c1 ZINC001607086565 1097509531 /nfs/dbraw/zinc/50/95/31/1097509531.db2.gz OKWJVRPFRCJUDF-UHFFFAOYSA-N -1 3 349.713 2.575 20 5 EFBDHM O=[N+]([O-])c1ccc(Oc2cnc(Cl)c(F)c2)c(-c2nnn[n-]2)c1 ZINC001607084135 1097509632 /nfs/dbraw/zinc/50/96/32/1097509632.db2.gz ZMPMMDNSYXRBOV-UHFFFAOYSA-N -1 3 336.670 2.755 20 5 EFBDHM O=[N+]([O-])c1ccc(Oc2cnc(Cl)c(F)c2)c(-c2nn[n-]n2)c1 ZINC001607084135 1097509638 /nfs/dbraw/zinc/50/96/38/1097509638.db2.gz ZMPMMDNSYXRBOV-UHFFFAOYSA-N -1 3 336.670 2.755 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N[C@@H](C1CCC1)[C@H]1CCCO1 ZINC001607083059 1097509739 /nfs/dbraw/zinc/50/97/39/1097509739.db2.gz VSITVSXMUBQSKH-CABCVRRESA-N -1 3 344.375 2.535 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N[C@@H](C1CCC1)[C@H]1CCCO1 ZINC001607083059 1097509745 /nfs/dbraw/zinc/50/97/45/1097509745.db2.gz VSITVSXMUBQSKH-CABCVRRESA-N -1 3 344.375 2.535 20 5 EFBDHM O=[N+]([O-])c1cnc(NCC2CCC3(CC3)CC2)c(-c2nnn[n-]2)c1 ZINC001607085860 1097509870 /nfs/dbraw/zinc/50/98/70/1097509870.db2.gz ACHKFIDYQGOVFR-UHFFFAOYSA-N -1 3 329.364 2.552 20 5 EFBDHM O=[N+]([O-])c1cnc(NCC2CCC3(CC3)CC2)c(-c2nn[n-]n2)c1 ZINC001607085860 1097509876 /nfs/dbraw/zinc/50/98/76/1097509876.db2.gz ACHKFIDYQGOVFR-UHFFFAOYSA-N -1 3 329.364 2.552 20 5 EFBDHM O=[N+]([O-])c1ccnn1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC001607085529 1097510301 /nfs/dbraw/zinc/51/03/01/1097510301.db2.gz UTIWURULXZUYAK-UHFFFAOYSA-N -1 3 347.338 2.687 20 5 EFBDHM O=[N+]([O-])c1ccnn1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC001607085529 1097510306 /nfs/dbraw/zinc/51/03/06/1097510306.db2.gz UTIWURULXZUYAK-UHFFFAOYSA-N -1 3 347.338 2.687 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CCc2cc(F)ccc21 ZINC001607083812 1097510418 /nfs/dbraw/zinc/51/04/18/1097510418.db2.gz NTIDJHXKYLYUGK-UHFFFAOYSA-N -1 3 326.291 2.608 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CCc2cc(F)ccc21 ZINC001607083812 1097510423 /nfs/dbraw/zinc/51/04/23/1097510423.db2.gz NTIDJHXKYLYUGK-UHFFFAOYSA-N -1 3 326.291 2.608 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC1CC(Cl)(Cl)C1 ZINC001607083270 1097510461 /nfs/dbraw/zinc/51/04/61/1097510461.db2.gz CZYCZMJIJDJRIX-UHFFFAOYSA-N -1 3 329.147 2.523 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NC1CC(Cl)(Cl)C1 ZINC001607083270 1097510465 /nfs/dbraw/zinc/51/04/65/1097510465.db2.gz CZYCZMJIJDJRIX-UHFFFAOYSA-N -1 3 329.147 2.523 20 5 EFBDHM O=[N+]([O-])c1ccc(Nc2ccc3c(c2)CCOC3)c(-c2nnn[n-]2)c1 ZINC001607083014 1097510518 /nfs/dbraw/zinc/51/05/18/1097510518.db2.gz YYDRPXABYORNES-UHFFFAOYSA-N -1 3 338.327 2.591 20 5 EFBDHM O=[N+]([O-])c1ccc(Nc2ccc3c(c2)CCOC3)c(-c2nn[n-]n2)c1 ZINC001607083014 1097510521 /nfs/dbraw/zinc/51/05/21/1097510521.db2.gz YYDRPXABYORNES-UHFFFAOYSA-N -1 3 338.327 2.591 20 5 EFBDHM Cc1ccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1C(=O)[O-] ZINC001607780539 1097731260 /nfs/dbraw/zinc/73/12/60/1097731260.db2.gz IHIKEUYAJHUUEV-UHFFFAOYSA-N -1 3 344.371 2.635 20 5 EFBDHM C[C@@H](c1ccco1)N(C)Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609142447 1098166760 /nfs/dbraw/zinc/16/67/60/1098166760.db2.gz ZPHAAMJGEZQHQL-JTQLQIEISA-N -1 3 328.332 2.561 20 5 EFBDHM C[C@@H](c1ccco1)N(C)Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609142447 1098166762 /nfs/dbraw/zinc/16/67/62/1098166762.db2.gz ZPHAAMJGEZQHQL-JTQLQIEISA-N -1 3 328.332 2.561 20 5 EFBDHM CN1CCc2ccc(Nc3ccc(-c4nnn[n-]4)c([N+](=O)[O-])c3)cc21 ZINC001609285597 1098237476 /nfs/dbraw/zinc/23/74/76/1098237476.db2.gz HVRCJETYNCZIDC-UHFFFAOYSA-N -1 3 337.343 2.511 20 5 EFBDHM COCc1ccc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC001609331209 1098249240 /nfs/dbraw/zinc/24/92/40/1098249240.db2.gz TUXDVOWDHNOINZ-UHFFFAOYSA-N -1 3 326.316 2.665 20 5 EFBDHM COCc1ccc(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC001609331209 1098249243 /nfs/dbraw/zinc/24/92/43/1098249243.db2.gz TUXDVOWDHNOINZ-UHFFFAOYSA-N -1 3 326.316 2.665 20 5 EFBDHM COc1cc(-c2nnn[n-]2)ccc1COc1c(F)cccc1[N+](=O)[O-] ZINC001609333805 1098251194 /nfs/dbraw/zinc/25/11/94/1098251194.db2.gz ZBAGUAGAPHIYNV-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1cc(-c2nn[n-]n2)ccc1COc1c(F)cccc1[N+](=O)[O-] ZINC001609333805 1098251198 /nfs/dbraw/zinc/25/11/98/1098251198.db2.gz ZBAGUAGAPHIYNV-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1cc(OCc2c(F)cccc2[N+](=O)[O-])cc(-c2nnn[n-]2)c1 ZINC001609348447 1098260345 /nfs/dbraw/zinc/26/03/45/1098260345.db2.gz UZWDUZAJEXNOIF-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1cc(OCc2c(F)cccc2[N+](=O)[O-])cc(-c2nn[n-]n2)c1 ZINC001609348447 1098260352 /nfs/dbraw/zinc/26/03/52/1098260352.db2.gz UZWDUZAJEXNOIF-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1ccccc1Sc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001609364442 1098267494 /nfs/dbraw/zinc/26/74/94/1098267494.db2.gz OFQLLSGDPUTFQH-UHFFFAOYSA-N -1 3 329.341 2.935 20 5 EFBDHM COc1ccccc1Sc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001609364442 1098267499 /nfs/dbraw/zinc/26/74/99/1098267499.db2.gz OFQLLSGDPUTFQH-UHFFFAOYSA-N -1 3 329.341 2.935 20 5 EFBDHM Cc1cc(CNc2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)cc(C)n1 ZINC001609402354 1098291865 /nfs/dbraw/zinc/29/18/65/1098291865.db2.gz ZTDZUJAOFLUQFF-UHFFFAOYSA-N -1 3 339.359 2.707 20 5 EFBDHM Cc1cc(CNc2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)cc(C)n1 ZINC001609402354 1098291871 /nfs/dbraw/zinc/29/18/71/1098291871.db2.gz ZTDZUJAOFLUQFF-UHFFFAOYSA-N -1 3 339.359 2.707 20 5 EFBDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC001609416302 1098302686 /nfs/dbraw/zinc/30/26/86/1098302686.db2.gz UQLURDWLTVMMBW-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC001609416302 1098302694 /nfs/dbraw/zinc/30/26/94/1098302694.db2.gz UQLURDWLTVMMBW-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1-c1nnn[n-]1 ZINC001609419522 1098305461 /nfs/dbraw/zinc/30/54/61/1098305461.db2.gz MLVQFWFMJDTOBC-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1-c1nn[n-]n1 ZINC001609419522 1098305465 /nfs/dbraw/zinc/30/54/65/1098305465.db2.gz MLVQFWFMJDTOBC-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1-c1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC001609428241 1098314155 /nfs/dbraw/zinc/31/41/55/1098314155.db2.gz OXYSWDRHCSBOQC-UHFFFAOYSA-N -1 3 349.310 2.800 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1-c1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC001609428241 1098314162 /nfs/dbraw/zinc/31/41/62/1098314162.db2.gz OXYSWDRHCSBOQC-UHFFFAOYSA-N -1 3 349.310 2.800 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@H](c2ccccc2)C1 ZINC001609599831 1098394655 /nfs/dbraw/zinc/39/46/55/1098394655.db2.gz CYKJDZBORFCWIY-AWEZNQCLSA-N -1 3 336.355 2.769 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@H](c2ccccc2)C1 ZINC001609599831 1098394661 /nfs/dbraw/zinc/39/46/61/1098394661.db2.gz CYKJDZBORFCWIY-AWEZNQCLSA-N -1 3 336.355 2.769 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@@H](c2ccccc2)C1 ZINC001609599832 1098394995 /nfs/dbraw/zinc/39/49/95/1098394995.db2.gz CYKJDZBORFCWIY-CQSZACIVSA-N -1 3 336.355 2.769 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@@H](c2ccccc2)C1 ZINC001609599832 1098395001 /nfs/dbraw/zinc/39/50/01/1098395001.db2.gz CYKJDZBORFCWIY-CQSZACIVSA-N -1 3 336.355 2.769 20 5 EFBDHM O=[N+]([O-])c1cccc(F)c1OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001609602969 1098395516 /nfs/dbraw/zinc/39/55/16/1098395516.db2.gz RRMHIHRUFVKVSA-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1cccc(F)c1OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001609602969 1098395522 /nfs/dbraw/zinc/39/55/22/1098395522.db2.gz RRMHIHRUFVKVSA-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1ccc(Cl)cc1C=Cc1ccncc1-c1nnn[n-]1 ZINC001609601330 1098395551 /nfs/dbraw/zinc/39/55/51/1098395551.db2.gz IGBZWPCXZCLNGZ-OWOJBTEDSA-N -1 3 328.719 2.994 20 5 EFBDHM O=[N+]([O-])c1ccc(Cl)cc1C=Cc1ccncc1-c1nn[n-]n1 ZINC001609601330 1098395557 /nfs/dbraw/zinc/39/55/57/1098395557.db2.gz IGBZWPCXZCLNGZ-OWOJBTEDSA-N -1 3 328.719 2.994 20 5 EFBDHM CN(CCOc1cccc(C(=O)[O-])c1[N+](=O)[O-])Cc1ccccc1 ZINC001610116769 1098551162 /nfs/dbraw/zinc/55/11/62/1098551162.db2.gz DKQNIKRDMOYHJC-UHFFFAOYSA-N -1 3 330.340 2.804 20 5 EFBDHM O=C([O-])[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC001610718916 1098845763 /nfs/dbraw/zinc/84/57/63/1098845763.db2.gz IJTBHZWJRXYUKZ-ZDUSSCGKSA-N -1 3 333.369 2.671 20 5 EFBDHM O=C([O-])COc1ccc(CN2CCC[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC001610787296 1098886272 /nfs/dbraw/zinc/88/62/72/1098886272.db2.gz ZUWLONPOZZYRTQ-CQSZACIVSA-N -1 3 334.372 2.680 20 5 EFBDHM Cc1cc(N(C)CCN(C)C(=O)c2ccccc2[O-])ccc1[N+](=O)[O-] ZINC001105331209 1099081653 /nfs/dbraw/zinc/08/16/53/1099081653.db2.gz USSLCZBZBFJNMM-UHFFFAOYSA-N -1 3 343.383 2.817 20 5 EFBDHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000192804177 1108252183 /nfs/dbraw/zinc/25/21/83/1108252183.db2.gz DTDKAVZNIQUAPN-UHFFFAOYSA-N -1 3 328.296 2.982 20 5 EFBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)CC(C)=C(C)C ZINC001106906864 1112699679 /nfs/dbraw/zinc/69/96/79/1112699679.db2.gz ZFYZZRZJVRWVRB-UHFFFAOYSA-N -1 3 336.392 2.702 20 5 EFBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C1CC2(CCC2)C1 ZINC001106912951 1113036320 /nfs/dbraw/zinc/03/63/20/1113036320.db2.gz DZKGLCQOVSMCSX-UHFFFAOYSA-N -1 3 348.403 2.536 20 5 EFBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cn(-c2ccccc2)nn1 ZINC000071971391 1118975785 /nfs/dbraw/zinc/97/57/85/1118975785.db2.gz DCNBZSWLXRRHFN-UHFFFAOYSA-N -1 3 327.275 2.567 20 5 EFBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C12CCC(CC1)C2 ZINC001106994985 1119235817 /nfs/dbraw/zinc/23/58/17/1119235817.db2.gz PYYIYHCNPLMTLX-UHFFFAOYSA-N -1 3 348.403 2.536 20 5 EFBDHM O=C(CC1CCCCC1)NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107022328 1119802984 /nfs/dbraw/zinc/80/29/84/1119802984.db2.gz COPJQQCDOLGXBV-SNAWJCMRSA-N -1 3 348.403 2.750 20 5 EFBDHM CC[C@@H](CSC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000181615949 529531761 /nfs/dbraw/zinc/53/17/61/529531761.db2.gz JPLBPEPEHUOPLZ-QMMMGPOBSA-N -1 3 338.838 2.668 20 5 EFBDHM C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@H](c1ccccc1)N(C)C ZINC000436895477 299244971 /nfs/dbraw/zinc/24/49/71/299244971.db2.gz VFVLFWWETQAJFN-YVEFUNNKSA-N -1 3 343.383 2.722 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCC[C@H](C)[C@H]1C ZINC000036390002 213094332 /nfs/dbraw/zinc/09/43/32/213094332.db2.gz AKQRJPFTDGYASR-DMDPSCGWSA-N -1 3 342.417 2.706 20 5 EFBDHM O=C(Nc1ccc2nc(C3CC3)oc2c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000175278953 239263947 /nfs/dbraw/zinc/26/39/47/239263947.db2.gz GMTJGBVZBCYQBD-UHFFFAOYSA-N -1 3 340.295 2.966 20 5 EFBDHM O=C(Nc1ccc(OCC2CC2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193580722 240220838 /nfs/dbraw/zinc/22/08/38/240220838.db2.gz QRIJOZNAABYDHP-UHFFFAOYSA-N -1 3 329.312 2.737 20 5 EFBDHM Cn1nc(C2CCCCC2)cc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193727174 240286122 /nfs/dbraw/zinc/28/61/22/240286122.db2.gz VFHDPAJRCLTEOB-UHFFFAOYSA-N -1 3 345.359 2.729 20 5 EFBDHM Cc1nsc([N-]C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)n1 ZINC000266568285 248363438 /nfs/dbraw/zinc/36/34/38/248363438.db2.gz OQXPBNRMDAKOFX-UHFFFAOYSA-N -1 3 347.400 2.997 20 5 EFBDHM CC(C)(CCC(=O)Nc1cc(Br)ccc1[O-])[N+](=O)[O-] ZINC000294799350 295229730 /nfs/dbraw/zinc/22/97/30/295229730.db2.gz BHXHUXKLNHLVAT-UHFFFAOYSA-N -1 3 331.166 2.929 20 5 EFBDHM COC(=O)c1sccc1[N-]C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000435670335 249398028 /nfs/dbraw/zinc/39/80/28/249398028.db2.gz FNESJWIZODJQHX-UHFFFAOYSA-N -1 3 336.325 2.704 20 5 EFBDHM CN(CCCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)Cc1ccccc1 ZINC000009984058 211137928 /nfs/dbraw/zinc/13/79/28/211137928.db2.gz CXRKNORCQCZJBA-UHFFFAOYSA-N -1 3 343.383 2.552 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-][C@H]2CCCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000442750341 250110707 /nfs/dbraw/zinc/11/07/07/250110707.db2.gz PNHLFMIEIIMGMF-NSHDSACASA-N -1 3 342.417 2.851 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCC[C@H](C)CC1 ZINC000442784220 250117371 /nfs/dbraw/zinc/11/73/71/250117371.db2.gz PDLPNZKEDAIOSQ-NWDGAFQWSA-N -1 3 342.417 2.851 20 5 EFBDHM COc1ccc(NC(=O)CCNc2ccccc2[N+](=O)[O-])c([O-])c1 ZINC000443562580 250206477 /nfs/dbraw/zinc/20/64/77/250206477.db2.gz WLFKUGZCOYEPCA-UHFFFAOYSA-N -1 3 331.328 2.750 20 5 EFBDHM CCCCCn1nc(C)cc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445017614 250374516 /nfs/dbraw/zinc/37/45/16/250374516.db2.gz GVGGJRMSRSGVPZ-UHFFFAOYSA-N -1 3 333.348 2.643 20 5 EFBDHM COc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1OC(C)C ZINC000445165714 250391784 /nfs/dbraw/zinc/39/17/84/250391784.db2.gz ZSNAOKVIDIBSNT-UHFFFAOYSA-N -1 3 347.327 2.744 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1[N+](=O)[O-] ZINC000005126475 210394600 /nfs/dbraw/zinc/39/46/00/210394600.db2.gz JCPYMOFGKQGVAJ-UHFFFAOYSA-N -1 3 326.305 2.543 20 5 EFBDHM CS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000117376188 221060228 /nfs/dbraw/zinc/06/02/28/221060228.db2.gz JQXLGBQMBZIOEH-VXGBXAGGSA-N -1 3 344.458 2.856 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCc3occc32)c(F)c1 ZINC000126615161 141368329 /nfs/dbraw/zinc/36/83/29/141368329.db2.gz TYMDJFUEDMMKFP-GFCCVEGCSA-N -1 3 340.332 2.683 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-]CCc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000343474025 142005238 /nfs/dbraw/zinc/00/52/38/142005238.db2.gz WSZNFXFUQNPBSR-UHFFFAOYSA-N -1 3 340.426 2.794 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CSc2ccccc21 ZINC000344567511 142041389 /nfs/dbraw/zinc/04/13/89/142041389.db2.gz KBUARDXBHZFKNZ-NSHDSACASA-N -1 3 336.394 2.720 20 5 EFBDHM COc1cc(C)c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(C)c1C ZINC000345904570 142115935 /nfs/dbraw/zinc/11/59/35/142115935.db2.gz LZSVUVJZHLKHFD-UHFFFAOYSA-N -1 3 331.328 2.882 20 5 EFBDHM COC(=O)c1cc([N-]C(=O)c2cc(C(C)=O)cs2)cc([N+](=O)[O-])c1 ZINC000346264550 142179379 /nfs/dbraw/zinc/17/93/79/142179379.db2.gz AEANRYDSVNVWQV-UHFFFAOYSA-N -1 3 348.336 2.898 20 5 EFBDHM COc1ccc([N-]C(=O)c2cc3nccnc3cc2F)c([N+](=O)[O-])c1 ZINC000347982774 142303538 /nfs/dbraw/zinc/30/35/38/142303538.db2.gz FDXCBHDILUOJSN-UHFFFAOYSA-N -1 3 342.286 2.938 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H]1CCCC[C@@H]1C ZINC000354771004 146783812 /nfs/dbraw/zinc/78/38/12/146783812.db2.gz OIEDZVRITKYFNO-NWDGAFQWSA-N -1 3 342.417 2.708 20 5 EFBDHM Cc1ccccc1-c1cc(=NC(=O)Cc2cccc([N+](=O)[O-])c2)[nH][n-]1 ZINC000342147501 145071469 /nfs/dbraw/zinc/07/14/69/145071469.db2.gz FCWZOUOIKWCXQQ-UHFFFAOYSA-N -1 3 336.351 2.896 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)CCc2ccco2)cc1[N+](=O)[O-] ZINC000342690951 145173142 /nfs/dbraw/zinc/17/31/42/145173142.db2.gz XEOAQXQQSLOFOL-SECBINFHSA-N -1 3 344.414 2.857 20 5 EFBDHM C[C@H](CN(C)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1nnn[n-]1 ZINC000342837467 145205170 /nfs/dbraw/zinc/20/51/70/145205170.db2.gz DKAGZISVEGJTRY-ZCFIWIBFSA-N -1 3 331.163 2.655 20 5 EFBDHM C[C@H](CN(C)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1nn[n-]n1 ZINC000342837467 145205171 /nfs/dbraw/zinc/20/51/71/145205171.db2.gz DKAGZISVEGJTRY-ZCFIWIBFSA-N -1 3 331.163 2.655 20 5 EFBDHM CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc([O-])c(F)c1 ZINC000343808458 145299628 /nfs/dbraw/zinc/29/96/28/145299628.db2.gz MKIWNLKHQJVVLL-UHFFFAOYSA-N -1 3 334.303 2.768 20 5 EFBDHM O=c1cc(C=Cc2csc([N+](=O)[O-])c2)nc(-c2ccncc2)[n-]1 ZINC000352007688 146262925 /nfs/dbraw/zinc/26/29/25/146262925.db2.gz MJZPHCRHLGDATN-UPHRSURJSA-N -1 3 326.337 2.972 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1C[C@@H]1Cc1ccccc1 ZINC000352934576 146352554 /nfs/dbraw/zinc/35/25/54/146352554.db2.gz HOFIYSRMTJPYEE-KBPBESRZSA-N -1 3 332.381 2.504 20 5 EFBDHM COc1ccc(CNC(=O)c2cc([O-])ccc2Cl)cc1[N+](=O)[O-] ZINC000352941878 146354430 /nfs/dbraw/zinc/35/44/30/146354430.db2.gz MOOANHIMQQCIAX-UHFFFAOYSA-N -1 3 336.731 2.892 20 5 EFBDHM Cc1ccc(C(C)(C)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cn1 ZINC000353000953 146370901 /nfs/dbraw/zinc/37/09/01/146370901.db2.gz LRQSWBIUCRNPOX-UHFFFAOYSA-N -1 3 335.385 2.512 20 5 EFBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1ncn(-c2ccccc2)n1 ZINC000353007755 146372603 /nfs/dbraw/zinc/37/26/03/146372603.db2.gz KQRSILARGVDSFE-UHFFFAOYSA-N -1 3 327.275 2.567 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC23CCCCC3)c(F)c1 ZINC000356136566 147157218 /nfs/dbraw/zinc/15/72/18/147157218.db2.gz YOJMNGSIGYUOHP-CYBMUJFWSA-N -1 3 328.365 2.735 20 5 EFBDHM Cc1cc(NCCCNC(=O)c2cccc([O-])c2)c(F)cc1[N+](=O)[O-] ZINC000359904998 148219781 /nfs/dbraw/zinc/21/97/81/148219781.db2.gz UMODMCBPBOCKIA-UHFFFAOYSA-N -1 3 347.346 2.980 20 5 EFBDHM CSc1cccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)n1 ZINC000360237498 148307654 /nfs/dbraw/zinc/30/76/54/148307654.db2.gz ZFSRWJKNSZSPTP-UHFFFAOYSA-N -1 3 329.341 2.840 20 5 EFBDHM C[C@H]1CC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000360355209 148339945 /nfs/dbraw/zinc/33/99/45/148339945.db2.gz YBILRHIXGMLVIJ-UWVGGRQHSA-N -1 3 332.809 2.963 20 5 EFBDHM COc1cc(CN[C@H]2CN(C)Cc3ccccc32)c([N+](=O)[O-])cc1[O-] ZINC000374335652 151325970 /nfs/dbraw/zinc/32/59/70/151325970.db2.gz ZUJLWWIUHAYPFF-HNNXBMFYSA-N -1 3 343.383 2.585 20 5 EFBDHM C[C@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)N(C)Cc1ccccc1 ZINC000160317519 225386928 /nfs/dbraw/zinc/38/69/28/225386928.db2.gz BJJJOMUJVSGFAY-CYBMUJFWSA-N -1 3 343.383 2.551 20 5 EFBDHM Cc1ccc([C@H](CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)N(C)C)cc1 ZINC000164401162 226070125 /nfs/dbraw/zinc/07/01/25/226070125.db2.gz VNCKZAIXKQCCKR-INIZCTEOSA-N -1 3 343.383 2.642 20 5 EFBDHM O=[N+]([O-])c1ccc(C[N-]S(=O)(=O)c2ccccc2F)c(Cl)c1 ZINC000184251587 265012008 /nfs/dbraw/zinc/01/20/08/265012008.db2.gz MFMJQFADNDYDHV-UHFFFAOYSA-N -1 3 344.751 2.866 20 5 EFBDHM CCOc1ccc([N-]C(=O)c2n[nH]cc2[N+](=O)[O-])c2ncccc12 ZINC000185682313 265047004 /nfs/dbraw/zinc/04/70/04/265047004.db2.gz PHVDADQAQMISTH-UHFFFAOYSA-N -1 3 327.300 2.517 20 5 EFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000186189490 265057912 /nfs/dbraw/zinc/05/79/12/265057912.db2.gz CJJOPFGLEIZRSR-JOYOIKCWSA-N -1 3 346.380 2.600 20 5 EFBDHM CCC[C@H](CC)[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000186712700 265075380 /nfs/dbraw/zinc/07/53/80/265075380.db2.gz BJWPJTISQDHZIV-VIFPVBQESA-N -1 3 334.369 2.600 20 5 EFBDHM COc1c(F)cc(S(=O)(=O)[N-]CC2(C)CCCC2)cc1[N+](=O)[O-] ZINC000186961458 265082116 /nfs/dbraw/zinc/08/21/16/265082116.db2.gz BKSAUXXMVPZVKX-UHFFFAOYSA-N -1 3 346.380 2.601 20 5 EFBDHM CC[C@@](C)(CNCc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)[O-] ZINC000277976998 267313005 /nfs/dbraw/zinc/31/30/05/267313005.db2.gz MBPWROCWGWQDAN-AWEZNQCLSA-N -1 3 332.303 2.787 20 5 EFBDHM CC[C@@H]1CCc2nc([N-]C(=O)c3nn(C)cc3[N+](=O)[O-])sc2C1 ZINC000271131759 273100456 /nfs/dbraw/zinc/10/04/56/273100456.db2.gz QHRUKUDHQRWOSH-MRVPVSSYSA-N -1 3 335.389 2.552 20 5 EFBDHM CCc1ccc([C@H](O)CNCc2cc(OC)c([O-])cc2[N+](=O)[O-])cc1 ZINC000285545717 274022459 /nfs/dbraw/zinc/02/24/59/274022459.db2.gz QHUGTZYIJFDZBY-QGZVFWFLSA-N -1 3 346.383 2.695 20 5 EFBDHM CC(C)c1ccc([C@H](N)CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000285663205 274048227 /nfs/dbraw/zinc/04/82/27/274048227.db2.gz HWALEKXCIANXKN-OAHLLOKOSA-N -1 3 343.383 2.854 20 5 EFBDHM CCCN(CCN1CCCCC1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000286168204 274146346 /nfs/dbraw/zinc/14/63/46/274146346.db2.gz KAMHJRMFZRACEY-UHFFFAOYSA-N -1 3 335.404 2.639 20 5 EFBDHM CC(C)SCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000286890650 274294291 /nfs/dbraw/zinc/29/42/91/274294291.db2.gz ZZKAVCLVFRAOLH-UHFFFAOYSA-N -1 3 338.838 2.668 20 5 EFBDHM C[C@H]1C[C@H]1c1cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)n[nH]1 ZINC000287411150 274414693 /nfs/dbraw/zinc/41/46/93/274414693.db2.gz QZKWWQCCNNXYLZ-IONNQARKSA-N -1 3 326.316 2.570 20 5 EFBDHM COc1cc([N-]C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])ncn1 ZINC000338937719 277831570 /nfs/dbraw/zinc/83/15/70/277831570.db2.gz GURRXQSMZGLAHJ-UHFFFAOYSA-N -1 3 342.233 2.665 20 5 EFBDHM CC1CC([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000416416822 278514165 /nfs/dbraw/zinc/51/41/65/278514165.db2.gz MMCRZCBSEPTLCC-UHFFFAOYSA-N -1 3 338.307 2.690 20 5 EFBDHM CCn1cnnc1[N-]C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000356188315 288751571 /nfs/dbraw/zinc/75/15/71/288751571.db2.gz VGEOJXFWCGSPMZ-UHFFFAOYSA-N -1 3 338.327 2.521 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CC(C)(C)OC2(C)C)cc1[N+](=O)[O-] ZINC000126378018 293037127 /nfs/dbraw/zinc/03/71/27/293037127.db2.gz NLFRQMJIPIIESW-SNVBAGLBSA-N -1 3 348.446 2.589 20 5 EFBDHM Cc1cc(CN(C)C)cc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000130296197 293160498 /nfs/dbraw/zinc/16/04/98/293160498.db2.gz QDLFESGVPJHWMD-UHFFFAOYSA-N -1 3 329.356 2.923 20 5 EFBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(O)c1F ZINC000131520707 293199639 /nfs/dbraw/zinc/19/96/39/293199639.db2.gz UVFSYZTUKFPDHS-UHFFFAOYSA-N -1 3 326.305 2.549 20 5 EFBDHM Cc1nsc([N-]C(=O)c2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000132683827 293234334 /nfs/dbraw/zinc/23/43/34/293234334.db2.gz KUOZUIZXKRJLGL-UHFFFAOYSA-N -1 3 343.162 2.770 20 5 EFBDHM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cncc(F)c1 ZINC000153479239 293377780 /nfs/dbraw/zinc/37/77/80/293377780.db2.gz LRKFTQRKHBYOPG-UHFFFAOYSA-N -1 3 333.275 2.543 20 5 EFBDHM COc1ccsc1S(=O)(=O)[N-][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000155409293 293470073 /nfs/dbraw/zinc/47/00/73/293470073.db2.gz FWCMPPNIBCTJDA-VIFPVBQESA-N -1 3 342.398 2.704 20 5 EFBDHM Cc1[nH]nc(C(=O)Nc2ccc([O-])c(COC(C)C)c2)c1[N+](=O)[O-] ZINC000290655257 294147977 /nfs/dbraw/zinc/14/79/77/294147977.db2.gz RESVDECPYUFWAK-UHFFFAOYSA-N -1 3 334.332 2.509 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2CC(F)(F)C2)cc1C ZINC000292204427 294611713 /nfs/dbraw/zinc/61/17/13/294611713.db2.gz GTYFORZXFMYJMC-UHFFFAOYSA-N -1 3 334.344 2.535 20 5 EFBDHM CCC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000295222371 295284428 /nfs/dbraw/zinc/28/44/28/295284428.db2.gz HPGWYIQEUHEMLK-UHFFFAOYSA-N -1 3 349.206 2.578 20 5 EFBDHM Cc1noc(C)c1[N-]C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000299529421 311093874 /nfs/dbraw/zinc/09/38/74/311093874.db2.gz QNOFWYGIHPVHHM-UHFFFAOYSA-N -1 3 334.288 2.977 20 5 EFBDHM CSc1nnc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000299539863 311095008 /nfs/dbraw/zinc/09/50/08/311095008.db2.gz OWZXYCPWSIXUQM-ZETCQYMHSA-N -1 3 339.402 2.554 20 5 EFBDHM CSc1n[n-]c(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 ZINC000299539863 311095009 /nfs/dbraw/zinc/09/50/09/311095009.db2.gz OWZXYCPWSIXUQM-ZETCQYMHSA-N -1 3 339.402 2.554 20 5 EFBDHM CSc1nc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)n[n-]1 ZINC000299539863 311095010 /nfs/dbraw/zinc/09/50/10/311095010.db2.gz OWZXYCPWSIXUQM-ZETCQYMHSA-N -1 3 339.402 2.554 20 5 EFBDHM Cc1cc(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cc(C)n1 ZINC000420700569 312385328 /nfs/dbraw/zinc/38/53/28/312385328.db2.gz PLPYWWJPTHAFRA-UHFFFAOYSA-N -1 3 349.412 2.702 20 5 EFBDHM CNc1nc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)ccc1[N+](=O)[O-] ZINC000456035042 313015075 /nfs/dbraw/zinc/01/50/75/313015075.db2.gz AMDDZYBJEZHXLX-SNVBAGLBSA-N -1 3 342.355 2.891 20 5 EFBDHM CN(CCc1cccc([N+](=O)[O-])c1)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459430040 313105036 /nfs/dbraw/zinc/10/50/36/313105036.db2.gz DIQMLDKNXMSMQX-UHFFFAOYSA-N -1 3 328.372 2.642 20 5 EFBDHM Cc1ccccc1C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000478161857 313249084 /nfs/dbraw/zinc/24/90/84/313249084.db2.gz FSCKBGXGIUEXRJ-UHFFFAOYSA-N -1 3 334.397 2.999 20 5 EFBDHM O=C(Nc1ccc(C(=O)C2CCC2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000490299154 313641187 /nfs/dbraw/zinc/64/11/87/313641187.db2.gz KMJUFONELGQYGI-UHFFFAOYSA-N -1 3 341.323 2.931 20 5 EFBDHM CC(C)(NC(=O)/C=C/c1cncc([O-])c1)c1ccccc1[N+](=O)[O-] ZINC000492801233 314130411 /nfs/dbraw/zinc/13/04/11/314130411.db2.gz QGAQWTFYKHXYKM-BQYQJAHWSA-N -1 3 327.340 2.760 20 5 EFBDHM C[C@H](Cc1ccsc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000516550217 315684567 /nfs/dbraw/zinc/68/45/67/315684567.db2.gz GRDYTHGNBPIVON-SECBINFHSA-N -1 3 344.389 2.705 20 5 EFBDHM Cc1ccc(CC[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])o1 ZINC000531683956 317300809 /nfs/dbraw/zinc/30/08/09/317300809.db2.gz GTSGUWIMPOLNSE-UHFFFAOYSA-N -1 3 338.385 2.634 20 5 EFBDHM O=C(NCc1ccc([O-])c(F)c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000532676241 317429582 /nfs/dbraw/zinc/42/95/82/317429582.db2.gz LFSWGFUOZCGUCP-UHFFFAOYSA-N -1 3 329.287 2.851 20 5 EFBDHM CC(C)(C)c1ccc([O-])c(NC(=O)c2ccnc(N)c2[N+](=O)[O-])c1 ZINC000547727717 318034529 /nfs/dbraw/zinc/03/45/29/318034529.db2.gz BDHKWMBGHXEQSU-UHFFFAOYSA-N -1 3 330.344 2.658 20 5 EFBDHM Cc1cc(Sc2n[n-]c(CO)n2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549169887 318168271 /nfs/dbraw/zinc/16/82/71/318168271.db2.gz AHLBEFBGEPRROP-UHFFFAOYSA-N -1 3 334.279 2.684 20 5 EFBDHM CC(=O)c1cccc(NC(=O)COc2ccccc2[N+](=O)[O-])c1[O-] ZINC000552286975 318251444 /nfs/dbraw/zinc/25/14/44/318251444.db2.gz BNOZGVNIEOMDFK-UHFFFAOYSA-N -1 3 330.296 2.521 20 5 EFBDHM O=C([O-])[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000566219975 319048851 /nfs/dbraw/zinc/04/88/51/319048851.db2.gz IJGMHRDQTZZKPH-UONOGXRCSA-N -1 3 332.381 2.957 20 5 EFBDHM CC(C)CN(CCC(=O)[O-])Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000567742382 319206163 /nfs/dbraw/zinc/20/61/63/319206163.db2.gz CAGIIWNWDPYQKW-UHFFFAOYSA-N -1 3 348.359 2.578 20 5 EFBDHM O=C([O-])c1cc(N2CCN(C3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000567981522 319233191 /nfs/dbraw/zinc/23/31/91/319233191.db2.gz NJTHMJQCVHYZCZ-UHFFFAOYSA-N -1 3 333.388 2.748 20 5 EFBDHM CC(C)CN1CCCC[C@H]1CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000569344660 319371872 /nfs/dbraw/zinc/37/18/72/319371872.db2.gz VKFJSFZLVRAQBG-LBPRGKRZSA-N -1 3 336.392 2.610 20 5 EFBDHM C[C@H](c1ccccc1[N+](=O)[O-])N1CCC([C@@H]2OCC[C@@H]2C(=O)[O-])CC1 ZINC000571219338 319552452 /nfs/dbraw/zinc/55/24/52/319552452.db2.gz CYAXYZAHHAKRRI-PVUWLOKVSA-N -1 3 348.399 2.858 20 5 EFBDHM CN(C)[C@@H](CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000576589128 320030422 /nfs/dbraw/zinc/03/04/22/320030422.db2.gz ZDVJGILJZSQHDZ-AWEZNQCLSA-N -1 3 348.334 2.542 20 5 EFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CC(C2CC2)C2CC2)c1[N+](=O)[O-] ZINC000577322237 320098702 /nfs/dbraw/zinc/09/87/02/320098702.db2.gz HCDUPPHLXNAJAL-UHFFFAOYSA-N -1 3 338.429 2.926 20 5 EFBDHM C[C@@H](Nc1nccc(C(=O)[O-])c1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000577955495 320159880 /nfs/dbraw/zinc/15/98/80/320159880.db2.gz VYBMLCVRZRDBKJ-BXUZGUMPSA-N -1 3 344.371 2.791 20 5 EFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C)c2ccccn2)c1[N+](=O)[O-] ZINC000189800343 533706508 /nfs/dbraw/zinc/70/65/08/533706508.db2.gz ATMAYZLTHWDKLF-LBPRGKRZSA-N -1 3 335.385 2.646 20 5 EFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CC1 ZINC000162721996 473374183 /nfs/dbraw/zinc/37/41/83/473374183.db2.gz YUCFFRZZZAAKRH-ZETCQYMHSA-N -1 3 338.307 2.690 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-][C@H](C)c2ccsc2)c([N+](=O)[O-])c1 ZINC000619752432 479874871 /nfs/dbraw/zinc/87/48/71/479874871.db2.gz ZSVRLNVHDYCKFS-SECBINFHSA-N -1 3 342.398 2.704 20 5 EFBDHM COc1c(F)cc(S(=O)(=O)[N-]CC2=CCCCC2)cc1[N+](=O)[O-] ZINC000451635042 478134993 /nfs/dbraw/zinc/13/49/93/478134993.db2.gz UGVWKQHOSDWFJP-UHFFFAOYSA-N -1 3 344.364 2.521 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@H]1CCCc2ccccc21 ZINC000012943088 471806625 /nfs/dbraw/zinc/80/66/25/471806625.db2.gz HYLMCSDDGWWMIW-CQSZACIVSA-N -1 3 346.408 2.993 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCCOC1CCCCC1 ZINC000015359759 471901429 /nfs/dbraw/zinc/90/14/29/471901429.db2.gz VSZVIFVMDRWDSL-UHFFFAOYSA-N -1 3 342.417 2.613 20 5 EFBDHM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000016087826 471926021 /nfs/dbraw/zinc/92/60/21/471926021.db2.gz PRJGQGMJQOMZQY-VIFPVBQESA-N -1 3 342.323 2.913 20 5 EFBDHM Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c([O-])c1 ZINC000067105752 471993585 /nfs/dbraw/zinc/99/35/85/471993585.db2.gz ZITSJOPLFNPPQJ-UHFFFAOYSA-N -1 3 330.296 2.632 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-]CCC2=CCCCC2)c([N+](=O)[O-])c1 ZINC000023391194 472031741 /nfs/dbraw/zinc/03/17/41/472031741.db2.gz GHKJJQATPQEHFR-UHFFFAOYSA-N -1 3 340.401 2.772 20 5 EFBDHM O=C([N-]c1nncs1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000054194697 472066890 /nfs/dbraw/zinc/06/68/90/472066890.db2.gz UWFLDUFETDVNFI-UHFFFAOYSA-N -1 3 333.373 2.689 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc(Cl)c2)c(F)c1 ZINC000055244799 472157457 /nfs/dbraw/zinc/15/74/57/472157457.db2.gz YWRLVGUHEMEIFR-UHFFFAOYSA-N -1 3 344.751 2.866 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2F)c(Cl)c1 ZINC000055954483 472262449 /nfs/dbraw/zinc/26/24/49/472262449.db2.gz HGBKWGGLNMQRSY-UHFFFAOYSA-N -1 3 344.751 2.866 20 5 EFBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000055972879 472266172 /nfs/dbraw/zinc/26/61/72/472266172.db2.gz OFHNECVAKWNKFY-NSHDSACASA-N -1 3 338.360 2.816 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H](C)c1ccccc1 ZINC000055972902 472266613 /nfs/dbraw/zinc/26/66/13/472266613.db2.gz YQQLKBIURRXOME-ZDUSSCGKSA-N -1 3 334.397 2.985 20 5 EFBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000056088710 472281430 /nfs/dbraw/zinc/28/14/30/472281430.db2.gz YTPDUCKOPWXOJO-UHFFFAOYSA-N -1 3 344.751 2.866 20 5 EFBDHM Cc1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c2n[nH]cc21 ZINC000069046672 472282852 /nfs/dbraw/zinc/28/28/52/472282852.db2.gz NXWYRCVHNHQKGQ-UHFFFAOYSA-N -1 3 336.311 2.908 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C1(c2ccccc2)CCC1 ZINC000030384420 472330657 /nfs/dbraw/zinc/33/06/57/472330657.db2.gz CPOBLJVLGGJVHC-UHFFFAOYSA-N -1 3 332.381 2.953 20 5 EFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C(C1CC1)C1CC1 ZINC000044771712 472338173 /nfs/dbraw/zinc/33/81/73/472338173.db2.gz NEZGIQSQJBZRAJ-UHFFFAOYSA-N -1 3 330.793 2.715 20 5 EFBDHM CCCc1nnc([N-]C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)s1 ZINC000045318281 472393068 /nfs/dbraw/zinc/39/30/68/472393068.db2.gz GHTRUXZEIWRAOC-UHFFFAOYSA-N -1 3 332.345 2.527 20 5 EFBDHM O=C(Nc1ccc2oc(=O)[nH]c2c1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000032354954 472424421 /nfs/dbraw/zinc/42/44/21/472424421.db2.gz SJGYUUQDSUCMKG-UHFFFAOYSA-N -1 3 339.267 2.570 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCC1CCCCC1 ZINC000032434317 472434305 /nfs/dbraw/zinc/43/43/05/472434305.db2.gz JCXITVVYMCURAG-UHFFFAOYSA-N -1 3 342.417 2.852 20 5 EFBDHM Cc1ccccc1[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000077400181 472521280 /nfs/dbraw/zinc/52/12/80/472521280.db2.gz LRJCYTIWUOMQQK-UONOGXRCSA-N -1 3 332.381 2.738 20 5 EFBDHM Cc1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c([O-])c1 ZINC000071033614 472535245 /nfs/dbraw/zinc/53/52/45/472535245.db2.gz LXFZGWGTGHAVNZ-UHFFFAOYSA-N -1 3 330.296 2.632 20 5 EFBDHM Cc1cc(CN(C)C)cc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000119389756 472552377 /nfs/dbraw/zinc/55/23/77/472552377.db2.gz OOFWFQPLJIUTJK-UHFFFAOYSA-N -1 3 329.356 2.923 20 5 EFBDHM NC(=O)CCSc1ccccc1[N-]C(=O)c1ccccc1[N+](=O)[O-] ZINC000071804204 472570357 /nfs/dbraw/zinc/57/03/57/472570357.db2.gz YQSVYBUYRQODHM-UHFFFAOYSA-N -1 3 345.380 2.815 20 5 EFBDHM CCc1ncc(C(=O)[N-]c2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)s1 ZINC000103201145 472617815 /nfs/dbraw/zinc/61/78/15/472617815.db2.gz IIYZLZGKBYIGFE-UHFFFAOYSA-N -1 3 344.356 2.651 20 5 EFBDHM CCOC(=O)c1ccnc(NCc2ccc([O-])c(F)c2)c1[N+](=O)[O-] ZINC000078020101 472652361 /nfs/dbraw/zinc/65/23/61/472652361.db2.gz SWXJFVPEBVNTNN-UHFFFAOYSA-N -1 3 335.291 2.623 20 5 EFBDHM O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])NCc1ccc([O-])c(F)c1 ZINC000156278655 472687230 /nfs/dbraw/zinc/68/72/30/472687230.db2.gz CPUKSBBGVGOHHV-ZZXKWVIFSA-N -1 3 334.278 2.908 20 5 EFBDHM C[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000157008955 472775174 /nfs/dbraw/zinc/77/51/74/472775174.db2.gz AIBFISKHSWDEPC-JTQLQIEISA-N -1 3 333.319 3.000 20 5 EFBDHM Cc1cc(C)c(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000063764680 472812409 /nfs/dbraw/zinc/81/24/09/472812409.db2.gz SQJCBHSNDZWFOA-UHFFFAOYSA-N -1 3 334.397 2.999 20 5 EFBDHM CN(C)CCN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000157695243 472847537 /nfs/dbraw/zinc/84/75/37/472847537.db2.gz AVUBNVGVHXQMTH-UHFFFAOYSA-N -1 3 343.383 2.504 20 5 EFBDHM O=c1[n-]c(-c2cccc(OCCO)n2)nc2cc3ccccc3cc12 ZINC000134853094 472975798 /nfs/dbraw/zinc/97/57/98/472975798.db2.gz MFNGPPHQCITDDM-UHFFFAOYSA-N -1 3 333.347 2.509 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCc1ccccc1Cl ZINC000065794869 473012189 /nfs/dbraw/zinc/01/21/89/473012189.db2.gz BQHQRPLEJXNIKY-UHFFFAOYSA-N -1 3 340.788 2.769 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-]Cc2ccccc2C)cc1[N+](=O)[O-] ZINC000122845509 473064166 /nfs/dbraw/zinc/06/41/66/473064166.db2.gz GBNQCEPQEVFYKO-UHFFFAOYSA-N -1 3 326.399 2.752 20 5 EFBDHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000093316066 473083301 /nfs/dbraw/zinc/08/33/01/473083301.db2.gz JKXYWDRIFHGLLW-UHFFFAOYSA-N -1 3 347.327 2.883 20 5 EFBDHM CN(C)CCN(CC1CCCCC1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000185431112 473425648 /nfs/dbraw/zinc/42/56/48/473425648.db2.gz JLTZMKUDXQIDGM-UHFFFAOYSA-N -1 3 349.431 2.885 20 5 EFBDHM Cc1noc(C)c1[C@H](C)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000113946850 473426474 /nfs/dbraw/zinc/42/64/74/473426474.db2.gz BVYMAOAREILPCW-JTQLQIEISA-N -1 3 339.373 2.548 20 5 EFBDHM O=C(CCc1cccc([N+](=O)[O-])c1)Nc1nnc(-c2ccco2)[n-]1 ZINC000151293360 473439207 /nfs/dbraw/zinc/43/92/07/473439207.db2.gz VGRJMWNQPZJFTP-UHFFFAOYSA-N -1 3 327.300 2.544 20 5 EFBDHM O=C(CCc1cccc([N+](=O)[O-])c1)Nc1nc(-c2ccco2)n[n-]1 ZINC000151293360 473439215 /nfs/dbraw/zinc/43/92/15/473439215.db2.gz VGRJMWNQPZJFTP-UHFFFAOYSA-N -1 3 327.300 2.544 20 5 EFBDHM O=C(CCc1cccc([N+](=O)[O-])c1)Nc1n[n-]c(-c2ccco2)n1 ZINC000151293360 473439222 /nfs/dbraw/zinc/43/92/22/473439222.db2.gz VGRJMWNQPZJFTP-UHFFFAOYSA-N -1 3 327.300 2.544 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccsc2)c1C ZINC000178297331 473486120 /nfs/dbraw/zinc/48/61/20/473486120.db2.gz XPLUBERSMPSQAG-UHFFFAOYSA-N -1 3 326.399 2.752 20 5 EFBDHM COc1cc(C(=O)Nc2nnc(-c3ccco3)[n-]2)cc([N+](=O)[O-])c1C ZINC000191157686 473493567 /nfs/dbraw/zinc/49/35/67/473493567.db2.gz RCFNXJLXBAWSLG-UHFFFAOYSA-N -1 3 343.299 2.542 20 5 EFBDHM COc1cc(C(=O)Nc2nc(-c3ccco3)n[n-]2)cc([N+](=O)[O-])c1C ZINC000191157686 473493571 /nfs/dbraw/zinc/49/35/71/473493571.db2.gz RCFNXJLXBAWSLG-UHFFFAOYSA-N -1 3 343.299 2.542 20 5 EFBDHM COc1cc(C(=O)Nc2n[n-]c(-c3ccco3)n2)cc([N+](=O)[O-])c1C ZINC000191157686 473493575 /nfs/dbraw/zinc/49/35/75/473493575.db2.gz RCFNXJLXBAWSLG-UHFFFAOYSA-N -1 3 343.299 2.542 20 5 EFBDHM CSCCCCC[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000185976250 473562991 /nfs/dbraw/zinc/56/29/91/473562991.db2.gz MFDPGLVPNIFIQW-UHFFFAOYSA-N -1 3 332.447 2.715 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2Cc3ccccc32)cc1C ZINC000170651994 473574486 /nfs/dbraw/zinc/57/44/86/473574486.db2.gz ABOOKMYDWSGUJR-AWEZNQCLSA-N -1 3 346.408 2.830 20 5 EFBDHM O=C(Nc1nccn1-c1ccccc1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000192015336 473606965 /nfs/dbraw/zinc/60/69/65/473606965.db2.gz URRRMPSAINCFNS-UHFFFAOYSA-N -1 3 348.322 2.909 20 5 EFBDHM O=C(Nc1ccc(OC(F)F)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186762645 473750529 /nfs/dbraw/zinc/75/05/29/473750529.db2.gz UKBBCDUNEGLUNH-UHFFFAOYSA-N -1 3 325.227 2.549 20 5 EFBDHM O=C(Nc1nc(-c2ccco2)cs1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186941628 473785244 /nfs/dbraw/zinc/78/52/44/473785244.db2.gz JZPVBCXDMNBCKY-UHFFFAOYSA-N -1 3 332.297 2.664 20 5 EFBDHM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cc(F)cc2nccnc21 ZINC000193718931 473803446 /nfs/dbraw/zinc/80/34/46/473803446.db2.gz RCXQCJBRDXASJQ-UHFFFAOYSA-N -1 3 342.286 2.938 20 5 EFBDHM O=C([N-][C@@H](CCO)c1ccco1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000274501913 473851023 /nfs/dbraw/zinc/85/10/23/473851023.db2.gz FEUKWANPEVQEAB-LBPRGKRZSA-N -1 3 340.282 2.520 20 5 EFBDHM O=c1[n-]cnc2c1CN(c1ccc([N+](=O)[O-])cc1C(F)(F)F)CC2 ZINC000269657501 473853813 /nfs/dbraw/zinc/85/38/13/473853813.db2.gz BUZLUKKSMLTVPH-UHFFFAOYSA-N -1 3 340.261 2.672 20 5 EFBDHM COc1cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)ccc1F ZINC000187589050 473888416 /nfs/dbraw/zinc/88/84/16/473888416.db2.gz GXBTWDFVLDWMNQ-UHFFFAOYSA-N -1 3 330.275 2.871 20 5 EFBDHM O=C([N-]O[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1Br ZINC000180555849 473904453 /nfs/dbraw/zinc/90/44/53/473904453.db2.gz FSQMCZAIOYIYEO-SNVBAGLBSA-N -1 3 345.149 2.545 20 5 EFBDHM CSc1cccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)c1[N+](=O)[O-] ZINC000188035405 473959611 /nfs/dbraw/zinc/95/96/11/473959611.db2.gz SPOMGORDLMSDSD-UHFFFAOYSA-N -1 3 347.278 2.706 20 5 EFBDHM CSc1cccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)c1[N+](=O)[O-] ZINC000188035405 473959617 /nfs/dbraw/zinc/95/96/17/473959617.db2.gz SPOMGORDLMSDSD-UHFFFAOYSA-N -1 3 347.278 2.706 20 5 EFBDHM CC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC000270038504 473963661 /nfs/dbraw/zinc/96/36/61/473963661.db2.gz ZKPGMLLILBHTHT-UHFFFAOYSA-N -1 3 349.206 2.578 20 5 EFBDHM C[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000182642754 474224052 /nfs/dbraw/zinc/22/40/52/474224052.db2.gz SYRRLKPXHWSREA-CYBMUJFWSA-N -1 3 343.383 2.551 20 5 EFBDHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])s1 ZINC000175630267 474269688 /nfs/dbraw/zinc/26/96/88/474269688.db2.gz BIYVKSRJJCQOEV-SNVBAGLBSA-N -1 3 341.414 2.708 20 5 EFBDHM COc1cc(CNC[C@H](O)c2cc(C)cc(C)c2)c([N+](=O)[O-])cc1[O-] ZINC000283124823 474311379 /nfs/dbraw/zinc/31/13/79/474311379.db2.gz ZGHYKNJXMNXJQU-KRWDZBQOSA-N -1 3 346.383 2.749 20 5 EFBDHM COCc1nsc([N-]C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)n1 ZINC000275823978 474332284 /nfs/dbraw/zinc/33/22/84/474332284.db2.gz QLXYRMOJKNRANG-UHFFFAOYSA-N -1 3 336.373 2.968 20 5 EFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCc2cccs2)c1[N+](=O)[O-] ZINC000189803192 474486908 /nfs/dbraw/zinc/48/69/08/474486908.db2.gz XQBYBDKIYHMAJM-UHFFFAOYSA-N -1 3 340.426 2.794 20 5 EFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCCOCC(C)C)c1[N+](=O)[O-] ZINC000189811627 474487963 /nfs/dbraw/zinc/48/79/63/474487963.db2.gz NREDOFNFGMDFST-UHFFFAOYSA-N -1 3 344.433 2.553 20 5 EFBDHM COc1cc(CNc2nc3cc(F)ccc3n2C)c([N+](=O)[O-])cc1[O-] ZINC000184253727 474490701 /nfs/dbraw/zinc/49/07/01/474490701.db2.gz XOKHJWMZKFWTNC-UHFFFAOYSA-N -1 3 346.318 2.947 20 5 EFBDHM O=C(c1n[n-]c2ccc([N+](=O)[O-])cc21)N1CCc2c1cccc2F ZINC000184295485 474496920 /nfs/dbraw/zinc/49/69/20/474496920.db2.gz LBOZULAPVKWOKA-UHFFFAOYSA-N -1 3 326.287 2.813 20 5 EFBDHM Cn1ncc([N+](=O)[O-])c1[N-]C(=O)c1csc(-c2ccc(F)cc2)n1 ZINC000184393992 474507357 /nfs/dbraw/zinc/50/73/57/474507357.db2.gz WDTKFNLKTBFULP-UHFFFAOYSA-N -1 3 347.331 2.843 20 5 EFBDHM Cc1cnc([C@H](C)[N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])s1 ZINC000184641292 474571874 /nfs/dbraw/zinc/57/18/74/474571874.db2.gz SVZJZMMDVWEVLQ-JTQLQIEISA-N -1 3 341.414 2.540 20 5 EFBDHM C[C@@H]([N-]S(=O)(=O)c1sccc1F)c1cccc([N+](=O)[O-])c1 ZINC000338867520 474682905 /nfs/dbraw/zinc/68/29/05/474682905.db2.gz VFARNWUIRCEQQW-MRVPVSSYSA-N -1 3 330.362 2.835 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000344951584 474818245 /nfs/dbraw/zinc/81/82/45/474818245.db2.gz MFHQXJOTNGGAHM-UHFFFAOYSA-N -1 3 348.330 2.833 20 5 EFBDHM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]OC[C@H](C)CC)cc1OC ZINC000292148145 474875579 /nfs/dbraw/zinc/87/55/79/474875579.db2.gz RTBFRWJYGGOZEP-SNVBAGLBSA-N -1 3 326.349 2.710 20 5 EFBDHM Cc1ncc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(=O)[n-]1 ZINC000345131430 474920990 /nfs/dbraw/zinc/92/09/90/474920990.db2.gz RELKUUNXDOQSCK-UHFFFAOYSA-N -1 3 344.352 2.544 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCC(C)(C)C1CC1 ZINC000339108333 474935817 /nfs/dbraw/zinc/93/58/17/474935817.db2.gz TURKUJBGNYBOMZ-UHFFFAOYSA-N -1 3 342.417 2.708 20 5 EFBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@@]1(CO)Cc1ccccc1 ZINC000339117137 474943016 /nfs/dbraw/zinc/94/30/16/474943016.db2.gz BZQNRFRQKXJXLG-IBGZPJMESA-N -1 3 342.395 2.870 20 5 EFBDHM Cc1cc([N-]C(=O)Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)on1 ZINC000341468880 475066881 /nfs/dbraw/zinc/06/68/81/475066881.db2.gz OILXOYQTFSLQCI-UHFFFAOYSA-N -1 3 335.707 2.533 20 5 EFBDHM CN(C)CCOc1ccccc1-c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000273989831 475151497 /nfs/dbraw/zinc/15/14/97/475151497.db2.gz XBHXXVZSBRZGKR-UHFFFAOYSA-N -1 3 343.343 2.580 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@H]1CCCCC1(F)F ZINC000296078650 475189134 /nfs/dbraw/zinc/18/91/34/475189134.db2.gz DXTIOGARMXXFRH-SNVBAGLBSA-N -1 3 334.344 2.699 20 5 EFBDHM O=C([N-]c1nc2ccc(Cl)cn2n1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000337718776 475268302 /nfs/dbraw/zinc/26/83/02/475268302.db2.gz IRDZKRWUPARMOH-UHFFFAOYSA-N -1 3 335.682 2.682 20 5 EFBDHM COC(=O)c1cc([N-]C(=O)c2cc(OC)cs2)cc([N+](=O)[O-])c1 ZINC000352453913 475311858 /nfs/dbraw/zinc/31/18/58/475311858.db2.gz INOFKBDBOLCFQA-UHFFFAOYSA-N -1 3 336.325 2.704 20 5 EFBDHM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000354663953 475325423 /nfs/dbraw/zinc/32/54/23/475325423.db2.gz CSOBNZTVJSHGCB-SECBINFHSA-N -1 3 340.323 2.913 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]CC2(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000337852655 475376868 /nfs/dbraw/zinc/37/68/68/475376868.db2.gz SPRHQRIOWRHVIZ-UHFFFAOYSA-N -1 3 346.408 2.913 20 5 EFBDHM CCOC(=O)C(C)(C)ON=C([O-])Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000296590316 475384881 /nfs/dbraw/zinc/38/48/81/475384881.db2.gz KGOKNQCLNKMRMM-UHFFFAOYSA-N -1 3 339.348 2.606 20 5 EFBDHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000296590316 475384888 /nfs/dbraw/zinc/38/48/88/475384888.db2.gz KGOKNQCLNKMRMM-UHFFFAOYSA-N -1 3 339.348 2.606 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000337946104 475450651 /nfs/dbraw/zinc/45/06/51/475450651.db2.gz XFERACHUGYRHBT-KBPBESRZSA-N -1 3 332.381 2.738 20 5 EFBDHM CCOc1ccc2nc([N-]C(=O)c3n[nH]c(C)c3[N+](=O)[O-])sc2c1 ZINC000354937561 475542330 /nfs/dbraw/zinc/54/23/30/475542330.db2.gz BAIJVURTNRHCDO-UHFFFAOYSA-N -1 3 347.356 2.887 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000352739492 475582410 /nfs/dbraw/zinc/58/24/10/475582410.db2.gz ZBDJDHYUDJHTSX-NEPJUHHUSA-N -1 3 342.417 2.708 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1CCc2ccccc21 ZINC000348334652 475602318 /nfs/dbraw/zinc/60/23/18/475602318.db2.gz PDDPOLAPVWRVDW-CQSZACIVSA-N -1 3 346.408 2.912 20 5 EFBDHM COc1cc(C(=O)Nc2ccc(C)cc2[O-])cc([N+](=O)[O-])c1OC ZINC000340033629 475700987 /nfs/dbraw/zinc/70/09/87/475700987.db2.gz LOXKFSCAKWDXOY-UHFFFAOYSA-N -1 3 332.312 2.878 20 5 EFBDHM COC(=O)c1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)s1 ZINC000346619317 475704012 /nfs/dbraw/zinc/70/40/12/475704012.db2.gz ZXQZXGKBDNHTCR-UHFFFAOYSA-N -1 3 346.324 2.572 20 5 EFBDHM CCc1[nH]nc(C(=O)[N-]c2ccc(OC(F)F)cc2F)c1[N+](=O)[O-] ZINC000338299901 475759548 /nfs/dbraw/zinc/75/95/48/475759548.db2.gz BZPRWZDWZICBNX-UHFFFAOYSA-N -1 3 344.249 2.873 20 5 EFBDHM O=[N+]([O-])c1ccn(C2CCN(Cc3cccc([O-])c3Cl)CC2)n1 ZINC000353233072 475789893 /nfs/dbraw/zinc/78/98/93/475789893.db2.gz MGNAQCFZRWBSKK-UHFFFAOYSA-N -1 3 336.779 2.987 20 5 EFBDHM CC[C@H](C)n1[nH]c(=NC(=O)c2[n-]nc3ccc([N+](=O)[O-])cc32)cc1C ZINC000343163878 475822831 /nfs/dbraw/zinc/82/28/31/475822831.db2.gz UBEMDYWKSCAARN-VIFPVBQESA-N -1 3 342.359 2.621 20 5 EFBDHM CC[C@H](C)n1[nH]c(=NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1C ZINC000343163878 475822836 /nfs/dbraw/zinc/82/28/36/475822836.db2.gz UBEMDYWKSCAARN-VIFPVBQESA-N -1 3 342.359 2.621 20 5 EFBDHM Cc1nc2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc2s1 ZINC000361915088 475863625 /nfs/dbraw/zinc/86/36/25/475863625.db2.gz HCCCAOOJGZJPLD-UHFFFAOYSA-N -1 3 330.325 2.866 20 5 EFBDHM Cc1[nH]nc(C(=O)[N-]c2nc(-c3ccc(O)cc3)cs2)c1[N+](=O)[O-] ZINC000340276178 475908892 /nfs/dbraw/zinc/90/88/92/475908892.db2.gz HVYYKUJWZNXUAQ-UHFFFAOYSA-N -1 3 345.340 2.708 20 5 EFBDHM CN(C)c1ccc(Cl)cc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000361983813 475914967 /nfs/dbraw/zinc/91/49/67/475914967.db2.gz PXYGNNBCAMWLGU-UHFFFAOYSA-N -1 3 336.735 2.667 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)CC(F)(F)F)c1C ZINC000362096604 475997873 /nfs/dbraw/zinc/99/78/73/475997873.db2.gz LAROHQSPOJPTMT-QMMMGPOBSA-N -1 3 340.323 2.831 20 5 EFBDHM C[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1c(F)cccc1F ZINC000340495412 476066512 /nfs/dbraw/zinc/06/65/12/476066512.db2.gz DEJLNMJQAJFMIU-SECBINFHSA-N -1 3 342.323 2.913 20 5 EFBDHM O=C(NCCNc1ccccc1[N+](=O)[O-])c1cc([O-])ccc1Cl ZINC000353583268 476101134 /nfs/dbraw/zinc/10/11/34/476101134.db2.gz XKVUTPMIQHMKFY-UHFFFAOYSA-N -1 3 335.747 2.796 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(c3ccccc3)CC2)c(F)c1 ZINC000338713792 476128265 /nfs/dbraw/zinc/12/82/65/476128265.db2.gz MJXJVIBKIJPEGR-UHFFFAOYSA-N -1 3 336.344 2.702 20 5 EFBDHM CCOC(=O)c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c([O-])c1 ZINC000340591469 476130300 /nfs/dbraw/zinc/13/03/00/476130300.db2.gz YCQWTCVBIWEYKE-UHFFFAOYSA-N -1 3 344.323 2.658 20 5 EFBDHM Cc1cccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000338730357 476142549 /nfs/dbraw/zinc/14/25/49/476142549.db2.gz ZXESOWFILNZTCF-UHFFFAOYSA-N -1 3 338.360 2.563 20 5 EFBDHM O=[N+]([O-])c1cccc(N2CCN(Cc3c(F)ccc([O-])c3F)CC2)c1 ZINC000350474647 476199544 /nfs/dbraw/zinc/19/95/44/476199544.db2.gz HITFTBXCQZMVJV-UHFFFAOYSA-N -1 3 349.337 2.901 20 5 EFBDHM COc1ccc(-c2ccc(CNC(C)(C)C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000340686134 476205283 /nfs/dbraw/zinc/20/52/83/476205283.db2.gz XIZWKIGEKVAMRM-UHFFFAOYSA-N -1 3 334.328 2.816 20 5 EFBDHM CC[C@@H]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)sc2C1 ZINC000302938881 476213024 /nfs/dbraw/zinc/21/30/24/476213024.db2.gz HGJCAIGUOJEXMD-MRVPVSSYSA-N -1 3 348.384 2.919 20 5 EFBDHM NC(=O)c1ccc([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(F)c1 ZINC000357116401 476243613 /nfs/dbraw/zinc/24/36/13/476243613.db2.gz BDAXVDBTBFDLTJ-UHFFFAOYSA-N -1 3 343.270 2.831 20 5 EFBDHM Cc1c(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cnn1CC(C)C ZINC000347317393 476253921 /nfs/dbraw/zinc/25/39/21/476253921.db2.gz LEFNYEYBYSMAQE-UHFFFAOYSA-N -1 3 342.359 2.884 20 5 EFBDHM COc1cccc2c(C(=O)N3CCc4ccc([N+](=O)[O-])cc43)[n-]nc21 ZINC000362505000 476288540 /nfs/dbraw/zinc/28/85/40/476288540.db2.gz KVQOWHIZUAJICW-UHFFFAOYSA-N -1 3 338.323 2.683 20 5 EFBDHM COc1cccc2c(C(=O)N3CCc4ccc([N+](=O)[O-])cc43)n[n-]c21 ZINC000362505000 476288543 /nfs/dbraw/zinc/28/85/43/476288543.db2.gz KVQOWHIZUAJICW-UHFFFAOYSA-N -1 3 338.323 2.683 20 5 EFBDHM CCOc1cc(-c2noc(-c3cc([N+](=O)[O-])cn3C)n2)ccc1[O-] ZINC000350790982 476300351 /nfs/dbraw/zinc/30/03/51/476300351.db2.gz HITKGMKAZSEWJZ-UHFFFAOYSA-N -1 3 330.300 2.755 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1ccc(F)c(F)c1 ZINC000357357305 476344184 /nfs/dbraw/zinc/34/41/84/476344184.db2.gz UFUHQABWRWECIX-UHFFFAOYSA-N -1 3 342.323 2.660 20 5 EFBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1cc(F)cc(F)c1 ZINC000354110287 476434746 /nfs/dbraw/zinc/43/47/46/476434746.db2.gz BBQWQGAOBJMZNB-UHFFFAOYSA-N -1 3 344.277 2.937 20 5 EFBDHM CCO[C@H](CC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)C(C)C ZINC000352286534 476612500 /nfs/dbraw/zinc/61/25/00/476612500.db2.gz RUPPYGXGPGPQDI-OAHLLOKOSA-N -1 3 346.387 2.797 20 5 EFBDHM CCSc1nccnc1C(=O)[N-]c1ccc(OC)cc1[N+](=O)[O-] ZINC000430095249 476754449 /nfs/dbraw/zinc/75/44/49/476754449.db2.gz MMMMGFZZCMSAIY-UHFFFAOYSA-N -1 3 334.357 2.758 20 5 EFBDHM Cc1ccc(-c2ncco2)cc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000370498183 476839699 /nfs/dbraw/zinc/83/96/99/476839699.db2.gz GAXRPARKWTZUGA-UHFFFAOYSA-N -1 3 340.295 2.911 20 5 EFBDHM CC(C)C[C@@H](CN1CCCC1)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000452343778 476924371 /nfs/dbraw/zinc/92/43/71/476924371.db2.gz YJEOBNOKDYOIMX-AWEZNQCLSA-N -1 3 335.404 2.541 20 5 EFBDHM O=C(c1c[n-]c2ccccc2c1=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446885442 476931352 /nfs/dbraw/zinc/93/13/52/476931352.db2.gz WPRAUGAVFMALMA-UHFFFAOYSA-N -1 3 349.346 2.635 20 5 EFBDHM O=[N+]([O-])c1cccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)F)c1 ZINC000431618547 477063250 /nfs/dbraw/zinc/06/32/50/477063250.db2.gz GFWIXPRYMDLYRM-ZDUSSCGKSA-N -1 3 342.323 2.880 20 5 EFBDHM CCc1cncc(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)c1 ZINC000448112645 477132884 /nfs/dbraw/zinc/13/28/84/477132884.db2.gz GDLGALRSWUATOM-UHFFFAOYSA-N -1 3 337.339 2.617 20 5 EFBDHM CCCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416363968 477146245 /nfs/dbraw/zinc/14/62/45/477146245.db2.gz SKYZTVMLRLOVKH-UHFFFAOYSA-N -1 3 326.296 2.692 20 5 EFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CC1CCC1 ZINC000416372476 477149847 /nfs/dbraw/zinc/14/98/47/477149847.db2.gz OEHXDAFPFWIDAQ-UHFFFAOYSA-N -1 3 338.307 2.692 20 5 EFBDHM Cc1ccc(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])nc1C ZINC000416543479 477210070 /nfs/dbraw/zinc/21/00/70/477210070.db2.gz CQHFJJVZZUKFCZ-UHFFFAOYSA-N -1 3 349.412 2.702 20 5 EFBDHM CC(C)(C)c1ccncc1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000416577708 477225110 /nfs/dbraw/zinc/22/51/10/477225110.db2.gz BJHCHOZTJZKMDX-UHFFFAOYSA-N -1 3 349.412 2.766 20 5 EFBDHM Cc1ncc(CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c(=O)[n-]1 ZINC000433238799 477319070 /nfs/dbraw/zinc/31/90/70/477319070.db2.gz CFWYYJXZTIBXEN-OAHLLOKOSA-N -1 3 328.372 2.911 20 5 EFBDHM COc1cccc(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c1[O-] ZINC000436630625 477538272 /nfs/dbraw/zinc/53/82/72/477538272.db2.gz OKLJZXMOWFNKCH-UHFFFAOYSA-N -1 3 330.340 2.624 20 5 EFBDHM CC[C@@H](C)N[C@@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccco1 ZINC000436713776 477566431 /nfs/dbraw/zinc/56/64/31/477566431.db2.gz KDOSFFVRPZJZOG-YPMHNXCESA-N -1 3 347.371 2.753 20 5 EFBDHM COC(=O)c1cc(-c2nc(-c3ccc([O-])cc3)no2)cc([N+](=O)[O-])c1 ZINC000436769469 477585438 /nfs/dbraw/zinc/58/54/38/477585438.db2.gz OFOGYWGNIVEOHC-UHFFFAOYSA-N -1 3 341.279 2.804 20 5 EFBDHM COc1ccc(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c([O-])c1 ZINC000436778055 477587374 /nfs/dbraw/zinc/58/73/74/477587374.db2.gz DZUAQVAKLGQPGF-UHFFFAOYSA-N -1 3 330.340 2.974 20 5 EFBDHM O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1c([O-])cccc1O ZINC000436904939 477631888 /nfs/dbraw/zinc/63/18/88/477631888.db2.gz MMEUSXUKCWOAGY-UHFFFAOYSA-N -1 3 336.731 2.632 20 5 EFBDHM COC(=O)c1cc(NC(=O)c2ccc([O-])c(C)c2)cc([N+](=O)[O-])c1 ZINC000436936231 477641614 /nfs/dbraw/zinc/64/16/14/477641614.db2.gz AELGBIMKCFMTAV-UHFFFAOYSA-N -1 3 330.296 2.648 20 5 EFBDHM Cc1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c(CN(C)C)c1 ZINC000428046103 477811782 /nfs/dbraw/zinc/81/17/82/477811782.db2.gz DCRFFEODYFALRK-UHFFFAOYSA-N -1 3 329.356 2.923 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000462501927 477903943 /nfs/dbraw/zinc/90/39/43/477903943.db2.gz OJBLOKIINFVWEU-LSDHHAIUSA-N -1 3 346.408 2.813 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1C[C@H]1Cc1ccccc1 ZINC000462502964 477904466 /nfs/dbraw/zinc/90/44/66/477904466.db2.gz POKLUACNSUQVBE-HUUCEWRRSA-N -1 3 346.408 2.813 20 5 EFBDHM C[C@H](C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)C(F)(F)F ZINC000439154623 477937416 /nfs/dbraw/zinc/93/74/16/477937416.db2.gz SJAGQSZIZBGBJC-SSDOTTSWSA-N -1 3 328.250 2.544 20 5 EFBDHM CC(C)C1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000440381946 478110471 /nfs/dbraw/zinc/11/04/71/478110471.db2.gz MONRTWYGMHLNLZ-UHFFFAOYSA-N -1 3 332.809 2.963 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCCc1cccs1 ZINC000537656048 478324163 /nfs/dbraw/zinc/32/41/63/478324163.db2.gz AHMUADGRZGHIDG-UHFFFAOYSA-N -1 3 326.399 2.567 20 5 EFBDHM CC[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC)C1CCCC1 ZINC000590764396 478327078 /nfs/dbraw/zinc/32/70/78/478327078.db2.gz YCDLNYPUZUNQOQ-LBPRGKRZSA-N -1 3 342.417 2.851 20 5 EFBDHM O=C([O-])[C@H]1c2ccccc2CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000520594798 478328830 /nfs/dbraw/zinc/32/88/30/478328830.db2.gz SBDGGLGNTKJXFO-QGZVFWFLSA-N -1 3 342.351 2.658 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)Cc2ccccn2)cc1C ZINC000594479000 478403551 /nfs/dbraw/zinc/40/35/51/478403551.db2.gz LOJDYOMTOHTTPU-CYBMUJFWSA-N -1 3 349.412 2.516 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)Cc2ccccn2)c1C ZINC000594479919 478404941 /nfs/dbraw/zinc/40/49/41/478404941.db2.gz IZTTYEWQBXRHIO-LBPRGKRZSA-N -1 3 349.412 2.516 20 5 EFBDHM C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2OCC[C@H]2C(=O)[O-])CC1 ZINC000570729559 478432500 /nfs/dbraw/zinc/43/25/00/478432500.db2.gz NWWRVWABKDHIKA-JLZZUVOBSA-N -1 3 348.399 2.858 20 5 EFBDHM CNc1ccc(C(=O)N2CCCc3cccc([O-])c32)cc1[N+](=O)[O-] ZINC000539815276 478443346 /nfs/dbraw/zinc/44/33/46/478443346.db2.gz TUSMZOSPJLJEOE-UHFFFAOYSA-N -1 3 327.340 2.935 20 5 EFBDHM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000581921029 478464166 /nfs/dbraw/zinc/46/41/66/478464166.db2.gz DVYLUEJJEVGMDB-JTQLQIEISA-N -1 3 338.327 2.517 20 5 EFBDHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000581921029 478464174 /nfs/dbraw/zinc/46/41/74/478464174.db2.gz DVYLUEJJEVGMDB-JTQLQIEISA-N -1 3 338.327 2.517 20 5 EFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@]1(C)CCCC[C@@H]1C ZINC000591329442 478524528 /nfs/dbraw/zinc/52/45/28/478524528.db2.gz IYBXTPQHDXZROX-NHYWBVRUSA-N -1 3 342.417 2.851 20 5 EFBDHM CC[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC)[C@@H]1CC1(C)C ZINC000591333795 478526920 /nfs/dbraw/zinc/52/69/20/478526920.db2.gz AGHRGFDOCMVNMR-QWRGUYRKSA-N -1 3 342.417 2.706 20 5 EFBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]CCCC1CC1 ZINC000594753508 478531456 /nfs/dbraw/zinc/53/14/56/478531456.db2.gz KTCXZWDBAJUUTI-UHFFFAOYSA-N -1 3 335.385 2.612 20 5 EFBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]C1CC2(CCC2)C1 ZINC000594794493 478542354 /nfs/dbraw/zinc/54/23/54/478542354.db2.gz LLIBJGITUVOWHX-UHFFFAOYSA-N -1 3 347.396 2.754 20 5 EFBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]C1(C2CCC2)CC1 ZINC000594796534 478544104 /nfs/dbraw/zinc/54/41/04/478544104.db2.gz STDGSVPCUPHRHP-UHFFFAOYSA-N -1 3 347.396 2.754 20 5 EFBDHM CSCC1(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000594820471 478551024 /nfs/dbraw/zinc/55/10/24/478551024.db2.gz WKYVTTHTMHPKJN-UHFFFAOYSA-N -1 3 348.421 2.546 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCOC(C)(C)C)cc1C ZINC000594849638 478560287 /nfs/dbraw/zinc/56/02/87/478560287.db2.gz QRRKIUIYADHGCB-UHFFFAOYSA-N -1 3 344.433 2.695 20 5 EFBDHM COc1ccc([N+](=O)[O-])c(Cc2nc3ccc([O-])cc3c(=O)[nH]2)c1 ZINC000491597141 478596804 /nfs/dbraw/zinc/59/68/04/478596804.db2.gz RPBNAPKIAVNPBZ-UHFFFAOYSA-N -1 3 327.296 2.549 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1 ZINC000595279725 478711131 /nfs/dbraw/zinc/71/11/31/478711131.db2.gz ZUDKPCAWBAZACG-GUYCJALGSA-N -1 3 334.372 2.680 20 5 EFBDHM COc1ccc([O-])c(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000583161200 478778637 /nfs/dbraw/zinc/77/86/37/478778637.db2.gz MSPMYXYRSLYADO-UHFFFAOYSA-N -1 3 330.340 2.974 20 5 EFBDHM O=C([O-])[C@@]1(c2ccccc2)CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000583387005 478840507 /nfs/dbraw/zinc/84/05/07/478840507.db2.gz VPRKSNDPIJABIY-SFHVURJKSA-N -1 3 326.352 2.823 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)Cc2ccsc2)cc1[N+](=O)[O-] ZINC000545938595 478977165 /nfs/dbraw/zinc/97/71/65/478977165.db2.gz CHJQLAIUFKUVSZ-QMMMGPOBSA-N -1 3 346.455 2.936 20 5 EFBDHM CC(C)N1CC[C@H](N(C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000565718346 479071253 /nfs/dbraw/zinc/07/12/53/479071253.db2.gz ILLNMAKMWYIFLV-NSHDSACASA-N -1 3 341.795 2.509 20 5 EFBDHM COc1cc(Cc2noc(-c3ccccc3[O-])n2)ccc1[N+](=O)[O-] ZINC000547179338 479091662 /nfs/dbraw/zinc/09/16/62/479091662.db2.gz VMTNPUYFSZPLKR-UHFFFAOYSA-N -1 3 327.296 2.950 20 5 EFBDHM Cc1cc(C)c(NC(=O)CNc2cc[n-]c(=O)c2[N+](=O)[O-])c(C)c1 ZINC000596055648 479110805 /nfs/dbraw/zinc/11/08/05/479110805.db2.gz UUXFQLPPLPQCLE-UHFFFAOYSA-N -1 3 330.344 2.671 20 5 EFBDHM O=c1[n-]ccc(N2CCC[C@H]2c2ccc3c(c2)OCCO3)c1[N+](=O)[O-] ZINC000596055272 479111380 /nfs/dbraw/zinc/11/13/80/479111380.db2.gz UVCJWVFDVQMTOR-LBPRGKRZSA-N -1 3 343.339 2.808 20 5 EFBDHM O=c1[n-]ccc(N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1[N+](=O)[O-] ZINC000596055271 479111732 /nfs/dbraw/zinc/11/17/32/479111732.db2.gz UVCJWVFDVQMTOR-GFCCVEGCSA-N -1 3 343.339 2.808 20 5 EFBDHM CC[C@H]1CCCCN1CCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000592972484 479112176 /nfs/dbraw/zinc/11/21/76/479112176.db2.gz KFSJSRZQNKCUJA-AWEZNQCLSA-N -1 3 335.404 2.898 20 5 EFBDHM CC1(C)CCCN(CCNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000592977089 479113248 /nfs/dbraw/zinc/11/32/48/479113248.db2.gz ZZDZJEITMQOLEL-UHFFFAOYSA-N -1 3 335.404 2.756 20 5 EFBDHM O=c1[n-]ccc(N2CCCN(Cc3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000596065197 479116963 /nfs/dbraw/zinc/11/69/63/479116963.db2.gz GGGVRAIQKLHSCH-UHFFFAOYSA-N -1 3 346.362 2.547 20 5 EFBDHM O=c1[n-]ccc(N2CCC(c3nc4ccccc4[nH]3)CC2)c1[N+](=O)[O-] ZINC000596065570 479117095 /nfs/dbraw/zinc/11/70/95/479117095.db2.gz SHHMODMTQLJHOL-UHFFFAOYSA-N -1 3 339.355 2.956 20 5 EFBDHM CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000515100140 479119181 /nfs/dbraw/zinc/11/91/81/479119181.db2.gz JIWBYJYYAHGAPN-DGCLKSJQSA-N -1 3 342.417 2.851 20 5 EFBDHM O=C([O-])[C@@H](c1cccnc1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000584541695 479173510 /nfs/dbraw/zinc/17/35/10/479173510.db2.gz VLQNXQCTIZIKKX-NVXWUHKLSA-N -1 3 341.367 2.995 20 5 EFBDHM O=c1[n-]ccc(N2CCO[C@H](c3ccc(F)cc3F)C2)c1[N+](=O)[O-] ZINC000596201496 479196400 /nfs/dbraw/zinc/19/64/00/479196400.db2.gz YPZKXQWGMDCDKM-ZDUSSCGKSA-N -1 3 337.282 2.552 20 5 EFBDHM CC(C)(C)O[C@@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])[C@H]1n1cccn1 ZINC000596259404 479228665 /nfs/dbraw/zinc/22/86/65/479228665.db2.gz ZAFIEOXUIDLYCZ-JHJVBQTASA-N -1 3 347.375 2.501 20 5 EFBDHM O=[N+]([O-])c1cccnc1N1CCN(Cc2cc([O-])ccc2Cl)CC1 ZINC000599437302 479297244 /nfs/dbraw/zinc/29/72/44/479297244.db2.gz NJIZVWKWPLOSFW-UHFFFAOYSA-N -1 3 348.790 2.671 20 5 EFBDHM CC(C)(C)Oc1cc(N2CCc3nc[n-]c(=O)c3C2)ccc1[N+](=O)[O-] ZINC000611204015 479310399 /nfs/dbraw/zinc/31/03/99/479310399.db2.gz WEHMHUMNNAFOCH-UHFFFAOYSA-N -1 3 344.371 2.830 20 5 EFBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000611287301 479338069 /nfs/dbraw/zinc/33/80/69/479338069.db2.gz KQGQXHVFKDWONE-GUYCJALGSA-N -1 3 331.416 2.749 20 5 EFBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCCC3(CCOCC3)C2)c1 ZINC000593737864 479440954 /nfs/dbraw/zinc/44/09/54/479440954.db2.gz XPZIZSLRFLHVAB-UHFFFAOYSA-N -1 3 334.372 2.686 20 5 EFBDHM COCC[C@@H]1CCCCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000593741912 479441873 /nfs/dbraw/zinc/44/18/73/479441873.db2.gz SRKGZFIMIKMCRK-ZDUSSCGKSA-N -1 3 336.388 2.932 20 5 EFBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CC[C@H](C3CCOCC3)C2)c1 ZINC000593741290 479442464 /nfs/dbraw/zinc/44/24/64/479442464.db2.gz NMBLNDCUCUKKQU-AWEZNQCLSA-N -1 3 334.372 2.542 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000593748942 479446164 /nfs/dbraw/zinc/44/61/64/479446164.db2.gz XRLQSHSQTORSFK-ZDUSSCGKSA-N -1 3 336.388 2.926 20 5 EFBDHM O=C([O-])c1cccc2c1CN(CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000593750522 479447441 /nfs/dbraw/zinc/44/74/41/479447441.db2.gz JAYBXRFKXJYNOW-UHFFFAOYSA-N -1 3 326.352 2.894 20 5 EFBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C1(C(F)F)CCCC1 ZINC000588906299 479455952 /nfs/dbraw/zinc/45/59/52/479455952.db2.gz WWRJGRYKUFCEPH-UHFFFAOYSA-N -1 3 334.344 2.759 20 5 EFBDHM CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000603957521 479457822 /nfs/dbraw/zinc/45/78/22/479457822.db2.gz QLIVLQDXKXPLFP-ZWNOBZJWSA-N -1 3 330.381 2.981 20 5 EFBDHM C[C@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)o1 ZINC000604040600 479466792 /nfs/dbraw/zinc/46/67/92/479466792.db2.gz NEIKEPNJCJCCJF-HZMBPMFUSA-N -1 3 336.369 2.790 20 5 EFBDHM C[C@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000604431876 479517092 /nfs/dbraw/zinc/51/70/92/479517092.db2.gz VXSGKOSISDYIEJ-WDEREUQCSA-N -1 3 330.381 2.839 20 5 EFBDHM C[C@@H](NC(=O)c1ccc2[nH][n-]c(=O)c2c1)c1cccc([N+](=O)[O-])c1 ZINC000590422705 479644373 /nfs/dbraw/zinc/64/43/73/479644373.db2.gz FRSXFBHLPVXSCA-SECBINFHSA-N -1 3 326.312 2.668 20 5 EFBDHM Cc1ccc(C[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)cc1 ZINC000590589893 479663922 /nfs/dbraw/zinc/66/39/22/479663922.db2.gz OIKLLYCBRLXZHQ-UHFFFAOYSA-N -1 3 338.360 2.829 20 5 EFBDHM CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619476253 479805419 /nfs/dbraw/zinc/80/54/19/479805419.db2.gz VUSFKSLHXUJDNH-VXGBXAGGSA-N -1 3 342.417 2.851 20 5 EFBDHM CCC(CC)(CC)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619486707 479808438 /nfs/dbraw/zinc/80/84/38/479808438.db2.gz RJMJSQQGZFNNFG-UHFFFAOYSA-N -1 3 330.406 2.851 20 5 EFBDHM CC[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000610136552 480243099 /nfs/dbraw/zinc/24/30/99/480243099.db2.gz QIZFCSVJVUEZDV-MNOVXSKESA-N -1 3 330.381 2.981 20 5 EFBDHM O=C(CCCNc1ccc([N+](=O)[O-])cc1)[N-]OCCC(F)(F)F ZINC000154923334 534359265 /nfs/dbraw/zinc/35/92/65/534359265.db2.gz DEDWYJPDQBXSCF-UHFFFAOYSA-N -1 3 335.282 2.787 20 5 EFBDHM CC(C)(CCNCc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)[O-] ZINC000263115103 519217847 /nfs/dbraw/zinc/21/78/47/519217847.db2.gz ZGUDPYOGYHYBEC-UHFFFAOYSA-N -1 3 332.303 2.787 20 5 EFBDHM CCOC[C@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(C)C ZINC000190187316 520149674 /nfs/dbraw/zinc/14/96/74/520149674.db2.gz SGJRQPCQXILGHF-ZDUSSCGKSA-N -1 3 344.433 2.551 20 5 EFBDHM CCS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000176898141 521726094 /nfs/dbraw/zinc/72/60/94/521726094.db2.gz KOEUODUHTGZIJX-NWDGAFQWSA-N -1 3 344.458 2.937 20 5 EFBDHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000175625553 534658107 /nfs/dbraw/zinc/65/81/07/534658107.db2.gz NUQDQDOMPMEGDL-JTQLQIEISA-N -1 3 341.414 2.708 20 5 EFBDHM CN(C)C(=O)c1ccc(Cl)c([N-]C(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000075573964 524022463 /nfs/dbraw/zinc/02/24/63/524022463.db2.gz PIFKZCHTPHAUHJ-UHFFFAOYSA-N -1 3 337.719 2.795 20 5 EFBDHM COc1ccc([N-]C(=O)c2cnc(C(F)(F)F)nc2)c([N+](=O)[O-])c1 ZINC000153780174 524650528 /nfs/dbraw/zinc/65/05/28/524650528.db2.gz IHSUWRGPRPEYCR-UHFFFAOYSA-N -1 3 342.233 2.665 20 5 EFBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(F)c1F ZINC000067124768 525572344 /nfs/dbraw/zinc/57/23/44/525572344.db2.gz ZMQYOFQNAJJBDP-UHFFFAOYSA-N -1 3 328.296 2.982 20 5 EFBDHM CS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000117375290 525907959 /nfs/dbraw/zinc/90/79/59/525907959.db2.gz BOOYUAGYJQEFLV-KOLCDFICSA-N -1 3 348.421 2.686 20 5 EFBDHM O=C([N-]c1cccc([N+](=O)[O-])c1)c1cnc(-c2ncccn2)s1 ZINC000121475803 527375642 /nfs/dbraw/zinc/37/56/42/527375642.db2.gz VQDFQXBWORPDLT-UHFFFAOYSA-N -1 3 327.325 2.761 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1cccc(F)c1 ZINC000067434733 527405702 /nfs/dbraw/zinc/40/57/02/527405702.db2.gz VNZMXLYJAFLVAT-QWHCGFSZSA-N -1 3 336.344 2.568 20 5 EFBDHM CCN(c1cccc([O-])c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000190357462 535417166 /nfs/dbraw/zinc/41/71/66/535417166.db2.gz MQMLCACRBZZPAX-UHFFFAOYSA-N -1 3 336.369 2.824 20 5 EFBDHM CN(C)CCN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000355967285 535846185 /nfs/dbraw/zinc/84/61/85/535846185.db2.gz HDTIQSBRYJDMLX-UHFFFAOYSA-N -1 3 329.356 2.509 20 5 EFBDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])c1ccncc1 ZINC000360490537 535928354 /nfs/dbraw/zinc/92/83/54/535928354.db2.gz OLTUNPSPNDZKNV-ZDUSSCGKSA-N -1 3 335.385 2.728 20 5 EFBDHM CCc1ccnc(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1 ZINC000435638345 536012095 /nfs/dbraw/zinc/01/20/95/536012095.db2.gz PZVOVLXSRGMLHS-UHFFFAOYSA-N -1 3 349.412 2.648 20 5 EFBDHM COC(=O)c1cc([N-]C(=O)c2sccc2OC)cc([N+](=O)[O-])c1 ZINC000346271469 536564145 /nfs/dbraw/zinc/56/41/45/536564145.db2.gz FDRWVEZXONDBGV-UHFFFAOYSA-N -1 3 336.325 2.704 20 5 EFBDHM COC(=O)c1ccc([N-]C(=O)c2cc(OC)ccc2[N+](=O)[O-])c(F)c1 ZINC000346901705 536778634 /nfs/dbraw/zinc/77/86/34/536778634.db2.gz KZBSGTOHMRTSCX-UHFFFAOYSA-N -1 3 348.286 2.781 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-]CCCC2CCCC2)c([N+](=O)[O-])c1 ZINC000341256672 536875984 /nfs/dbraw/zinc/87/59/84/536875984.db2.gz DHNCEYFPYAAQMM-UHFFFAOYSA-N -1 3 342.417 2.852 20 5 EFBDHM COc1ccc(-c2ccc(CN3CC[C@@H](C(=O)[O-])C3)o2)c([N+](=O)[O-])c1 ZINC000414681024 536896210 /nfs/dbraw/zinc/89/62/10/536896210.db2.gz LYSPHOZGBUUTMK-LLVKDONJSA-N -1 3 346.339 2.770 20 5 EFBDHM O=C([N-]N1CCc2ccccc2C1=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000762662156 576322359 /nfs/dbraw/zinc/32/23/59/576322359.db2.gz NOOVTOGJTPRILU-UHFFFAOYSA-N -1 3 345.742 2.592 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)Cc2ccco2)c1C ZINC000765165413 577014719 /nfs/dbraw/zinc/01/47/19/577014719.db2.gz CZICVBGITSBALT-LLVKDONJSA-N -1 3 338.385 2.714 20 5 EFBDHM Cc1cccc(C)c1C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000765223956 577020676 /nfs/dbraw/zinc/02/06/76/577020676.db2.gz CTNNVNOQUBERDY-UHFFFAOYSA-N -1 3 334.397 2.999 20 5 EFBDHM COC(=O)c1cnc([N-]C(=O)c2cc(Cl)ccc2[N+](=O)[O-])s1 ZINC000766391627 577143826 /nfs/dbraw/zinc/14/38/26/577143826.db2.gz AXLYKBLVOAACCR-UHFFFAOYSA-N -1 3 341.732 2.744 20 5 EFBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2CSc3ccccc32)cs1 ZINC000768831766 577307357 /nfs/dbraw/zinc/30/73/57/577307357.db2.gz KFLDIWBVBMQFNR-SNVBAGLBSA-N -1 3 342.423 2.782 20 5 EFBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2C[C@@H]2C2CCCCC2)cs1 ZINC000768841924 577308281 /nfs/dbraw/zinc/30/82/81/577308281.db2.gz JXQBSYFHLOZOPP-VXGBXAGGSA-N -1 3 330.431 2.903 20 5 EFBDHM CS[C@H](C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)C(C)(C)C ZINC000768886102 577314053 /nfs/dbraw/zinc/31/40/53/577314053.db2.gz HYEUYBWEAKOEDE-SECBINFHSA-N -1 3 338.476 2.712 20 5 EFBDHM CN(C)Cc1ccc(CN(C)C(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC000769002403 577323531 /nfs/dbraw/zinc/32/35/31/577323531.db2.gz WPRUHSKXLMWINV-UHFFFAOYSA-N -1 3 343.383 2.634 20 5 EFBDHM O=C(Oc1ccc(NC(=O)C2CC2)cc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000772215384 581296182 /nfs/dbraw/zinc/29/61/82/581296182.db2.gz YSJWXOUIFRQVRQ-UHFFFAOYSA-N -1 3 342.307 2.868 20 5 EFBDHM C[C@@H](OC(=O)c1c([O-])cccc1F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000772592602 581344718 /nfs/dbraw/zinc/34/47/18/581344718.db2.gz OAMREFNKDPDBAA-SECBINFHSA-N -1 3 348.286 2.624 20 5 EFBDHM C[C@H](OC(=O)c1c([O-])cccc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000772595981 581344886 /nfs/dbraw/zinc/34/48/86/581344886.db2.gz XFGGVIKITWASHF-VIFPVBQESA-N -1 3 348.286 2.624 20 5 EFBDHM Cc1cccc([C@@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1C ZINC000737390421 599066211 /nfs/dbraw/zinc/06/62/11/599066211.db2.gz TWEPVOLWQHQXRB-LLVKDONJSA-N -1 3 339.359 2.960 20 5 EFBDHM Cc1cccc([C@@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1C ZINC000737390421 599066214 /nfs/dbraw/zinc/06/62/14/599066214.db2.gz TWEPVOLWQHQXRB-LLVKDONJSA-N -1 3 339.359 2.960 20 5 EFBDHM Cc1cc(NCc2cc(-c3nnn[n-]3)ccc2F)ccc1[N+](=O)[O-] ZINC000822209780 599070355 /nfs/dbraw/zinc/07/03/55/599070355.db2.gz WSMPYNVEBOFSQS-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM Cc1cc(NCc2cc(-c3nn[n-]n3)ccc2F)ccc1[N+](=O)[O-] ZINC000822209780 599070357 /nfs/dbraw/zinc/07/03/57/599070357.db2.gz WSMPYNVEBOFSQS-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM O=[N+]([O-])c1cnc(Sc2ccc(F)cc2F)c(-c2nnn[n-]2)c1 ZINC000823652268 599302818 /nfs/dbraw/zinc/30/28/18/599302818.db2.gz XVUOAVZXHXOJQO-UHFFFAOYSA-N -1 3 336.283 2.599 20 5 EFBDHM CS[C@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000737178923 599232903 /nfs/dbraw/zinc/23/29/03/599232903.db2.gz GBRVFKKRJJQXQM-MNOVXSKESA-N -1 3 334.405 2.861 20 5 EFBDHM CS[C@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000737178923 599232905 /nfs/dbraw/zinc/23/29/05/599232905.db2.gz GBRVFKKRJJQXQM-MNOVXSKESA-N -1 3 334.405 2.861 20 5 EFBDHM O=C([O-])C1(NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCCC1 ZINC000821483659 597459184 /nfs/dbraw/zinc/45/91/84/597459184.db2.gz WUJWQQINAUXEDP-UHFFFAOYSA-N -1 3 331.328 2.737 20 5 EFBDHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000738251799 598645803 /nfs/dbraw/zinc/64/58/03/598645803.db2.gz SCFXSCPFWJNZAP-UHFFFAOYSA-N -1 3 345.702 2.648 20 5 EFBDHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000738251799 598645804 /nfs/dbraw/zinc/64/58/04/598645804.db2.gz SCFXSCPFWJNZAP-UHFFFAOYSA-N -1 3 345.702 2.648 20 5 EFBDHM CCCN(C[C@@H]1CCCCO1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736469999 598816758 /nfs/dbraw/zinc/81/67/58/598816758.db2.gz IBYJJBDTQQYQJA-ZDUSSCGKSA-N -1 3 346.391 2.560 20 5 EFBDHM CCCN(C[C@@H]1CCCCO1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736469999 598816759 /nfs/dbraw/zinc/81/67/59/598816759.db2.gz IBYJJBDTQQYQJA-ZDUSSCGKSA-N -1 3 346.391 2.560 20 5 EFBDHM C[C@@H]1CCC[C@@H]1Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820697628 599527616 /nfs/dbraw/zinc/52/76/16/599527616.db2.gz JQMOUDUMPHRPAS-RNCFNFMXSA-N -1 3 339.359 2.924 20 5 EFBDHM C[C@@H]1CCC[C@@H]1Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820697628 599527619 /nfs/dbraw/zinc/52/76/19/599527619.db2.gz JQMOUDUMPHRPAS-RNCFNFMXSA-N -1 3 339.359 2.924 20 5 EFBDHM O=C([O-])[C@H](NCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000833166817 600734034 /nfs/dbraw/zinc/73/40/34/600734034.db2.gz VBVBERNLHDJRNA-OAHLLOKOSA-N -1 3 333.319 2.561 20 5 EFBDHM CCOc1ccc([N+](=O)[O-])cc1CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000830094516 601305692 /nfs/dbraw/zinc/30/56/92/601305692.db2.gz JYDGZHKVWIDWQY-AWEZNQCLSA-N -1 3 334.372 2.680 20 5 EFBDHM Cc1nn(CN2CCCC[C@@H]2CC(=O)[O-])c2ccc([N+](=O)[O-])cc12 ZINC000833016598 602190067 /nfs/dbraw/zinc/19/00/67/602190067.db2.gz BHKOOJHGJOGBJQ-GFCCVEGCSA-N -1 3 332.360 2.540 20 5 EFBDHM O=C([O-])c1cc([N+](=O)[O-])c(NCCN2CCCCC2)cc1Cl ZINC000833306813 602252685 /nfs/dbraw/zinc/25/26/85/602252685.db2.gz IJEYXMSRVYTYGR-UHFFFAOYSA-N -1 3 327.768 2.844 20 5 EFBDHM COc1cc(C)cc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000826177903 607731537 /nfs/dbraw/zinc/73/15/37/607731537.db2.gz AIIWBBIOKFTGAS-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM COc1cc(C)cc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000826177903 607731539 /nfs/dbraw/zinc/73/15/39/607731539.db2.gz AIIWBBIOKFTGAS-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM C[C@H](c1cccc(O)c1)N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820563203 606059795 /nfs/dbraw/zinc/05/97/95/606059795.db2.gz OSYHZIWHHZLDLQ-SNVBAGLBSA-N -1 3 340.343 2.678 20 5 EFBDHM C[C@H](c1cccc(O)c1)N(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820563203 606059798 /nfs/dbraw/zinc/05/97/98/606059798.db2.gz OSYHZIWHHZLDLQ-SNVBAGLBSA-N -1 3 340.343 2.678 20 5 EFBDHM Cc1cc(-c2nn[n-]n2)ccc1OCc1ccc([N+](=O)[O-])cc1F ZINC000822135468 606177285 /nfs/dbraw/zinc/17/72/85/606177285.db2.gz BIINCOLDZVZDEI-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM CCN(CCc1cccs1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821215757 606240006 /nfs/dbraw/zinc/24/00/06/606240006.db2.gz UHSRIVIFTXXLBD-UHFFFAOYSA-N -1 3 344.400 2.905 20 5 EFBDHM CCN(CCc1cccs1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821215757 606240007 /nfs/dbraw/zinc/24/00/07/606240007.db2.gz UHSRIVIFTXXLBD-UHFFFAOYSA-N -1 3 344.400 2.905 20 5 EFBDHM CCS[C@@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821455630 606401013 /nfs/dbraw/zinc/40/10/13/606401013.db2.gz KVMFVFKBYIXMGN-GXSJLCMTSA-N -1 3 349.420 2.646 20 5 EFBDHM CCS[C@@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821455630 606401014 /nfs/dbraw/zinc/40/10/14/606401014.db2.gz KVMFVFKBYIXMGN-GXSJLCMTSA-N -1 3 349.420 2.646 20 5 EFBDHM Cc1ccc([C@@H](C)NCc2ccc(-c3nnn[n-]3)o2)cc1[N+](=O)[O-] ZINC000822229619 606485039 /nfs/dbraw/zinc/48/50/39/606485039.db2.gz YCBJNFHROOOFOU-SNVBAGLBSA-N -1 3 328.332 2.527 20 5 EFBDHM Cc1ccc([C@@H](C)NCc2ccc(-c3nn[n-]n3)o2)cc1[N+](=O)[O-] ZINC000822229619 606485041 /nfs/dbraw/zinc/48/50/41/606485041.db2.gz YCBJNFHROOOFOU-SNVBAGLBSA-N -1 3 328.332 2.527 20 5 EFBDHM Cc1ccc([C@H](C)NCc2ccc(-c3nnn[n-]3)o2)cc1[N+](=O)[O-] ZINC000822229618 606485244 /nfs/dbraw/zinc/48/52/44/606485244.db2.gz YCBJNFHROOOFOU-JTQLQIEISA-N -1 3 328.332 2.527 20 5 EFBDHM Cc1ccc([C@H](C)NCc2ccc(-c3nn[n-]n3)o2)cc1[N+](=O)[O-] ZINC000822229618 606485245 /nfs/dbraw/zinc/48/52/45/606485245.db2.gz YCBJNFHROOOFOU-JTQLQIEISA-N -1 3 328.332 2.527 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCS[C@@H]2CCCC[C@@H]21 ZINC000823629829 606594069 /nfs/dbraw/zinc/59/40/69/606594069.db2.gz IZHFUCYSDNHKKM-GXTWGEPZSA-N -1 3 346.416 2.639 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCS[C@@H]2CCCC[C@@H]21 ZINC000823629829 606594070 /nfs/dbraw/zinc/59/40/70/606594070.db2.gz IZHFUCYSDNHKKM-GXTWGEPZSA-N -1 3 346.416 2.639 20 5 EFBDHM Cc1nc(CCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])sc1C ZINC000822439932 606875505 /nfs/dbraw/zinc/87/55/05/606875505.db2.gz GENCAICTTRSDLI-UHFFFAOYSA-N -1 3 345.388 2.503 20 5 EFBDHM Cc1nc(CCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])sc1C ZINC000822439932 606875507 /nfs/dbraw/zinc/87/55/07/606875507.db2.gz GENCAICTTRSDLI-UHFFFAOYSA-N -1 3 345.388 2.503 20 5 EFBDHM O=[N+]([O-])c1cc(N2CCC[C@@H](C(F)(F)F)C2)ccc1-c1nnn[n-]1 ZINC000826498272 607839258 /nfs/dbraw/zinc/83/92/58/607839258.db2.gz NXXSSTFPNRCUGV-MRVPVSSYSA-N -1 3 342.281 2.554 20 5 EFBDHM O=[N+]([O-])c1ccc(OCc2cccc(-c3nnn[n-]3)c2F)c(F)c1 ZINC000826498715 608673089 /nfs/dbraw/zinc/67/30/89/608673089.db2.gz GUHCPJOOMQKWKI-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1ccc(OCc2cccc(-c3nn[n-]n3)c2F)c(F)c1 ZINC000826498715 608673092 /nfs/dbraw/zinc/67/30/92/608673092.db2.gz GUHCPJOOMQKWKI-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM COc1cc(F)cc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000826180692 608799693 /nfs/dbraw/zinc/79/96/93/608799693.db2.gz SKOIYTCJHLCECQ-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM COc1cc(F)cc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000826180692 608799694 /nfs/dbraw/zinc/79/96/94/608799694.db2.gz SKOIYTCJHLCECQ-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM Cc1ccnc(N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1-c1nnn[n-]1 ZINC000826311711 609537910 /nfs/dbraw/zinc/53/79/10/609537910.db2.gz LTIHMZNXOGWFMS-JTQLQIEISA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1ccnc(N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1-c1nn[n-]n1 ZINC000826311711 609537911 /nfs/dbraw/zinc/53/79/11/609537911.db2.gz LTIHMZNXOGWFMS-JTQLQIEISA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2CN(C)C)cc1[N+](=O)[O-] ZINC000733868378 1265450225 /nfs/dbraw/zinc/45/02/25/1265450225.db2.gz DYEYVTHUBUHMOE-UHFFFAOYSA-N -1 3 349.412 2.766 20 5 EFBDHM CCC1(C(=O)NC/C=C\CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC1 ZINC001107328492 1255612072 /nfs/dbraw/zinc/61/20/72/1255612072.db2.gz MOOGWDAINWTDCC-WAYWQWQTSA-N -1 3 348.403 2.750 20 5 EFBDHM CC(C)CC1(C(=O)NC/C=C\CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001107367941 1255696719 /nfs/dbraw/zinc/69/67/19/1255696719.db2.gz VSCUXDDHPLQIMG-ARJAWSKDSA-N -1 3 348.403 2.606 20 5 EFBDHM CCCCC1(C(=O)NC/C=C/CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001107494045 1255973971 /nfs/dbraw/zinc/97/39/71/1255973971.db2.gz UCEKTTIYXQEJHP-SNAWJCMRSA-N -1 3 348.403 2.750 20 5 EFBDHM CC/C=C(\C)C(=O)NCCC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001089914461 1257754763 /nfs/dbraw/zinc/75/47/63/1257754763.db2.gz AVAYTKSQXCBKPQ-UUILKARUSA-N -1 3 348.403 2.750 20 5 EFBDHM O=C(C=C1CCC1)NCCC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001089925390 1258949168 /nfs/dbraw/zinc/94/91/68/1258949168.db2.gz BCZFYSZZLJHJGE-UHFFFAOYSA-N -1 3 346.387 2.504 20 5 EFBDHM CC1(C(=O)N[C@H]2CC[C@H](CNc3cc[n-]c(=O)c3[N+](=O)[O-])CC2)CC1 ZINC001066451139 1270571684 /nfs/dbraw/zinc/57/16/84/1270571684.db2.gz QWZPDKYWXAWWET-HAQNSBGRSA-N -1 3 348.403 2.582 20 5 EFBDHM O=[N+]([O-])c1ccc2nc(Cl)c(NCc3ncccc3[O-])nc2c1 ZINC001169733991 1273144159 /nfs/dbraw/zinc/14/41/59/1273144159.db2.gz SLVXHMXATIFPAL-UHFFFAOYSA-N -1 3 331.719 2.904 20 5 EFBDHM CN(CCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)CC1CCCC1 ZINC001109358880 1274189348 /nfs/dbraw/zinc/18/93/48/1274189348.db2.gz HWHJHWHRKREQKE-UHFFFAOYSA-N -1 3 336.392 2.536 20 5 EFBDHM Cc1cc(NC2(CNC(=O)c3ccccc3[O-])CC2)ccc1[N+](=O)[O-] ZINC001110075620 1275095938 /nfs/dbraw/zinc/09/59/38/1275095938.db2.gz GCESXLVBLHFJAM-UHFFFAOYSA-N -1 3 341.367 2.983 20 5 EFBDHM C[C@@H](OC(=O)c1cc2occc2[n-]1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000786032438 1275279742 /nfs/dbraw/zinc/27/97/42/1275279742.db2.gz BLWOWMUSSOLLPN-SECBINFHSA-N -1 3 343.295 2.853 20 5 EFBDHM COc1ccc(OCCOC(=O)c2cc3occc3[n-]2)c([N+](=O)[O-])c1 ZINC000786032179 1275281849 /nfs/dbraw/zinc/28/18/49/1275281849.db2.gz SPFGBKSHWLYERZ-UHFFFAOYSA-N -1 3 346.295 2.914 20 5 EFBDHM CCCCC(=O)N(C)CC(C)(C)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001113405731 1277769328 /nfs/dbraw/zinc/76/93/28/1277769328.db2.gz YJSLKJPWOURWQL-UHFFFAOYSA-N -1 3 338.408 2.782 20 5 EFBDHM CN(CC(C)(C)CNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C1=CCCC1 ZINC001113421302 1277792710 /nfs/dbraw/zinc/79/27/10/1277792710.db2.gz CHQRFNARTIQWPW-UHFFFAOYSA-N -1 3 348.403 2.702 20 5 EFBDHM CC(C)(CCC(=O)Nc1ccc(Br)cc1[O-])[N+](=O)[O-] ZINC000822495059 1289014490 /nfs/dbraw/zinc/01/44/90/1289014490.db2.gz ADSOOBSKMGVGMJ-UHFFFAOYSA-N -1 3 331.166 2.929 20 5 EFBDHM O=C(C[N-]c1c([N+](=O)[O-])cccc1[N+](=O)[O-])N1CCc2ccccc21 ZINC000804407431 1280192475 /nfs/dbraw/zinc/19/24/75/1280192475.db2.gz VITGGUDBEWTDQY-UHFFFAOYSA-N -1 3 342.311 2.504 20 5 EFBDHM CCCCCC(=O)NC[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001091310980 1280339506 /nfs/dbraw/zinc/33/95/06/1280339506.db2.gz PCASZIMCCCKFSF-TXEJJXNPSA-N -1 3 336.392 2.582 20 5 EFBDHM CC(C)(C)/C=C\C(=O)NC[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001091445786 1280728337 /nfs/dbraw/zinc/72/83/37/1280728337.db2.gz XXCURGQCHRDRNZ-HYQMVYQGSA-N -1 3 348.403 2.604 20 5 EFBDHM COc1cccc2c(C(=O)OCc3c(F)cccc3[N+](=O)[O-])n[n-]c21 ZINC000808675324 1281859937 /nfs/dbraw/zinc/85/99/37/1281859937.db2.gz CSVGDWHOYDTQBS-UHFFFAOYSA-N -1 3 345.286 2.976 20 5 EFBDHM COc1cccc2c(C(=O)OCc3c(F)cccc3[N+](=O)[O-])[n-]nc21 ZINC000808675324 1281859942 /nfs/dbraw/zinc/85/99/42/1281859942.db2.gz CSVGDWHOYDTQBS-UHFFFAOYSA-N -1 3 345.286 2.976 20 5 EFBDHM Cc1cc(S(=O)(=O)[N-]c2ccc(/C=C/[N+](=O)[O-])cc2)ccc1N ZINC001175903425 1287602295 /nfs/dbraw/zinc/60/22/95/1287602295.db2.gz WZGZDAOFVPPPFO-CMDGGOBGSA-N -1 3 333.369 2.625 20 5 EFBDHM C/C=C(/C)C(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCCCC1 ZINC001093391725 1283757134 /nfs/dbraw/zinc/75/71/34/1283757134.db2.gz ANGCOUXEQBIPJZ-BASWHVEKSA-N -1 3 348.403 2.893 20 5 EFBDHM C/C=C(\C)C(=O)NC1CC2(C1)CC(Nc1cc[n-]c(=O)c1[N+](=O)[O-])C2 ZINC001093429426 1283952209 /nfs/dbraw/zinc/95/22/09/1283952209.db2.gz SBZRGYRKKHXFMV-XCVCLJGOSA-N -1 3 346.387 2.501 20 5 EFBDHM CC(C)c1ccc(C(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC001093603342 1284269525 /nfs/dbraw/zinc/26/95/25/1284269525.db2.gz CBTCQWXFKCZISZ-UHFFFAOYSA-N -1 3 344.371 2.661 20 5 EFBDHM CC1(C(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCCCC1 ZINC001094229797 1284859475 /nfs/dbraw/zinc/85/94/75/1284859475.db2.gz JXRAIMRRQUWKSC-UHFFFAOYSA-N -1 3 336.392 2.584 20 5 EFBDHM O=C(NCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CCCCCCC1 ZINC001094276444 1284900425 /nfs/dbraw/zinc/90/04/25/1284900425.db2.gz LSTQWJBHOVSKMK-UHFFFAOYSA-N -1 3 336.392 2.584 20 5 EFBDHM O=C(NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C12CCC(CC1)CC2 ZINC001094448185 1285114651 /nfs/dbraw/zinc/11/46/51/1285114651.db2.gz LQYOYRUPQPFBHB-UHFFFAOYSA-N -1 3 348.403 2.584 20 5 EFBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Br)[N-]OC/C=C/Cl ZINC000812407361 1285141588 /nfs/dbraw/zinc/14/15/88/1285141588.db2.gz XELVJJDONUQHSE-DAFODLJHSA-N -1 3 349.568 2.700 20 5 EFBDHM C/C=C(/C)C(=O)NCCCCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094944529 1286249289 /nfs/dbraw/zinc/24/92/89/1286249289.db2.gz OXDPZBTXVSFYPC-BASWHVEKSA-N -1 3 336.392 2.750 20 5 EFBDHM COC(=O)c1cc(C(=O)Oc2cc([N+](=O)[O-])c(Cl)cc2C)c[n-]1 ZINC000815954883 1287926891 /nfs/dbraw/zinc/92/68/91/1287926891.db2.gz MWETZNFCWBXTJO-UHFFFAOYSA-N -1 3 338.703 2.891 20 5 EFBDHM Cc1cc(F)c(F)cc1-c1noc(-c2cc([N+](=O)[O-])c[n-]c2=O)n1 ZINC001212935628 1290901304 /nfs/dbraw/zinc/90/13/04/1290901304.db2.gz DLQGUFFWXFTWJW-UHFFFAOYSA-N -1 3 334.238 2.999 20 5 EFBDHM COc1ccc(F)c(-c2noc(-c3cc([N+](=O)[O-])c[n-]c3=O)n2)c1 ZINC001212935652 1290901653 /nfs/dbraw/zinc/90/16/53/1290901653.db2.gz FMXXMLFSMQPSOH-UHFFFAOYSA-N -1 3 332.247 2.560 20 5 EFBDHM CC1(C)OC[C@H](COc2nc3cc(Cl)c([N+](=O)[O-])cc3[n-]2)O1 ZINC001233499402 1312943900 /nfs/dbraw/zinc/94/39/00/1312943900.db2.gz ODIPVQLWCIIOSO-ZETCQYMHSA-N -1 3 327.724 2.655 20 5 EFBDHM CC1(C)OC[C@H](COc2nc3cc([N+](=O)[O-])c(Cl)cc3[n-]2)O1 ZINC001233499402 1312943903 /nfs/dbraw/zinc/94/39/03/1312943903.db2.gz ODIPVQLWCIIOSO-ZETCQYMHSA-N -1 3 327.724 2.655 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccnc1Cl ZINC000016129246 1312950551 /nfs/dbraw/zinc/95/05/51/1312950551.db2.gz FOODRXXYKCUVKV-UHFFFAOYSA-N -1 3 327.749 2.752 20 5 EFBDHM O=[N+]([O-])c1ccccc1N1CC[C@H](Oc2ccc3occ([O-])c3c2)C1 ZINC001233681037 1312969397 /nfs/dbraw/zinc/96/93/97/1312969397.db2.gz QBGXJQXXTMJAHJ-ZDUSSCGKSA-N -1 3 340.335 2.828 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)cc1 ZINC000800052065 1293896727 /nfs/dbraw/zinc/89/67/27/1293896727.db2.gz FHDMJARSLHULAF-UHFFFAOYSA-N -1 3 340.332 2.852 20 5 EFBDHM O=C(COC(=O)c1cccc(Cl)c1[O-])c1ccc([N+](=O)[O-])cc1 ZINC000775931319 1295413791 /nfs/dbraw/zinc/41/37/91/1295413791.db2.gz VTTVJRPLSSANHH-UHFFFAOYSA-N -1 3 335.699 2.994 20 5 EFBDHM CCOc1ccccc1-c1noc(-c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC001212844466 1295539053 /nfs/dbraw/zinc/53/90/53/1295539053.db2.gz VICLLKFPZLRXGS-UHFFFAOYSA-N -1 3 328.284 2.811 20 5 EFBDHM O=c1[n-]cc(-c2nc(-c3ccc(F)c(F)c3F)no2)cc1[N+](=O)[O-] ZINC001212844368 1295542952 /nfs/dbraw/zinc/54/29/52/1295542952.db2.gz PTEUYXONDGSMSK-UHFFFAOYSA-N -1 3 338.201 2.830 20 5 EFBDHM CN1CCC[C@@H](Oc2cc([O-])cc3oc4ccc(O)cc4c(=O)c23)C1 ZINC001234743981 1313187580 /nfs/dbraw/zinc/18/75/80/1313187580.db2.gz IGDAUEDRYFJICI-CYBMUJFWSA-N -1 3 341.363 2.830 20 5 EFBDHM O=[N+]([O-])c1cc(Br)cc([O-])c1O[C@H]1CN2CCC1CC2 ZINC001234875250 1313201885 /nfs/dbraw/zinc/20/18/85/1313201885.db2.gz FPTANNZUONGDEU-LBPRGKRZSA-N -1 3 343.177 2.536 20 5 EFBDHM COC(=O)c1nc2cc(Nc3cc([O-])cc([N+](=O)[O-])c3)ccc2o1 ZINC001201232941 1296639579 /nfs/dbraw/zinc/63/95/79/1296639579.db2.gz VOXBEHWTTKGAMK-UHFFFAOYSA-N -1 3 329.268 2.972 20 5 EFBDHM CC1(C)C(=O)NCc2cccc(Nc3cc([O-])cc([N+](=O)[O-])c3)c21 ZINC001201232859 1296639682 /nfs/dbraw/zinc/63/96/82/1296639682.db2.gz UXGYWRFYCZFJNI-UHFFFAOYSA-N -1 3 327.340 2.951 20 5 EFBDHM COc1cc2c(cc1Nc1cc([O-])cc([N+](=O)[O-])c1)N(C(C)=O)CC2 ZINC001201224632 1296672193 /nfs/dbraw/zinc/67/21/93/1296672193.db2.gz ONBPGHTWGZCUOP-UHFFFAOYSA-N -1 3 343.339 2.962 20 5 EFBDHM Cc1cc(-c2noc(-c3[n-]nc(C(F)(F)F)c3[N+](=O)[O-])n2)ccn1 ZINC001212972546 1297279630 /nfs/dbraw/zinc/27/96/30/1297279630.db2.gz CRIHXCKTCIWLBL-UHFFFAOYSA-N -1 3 340.221 2.757 20 5 EFBDHM O=c1[n-]ccc(N2CCC([C@@H](O)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000853127147 1300016934 /nfs/dbraw/zinc/01/69/34/1300016934.db2.gz SYTJOIACKAEBQF-INIZCTEOSA-N -1 3 329.356 2.645 20 5 EFBDHM CC[C@@](C)(CCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C1OCCO1 ZINC000853392210 1300104166 /nfs/dbraw/zinc/10/41/66/1300104166.db2.gz LBGBMPVVTBSEPW-HNNXBMFYSA-N -1 3 325.365 2.677 20 5 EFBDHM O=c1[n-]ccc(N2CC[C@]3(C2)CCc2ccccc2O3)c1[N+](=O)[O-] ZINC000853636753 1300207224 /nfs/dbraw/zinc/20/72/24/1300207224.db2.gz IOGACFRVQNVOPE-KRWDZBQOSA-N -1 3 327.340 2.670 20 5 EFBDHM CC1(C)CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@](C)(C(F)(F)F)O1 ZINC000853648560 1300212456 /nfs/dbraw/zinc/21/24/56/1300212456.db2.gz NTEUCYZZIBMXSZ-GFCCVEGCSA-N -1 3 335.282 2.632 20 5 EFBDHM C[C@H](CCCNC(=O)OC(C)(C)C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000853650108 1300213524 /nfs/dbraw/zinc/21/35/24/1300213524.db2.gz AXQAKXMMKPUWJZ-SNVBAGLBSA-N -1 3 340.380 2.801 20 5 EFBDHM Cc1nnc([N-]C(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)n1C1CC1 ZINC000854398055 1300548109 /nfs/dbraw/zinc/54/81/09/1300548109.db2.gz SPMHPCSWAZVEKI-UHFFFAOYSA-N -1 3 337.286 2.669 20 5 EFBDHM CC(C)Cc1nsc([N-]C(=O)c2cc([N+](=O)[O-])c(F)cc2N)n1 ZINC000855706862 1301066847 /nfs/dbraw/zinc/06/68/47/1301066847.db2.gz ZAYKRTYQQLQNDE-UHFFFAOYSA-N -1 3 339.352 2.618 20 5 EFBDHM CCC(=CC(=O)N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1)CC ZINC001097006823 1313799759 /nfs/dbraw/zinc/79/97/59/1313799759.db2.gz BFVZERNTKRQNSG-HAQNSBGRSA-N -1 3 334.376 2.501 20 5 EFBDHM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1nnc2ccccc2c1[O-] ZINC000118303891 1302145153 /nfs/dbraw/zinc/14/51/53/1302145153.db2.gz YDZYVYPNKWELDY-UHFFFAOYSA-N -1 3 338.323 2.700 20 5 EFBDHM O=C([N-]c1cc(C(F)(F)F)no1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000748356407 1313886030 /nfs/dbraw/zinc/88/60/30/1313886030.db2.gz NYYXPJYZBHSBNV-UHFFFAOYSA-N -1 3 346.177 2.762 20 5 EFBDHM CCC(CC)CC(=O)N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001097211933 1313911299 /nfs/dbraw/zinc/91/12/99/1313911299.db2.gz IXXXWCQRVCLLOM-TXEJJXNPSA-N -1 3 336.392 2.581 20 5 EFBDHM CCC(C)(C)CC(=O)N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001097221515 1313916081 /nfs/dbraw/zinc/91/60/81/1313916081.db2.gz MADOYBABKIEGQX-PHIMTYICSA-N -1 3 336.392 2.581 20 5 EFBDHM C/C=C(/C)C(=O)N1CCC(CC)(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001066824966 1304447839 /nfs/dbraw/zinc/44/78/39/1304447839.db2.gz WPWVKEXXWUGOBY-QCDXTXTGSA-N -1 3 348.403 2.845 20 5 EFBDHM Cc1c(COC(=O)c2cc(F)cc3[n-]nnc32)cccc1[N+](=O)[O-] ZINC000800259052 1307631852 /nfs/dbraw/zinc/63/18/52/1307631852.db2.gz JAGVGZNQZKTXFJ-UHFFFAOYSA-N -1 3 330.275 2.671 20 5 EFBDHM Cc1c(COC(=O)c2cc(F)cc3nn[n-]c32)cccc1[N+](=O)[O-] ZINC000800259052 1307631855 /nfs/dbraw/zinc/63/18/55/1307631855.db2.gz JAGVGZNQZKTXFJ-UHFFFAOYSA-N -1 3 330.275 2.671 20 5 EFBDHM Cc1c(COC(=O)c2cc(F)cc3n[n-]nc32)cccc1[N+](=O)[O-] ZINC000800259052 1307631857 /nfs/dbraw/zinc/63/18/57/1307631857.db2.gz JAGVGZNQZKTXFJ-UHFFFAOYSA-N -1 3 330.275 2.671 20 5 EFBDHM Cc1nc(C)c(CC(=O)O[C@H](C)c2ccccc2[N+](=O)[O-])c(=O)[n-]1 ZINC000749058290 1314248375 /nfs/dbraw/zinc/24/83/75/1314248375.db2.gz XNOWXVUMJDXTEZ-SNVBAGLBSA-N -1 3 331.328 2.554 20 5 EFBDHM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000801932725 1311118658 /nfs/dbraw/zinc/11/86/58/1311118658.db2.gz WNNLOJGWYFEKFU-UHFFFAOYSA-N -1 3 325.683 2.927 20 5 EFBDHM C=C/C(C)=C/CC(=O)NCCN(CCC)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001101215719 1311226479 /nfs/dbraw/zinc/22/64/79/1311226479.db2.gz CRQGFULIJQXSBC-AWNIVKPZSA-N -1 3 348.403 2.550 20 5 EFBDHM CO[C@H]1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)[C@H](C(=O)[O-])C1 ZINC000902031775 1311340046 /nfs/dbraw/zinc/34/00/46/1311340046.db2.gz LYOMJAWQGVRGTF-BBRMVZONSA-N -1 3 336.388 2.782 20 5 EFBDHM C[C@H](Oc1nccc([O-])c1[N+](=O)[O-])c1cccc(Br)n1 ZINC001225662156 1311561500 /nfs/dbraw/zinc/56/15/00/1311561500.db2.gz RBVCTINDFAUDNC-ZETCQYMHSA-N -1 3 340.133 2.993 20 5 EFBDHM C[C@@H](COc1ccccc1)OCCCOc1nccc([O-])c1[N+](=O)[O-] ZINC001225663280 1311562131 /nfs/dbraw/zinc/56/21/31/1311562131.db2.gz BQUNIRYKVZLAMA-ZDUSSCGKSA-N -1 3 348.355 2.948 20 5 EFBDHM O=[N+]([O-])c1c([O-])ccnc1O[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC001225664363 1311562165 /nfs/dbraw/zinc/56/21/65/1311562165.db2.gz NXWPPHNXJBPFJQ-CYBMUJFWSA-N -1 3 347.346 2.878 20 5 EFBDHM O=c1cc[n-]c(O[C@@H]2CCCN(Cc3ccccc3F)C2)c1[N+](=O)[O-] ZINC001225664363 1311562167 /nfs/dbraw/zinc/56/21/67/1311562167.db2.gz NXWPPHNXJBPFJQ-CYBMUJFWSA-N -1 3 347.346 2.878 20 5 EFBDHM C[C@H](Oc1nccc([O-])c1[N+](=O)[O-])c1cc(Br)no1 ZINC001225665416 1311562258 /nfs/dbraw/zinc/56/22/58/1311562258.db2.gz ZBIHFRDIQDRISO-YFKPBYRVSA-N -1 3 330.094 2.586 20 5 EFBDHM Cc1cnc(=S)[n-]c1O[C@H](C)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001225743287 1311571395 /nfs/dbraw/zinc/57/13/95/1311571395.db2.gz VGYDYERKYZCRPC-MRVPVSSYSA-N -1 3 335.341 2.851 20 5 EFBDHM CC(=O)c1ccc([O-])c(O[C@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)c1 ZINC001225995469 1311599993 /nfs/dbraw/zinc/59/99/93/1311599993.db2.gz RMHLJQQJUJVORA-QGZVFWFLSA-N -1 3 345.307 2.720 20 5 EFBDHM Cc1nnc(=O)[n-]c1O[C@H](c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001226464397 1311672313 /nfs/dbraw/zinc/67/23/13/1311672313.db2.gz PAPZZYQUWQWMIQ-OAHLLOKOSA-N -1 3 338.323 2.962 20 5 EFBDHM COc1cnc(=O)[n-]c1O[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001226827597 1311729554 /nfs/dbraw/zinc/72/95/54/1311729554.db2.gz HYBMVMKQUZDITK-SNVBAGLBSA-N -1 3 345.233 2.781 20 5 EFBDHM CC(=O)[C@H](Oc1[n-]c(=O)nc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC001227096237 1311761571 /nfs/dbraw/zinc/76/15/71/1311761571.db2.gz NGECANPTGIXUNG-HNNXBMFYSA-N -1 3 339.307 2.953 20 5 EFBDHM COc1ccccc1OC[C@H](C)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227690563 1311839791 /nfs/dbraw/zinc/83/97/91/1311839791.db2.gz IREBOAQGLYGWJO-JTQLQIEISA-N -1 3 344.327 2.721 20 5 EFBDHM O=[N+]([O-])c1cnc(O[C@@H]2CCc3c2nccc3Cl)c2[n-]cnc21 ZINC001227693332 1311840516 /nfs/dbraw/zinc/84/05/16/1311840516.db2.gz SXPAZOXYNPTUNY-SNVBAGLBSA-N -1 3 331.719 2.981 20 5 EFBDHM COC(=O)[C@H](Cc1ccccc1)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227745269 1311848947 /nfs/dbraw/zinc/84/89/47/1311848947.db2.gz LMEFWCDWTYCKKL-HNNXBMFYSA-N -1 3 341.323 2.634 20 5 EFBDHM COC(=O)[C@H](Cc1ccccc1)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227745269 1311848949 /nfs/dbraw/zinc/84/89/49/1311848949.db2.gz LMEFWCDWTYCKKL-HNNXBMFYSA-N -1 3 341.323 2.634 20 5 EFBDHM COC(=O)[C@@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)c1ccc(F)cc1 ZINC001227746588 1311849575 /nfs/dbraw/zinc/84/95/75/1311849575.db2.gz UDKKEBNILPJPMG-AWEZNQCLSA-N -1 3 345.286 2.903 20 5 EFBDHM COC(=O)[C@@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)c1ccc(F)cc1 ZINC001227746588 1311849578 /nfs/dbraw/zinc/84/95/78/1311849578.db2.gz UDKKEBNILPJPMG-AWEZNQCLSA-N -1 3 345.286 2.903 20 5 EFBDHM COC(=O)[C@@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)c1ccccc1 ZINC001227746068 1311849876 /nfs/dbraw/zinc/84/98/76/1311849876.db2.gz PYZHVUDTJNUUGV-AWEZNQCLSA-N -1 3 327.296 2.764 20 5 EFBDHM COC(=O)[C@@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)c1ccccc1 ZINC001227746068 1311849879 /nfs/dbraw/zinc/84/98/79/1311849879.db2.gz PYZHVUDTJNUUGV-AWEZNQCLSA-N -1 3 327.296 2.764 20 5 EFBDHM CCOC(=O)[C@@H]1CCC[C@@H]1Oc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1 ZINC001228673309 1311979298 /nfs/dbraw/zinc/97/92/98/1311979298.db2.gz FOZRRHFHPNRHKO-YGRLFVJLSA-N -1 3 333.344 2.890 20 5 EFBDHM CCOC(=O)[C@@H]1CC[C@H](Oc2nc3cc([N+](=O)[O-])c(C)cc3[n-]2)C1 ZINC001228672761 1311979383 /nfs/dbraw/zinc/97/93/83/1311979383.db2.gz AMTJLQLOAWXMJN-MNOVXSKESA-N -1 3 333.344 2.890 20 5 EFBDHM CCCCOC[C@@H](C)OC[C@@H](C)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228688937 1311982363 /nfs/dbraw/zinc/98/23/63/1311982363.db2.gz NAONFWMXRQFGRB-VXGBXAGGSA-N -1 3 342.392 2.993 20 5 EFBDHM COc1cc(-c2nnn[n-]2)ccc1O[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001229337908 1312081064 /nfs/dbraw/zinc/08/10/64/1312081064.db2.gz NTZRZZWWNCQLCB-SNVBAGLBSA-N -1 3 341.327 2.924 20 5 EFBDHM COc1cc(-c2nn[n-]n2)ccc1O[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001229337908 1312081067 /nfs/dbraw/zinc/08/10/67/1312081067.db2.gz NTZRZZWWNCQLCB-SNVBAGLBSA-N -1 3 341.327 2.924 20 5 EFBDHM Cc1ncc(Nc2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)c(=O)[n-]1 ZINC001162300690 1312084022 /nfs/dbraw/zinc/08/40/22/1312084022.db2.gz KRCQEOHRDPWCLX-NSHDSACASA-N -1 3 331.719 2.606 20 5 EFBDHM Cc1ncc(Nc2nc3ccccc3c(Cl)c2[N+](=O)[O-])c(=O)[n-]1 ZINC001162302166 1312084757 /nfs/dbraw/zinc/08/47/57/1312084757.db2.gz XTXYEQWYMXZKRI-JTQLQIEISA-N -1 3 331.719 2.606 20 5 EFBDHM Cc1ncc(Nc2cc3ccc(Cl)nc3cc2[N+](=O)[O-])c(=O)[n-]1 ZINC001162306294 1312085212 /nfs/dbraw/zinc/08/52/12/1312085212.db2.gz WBGWUMIIEPUGIW-LLVKDONJSA-N -1 3 331.719 2.606 20 5 EFBDHM C[C@H](c1ccccn1)N1CC[C@@H](Oc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001229396395 1312088804 /nfs/dbraw/zinc/08/88/04/1312088804.db2.gz SSULXIXVOGVQHR-TZMCWYRMSA-N -1 3 329.356 2.910 20 5 EFBDHM O=c1[nH][n-]cc1CCCNc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001164375880 1312503954 /nfs/dbraw/zinc/50/39/54/1312503954.db2.gz WRLMOJFBJJJAMV-MRVPVSSYSA-N -1 3 330.266 2.538 20 5 EFBDHM Cc1cc(-c2noc(C(=O)[N-]c3ccc([N+](=O)[O-])cc3)n2)ccn1 ZINC001248000505 1314879945 /nfs/dbraw/zinc/87/99/45/1314879945.db2.gz STFOYTYJRIOOGJ-UHFFFAOYSA-N -1 3 325.284 2.601 20 5 EFBDHM Cc1ccnc(-c2noc(C(=O)[N-]c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC001247999758 1314880352 /nfs/dbraw/zinc/88/03/52/1314880352.db2.gz NITZXDRVSOZBJT-UHFFFAOYSA-N -1 3 325.284 2.601 20 5 EFBDHM Nc1ccc(F)cc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1Cl ZINC001248610519 1314947576 /nfs/dbraw/zinc/94/75/76/1314947576.db2.gz CZPLWZFGOIJLQU-UHFFFAOYSA-N -1 3 345.739 2.770 20 5 EFBDHM COc1cc([O-])cc(-c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)c1 ZINC001216976668 1315028097 /nfs/dbraw/zinc/02/80/97/1315028097.db2.gz JQLPGXWJMYYEGH-UHFFFAOYSA-N -1 3 332.247 2.560 20 5 EFBDHM O=[N+]([O-])c1cc([O-])cc(-c2nc3ccc(N4CCOCC4)cc3[nH]2)c1 ZINC001251389408 1315345534 /nfs/dbraw/zinc/34/55/34/1315345534.db2.gz KFKNNQFFEDMFSW-UHFFFAOYSA-N -1 3 340.339 2.680 20 5 EFBDHM CCC1(C(=O)N2CCC(C)(Nc3cc[n-]c(=O)c3[N+](=O)[O-])CC2)CC1 ZINC001067291772 1315693387 /nfs/dbraw/zinc/69/33/87/1315693387.db2.gz QQSUVARRHWFKQW-UHFFFAOYSA-N -1 3 348.403 2.679 20 5 EFBDHM O=c1[n-]cc(-c2nnc(Cc3ccccc3Cl)o2)cc1[N+](=O)[O-] ZINC001254381826 1315700031 /nfs/dbraw/zinc/70/00/31/1315700031.db2.gz ZQTTTYITACKNAA-UHFFFAOYSA-N -1 3 332.703 2.990 20 5 EFBDHM C[C@@H](CCNc1cc[n-]c(=O)c1[N+](=O)[O-])N(C)C(=O)OC(C)(C)C ZINC001327648412 1330504101 /nfs/dbraw/zinc/50/41/01/1330504101.db2.gz LTQYHJMSQQOQAD-JTQLQIEISA-N -1 3 340.380 2.753 20 5 EFBDHM O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1cc(=O)[n-]c(C2CC2)n1 ZINC000847564512 1333911423 /nfs/dbraw/zinc/91/14/23/1333911423.db2.gz AWCWRFVNAWYXNO-UHFFFAOYSA-N -1 3 348.746 2.551 20 5 EFBDHM CCN(CCNC(=O)C1=CCCCCC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100500813 1334152982 /nfs/dbraw/zinc/15/29/82/1334152982.db2.gz CDQXOEFKWJYSBM-UHFFFAOYSA-N -1 3 348.403 2.528 20 5 EFBDHM O=C([N-][C@@H]1C[C@H]1c1ccco1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848593670 1334809163 /nfs/dbraw/zinc/80/91/63/1334809163.db2.gz QLYBMFVYBWGVID-VXGBXAGGSA-N -1 3 338.266 2.832 20 5 EFBDHM Cc1ccc([C@H](C)NCc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000822228929 1442064470 /nfs/dbraw/zinc/06/44/70/1442064470.db2.gz IXAFJQGUMSRYQB-LBPRGKRZSA-N -1 3 338.371 2.934 20 5 EFBDHM Cc1ccc([C@H](C)NCc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000822228929 1442064474 /nfs/dbraw/zinc/06/44/74/1442064474.db2.gz IXAFJQGUMSRYQB-LBPRGKRZSA-N -1 3 338.371 2.934 20 5 EFBDHM C[C@@H](NCc1ccc(-c2nn[n-]n2)s1)c1cccc([N+](=O)[O-])c1 ZINC000820432522 1443718467 /nfs/dbraw/zinc/71/84/67/1443718467.db2.gz PWPXLMOOAKOAFN-SECBINFHSA-N -1 3 330.373 2.687 20 5 EFBDHM C[C@@H](NCc1ccc(-c2nnn[n-]2)s1)c1cccc([N+](=O)[O-])c1 ZINC000820432522 1443718474 /nfs/dbraw/zinc/71/84/74/1443718474.db2.gz PWPXLMOOAKOAFN-SECBINFHSA-N -1 3 330.373 2.687 20 5 EFBDHM O=C(N[C@H]1C[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])C1)c1ccccc1[O-] ZINC001059554006 724495654 /nfs/dbraw/zinc/49/56/54/724495654.db2.gz JDHFTFVOQMXKOP-TXEJJXNPSA-N -1 3 345.330 2.812 20 5 EFBDHM CS[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000866883941 719660438 /nfs/dbraw/zinc/66/04/38/719660438.db2.gz APAXMUDZJHFKQW-UWVGGRQHSA-N -1 3 348.421 2.605 20 5 EFBDHM O=C(C=C1CCCCC1)N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001059573320 724611318 /nfs/dbraw/zinc/61/13/18/724611318.db2.gz KOWHAERFVSFPTK-BETUJISGSA-N -1 3 346.387 2.645 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(NC=C2C(=O)[N-]C(=O)c3ccccc32)c1C ZINC000016720798 721857101 /nfs/dbraw/zinc/85/71/01/721857101.db2.gz LWDCIBGKSUZHHH-NTEUORMPSA-N -1 3 337.335 2.935 20 5 EFBDHM O=C(N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1)C1CCCCCC1 ZINC001059164877 722712292 /nfs/dbraw/zinc/71/22/92/722712292.db2.gz IPMQPUUHFCKDFD-JOCQHMNTSA-N -1 3 348.403 2.725 20 5 EFBDHM CC(C(=O)N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1)=C1CCCC1 ZINC001059180565 722823963 /nfs/dbraw/zinc/82/39/63/722823963.db2.gz KUDQNJUUAHCZAB-JOCQHMNTSA-N -1 3 346.387 2.645 20 5 EFBDHM CCOCCO[N-]C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000897425910 725559626 /nfs/dbraw/zinc/55/96/26/725559626.db2.gz BGCVFFZXRAEVJJ-UHFFFAOYSA-N -1 3 341.122 2.739 20 5 EFBDHM CCN1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@H](C)C1 ZINC000910265539 727424927 /nfs/dbraw/zinc/42/49/27/727424927.db2.gz ISWUKVPNNZOLNZ-SNVBAGLBSA-N -1 3 341.795 2.510 20 5 EFBDHM Cc1c(C(=O)Nc2cc(F)ccc2[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000174890894 729114224 /nfs/dbraw/zinc/11/42/24/729114224.db2.gz ILQBPCZMKXXQMI-UHFFFAOYSA-N -1 3 335.247 2.908 20 5 EFBDHM CCCCN(C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736453596 944826521 /nfs/dbraw/zinc/82/65/21/944826521.db2.gz RHRKYSJCPBULLV-UHFFFAOYSA-N -1 3 327.348 2.559 20 5 EFBDHM CCCCN(C)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736453596 944826528 /nfs/dbraw/zinc/82/65/28/944826528.db2.gz RHRKYSJCPBULLV-UHFFFAOYSA-N -1 3 327.348 2.559 20 5 EFBDHM CC[C@@]1(C(=O)[O-])CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001589606263 949276011 /nfs/dbraw/zinc/27/60/11/949276011.db2.gz HFLABYFQCNIYAN-MRXNPFEDSA-N -1 3 333.344 2.813 20 5 EFBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000903630918 981007253 /nfs/dbraw/zinc/00/72/53/981007253.db2.gz GPSBOJROXFHHRC-CHWSQXEVSA-N -1 3 336.388 2.925 20 5 EFBDHM CC([C@@H](OC(=O)c1cc(C(=O)[O-])co1)c1ccccc1F)[N+](=O)[O-] ZINC001589554292 987300320 /nfs/dbraw/zinc/30/03/20/987300320.db2.gz YTKMTCGUBAKBNS-ISVAXAHUSA-N -1 3 337.259 2.680 20 5 EFBDHM CC(C)(CC(=O)[O-])NCc1cccc([N+](=O)[O-])c1Br ZINC001590649560 990339707 /nfs/dbraw/zinc/33/97/07/990339707.db2.gz RIJZMEVWTTWGAZ-UHFFFAOYSA-N -1 3 331.166 2.700 20 5 EFBDHM CC(C)[C@H]1CCCN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001591088075 991617226 /nfs/dbraw/zinc/61/72/26/991617226.db2.gz XHFOZIQGPTVHAA-AWEZNQCLSA-N -1 3 336.388 2.926 20 5 EFBDHM CN(CCSc1ncc(C(=O)[O-])cc1[N+](=O)[O-])Cc1ccccc1 ZINC001598500538 992429870 /nfs/dbraw/zinc/42/98/70/992429870.db2.gz HJHMFPLCVOZVSN-UHFFFAOYSA-N -1 3 347.396 2.912 20 5 EFBDHM CN(CCc1cccc([N+](=O)[O-])c1)Cc1ccccc1OCC(=O)[O-] ZINC001598501424 992439230 /nfs/dbraw/zinc/43/92/30/992439230.db2.gz GRAVDDTZEABTBE-UHFFFAOYSA-N -1 3 344.367 2.733 20 5 EFBDHM COCc1cccc(CN[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c1 ZINC001599298452 997189867 /nfs/dbraw/zinc/18/98/67/997189867.db2.gz ZSBGMRXOBMLBQY-GOSISDBHSA-N -1 3 344.367 2.831 20 5 EFBDHM C[C@@H]1C[C@H](C)CCN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001580315030 1090860570 /nfs/dbraw/zinc/86/05/70/1090860570.db2.gz BNYGBTKSKVHFQF-NXEZZACHSA-N -1 3 334.355 2.786 20 5 EFBDHM C[C@@H]1C[C@H](C)CCN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001580315030 1090860578 /nfs/dbraw/zinc/86/05/78/1090860578.db2.gz BNYGBTKSKVHFQF-NXEZZACHSA-N -1 3 334.355 2.786 20 5 EFBDHM C[C@H](NCc1cccc(-c2nnn[n-]2)c1F)c1ccc([N+](=O)[O-])cc1 ZINC001580441991 1090900414 /nfs/dbraw/zinc/90/04/14/1090900414.db2.gz XZTQYHPNQDXNHW-JTQLQIEISA-N -1 3 342.334 2.765 20 5 EFBDHM Cc1ccc(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c(Cl)n1 ZINC001581200966 1091092007 /nfs/dbraw/zinc/09/20/07/1091092007.db2.gz ZIIJJWTUNMRBBC-UHFFFAOYSA-N -1 3 345.750 2.744 20 5 EFBDHM Cc1ccc(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c(Cl)n1 ZINC001581200966 1091092011 /nfs/dbraw/zinc/09/20/11/1091092011.db2.gz ZIIJJWTUNMRBBC-UHFFFAOYSA-N -1 3 345.750 2.744 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1Oc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001581214050 1091094791 /nfs/dbraw/zinc/09/47/91/1091094791.db2.gz XXBJYZKVJSBJRS-UHFFFAOYSA-N -1 3 342.271 2.784 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1Oc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001581214050 1091094796 /nfs/dbraw/zinc/09/47/96/1091094796.db2.gz XXBJYZKVJSBJRS-UHFFFAOYSA-N -1 3 342.271 2.784 20 5 EFBDHM O=C(Nc1ccc(Cl)cc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC001582638814 1091594703 /nfs/dbraw/zinc/59/47/03/1091594703.db2.gz DDXYGULQEOPOCY-UHFFFAOYSA-N -1 3 344.718 2.681 20 5 EFBDHM O=C(Nc1ccc(Cl)cc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1 ZINC001582638814 1091594714 /nfs/dbraw/zinc/59/47/14/1091594714.db2.gz DDXYGULQEOPOCY-UHFFFAOYSA-N -1 3 344.718 2.681 20 5 EFBDHM O=[N+]([O-])c1ccc(CSCc2cncc(-c3nnn[n-]3)c2)cc1 ZINC001582803911 1091668687 /nfs/dbraw/zinc/66/86/87/1091668687.db2.gz CDXHEWBWJYPEFH-UHFFFAOYSA-N -1 3 328.357 2.603 20 5 EFBDHM O=[N+]([O-])c1ccc(CSCc2cncc(-c3nn[n-]n3)c2)cc1 ZINC001582803911 1091668695 /nfs/dbraw/zinc/66/86/95/1091668695.db2.gz CDXHEWBWJYPEFH-UHFFFAOYSA-N -1 3 328.357 2.603 20 5 EFBDHM CC(=O)c1c(NCc2ccc(-c3nnn[n-]3)cc2)cccc1[N+](=O)[O-] ZINC001588892453 1093000458 /nfs/dbraw/zinc/00/04/58/1093000458.db2.gz DUKHRGSXMNOEFV-UHFFFAOYSA-N -1 3 338.327 2.590 20 5 EFBDHM CC(=O)c1c(NCc2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC001588892453 1093000462 /nfs/dbraw/zinc/00/04/62/1093000462.db2.gz DUKHRGSXMNOEFV-UHFFFAOYSA-N -1 3 338.327 2.590 20 5 EFBDHM CC(=O)c1ccc(Oc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])cc1 ZINC001588917472 1093010932 /nfs/dbraw/zinc/01/09/32/1093010932.db2.gz LGSVULVGSPURQR-UHFFFAOYSA-N -1 3 325.284 2.770 20 5 EFBDHM CC(=O)c1ccc(Oc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])cc1 ZINC001588917472 1093010936 /nfs/dbraw/zinc/01/09/36/1093010936.db2.gz LGSVULVGSPURQR-UHFFFAOYSA-N -1 3 325.284 2.770 20 5 EFBDHM CC(C)(C)[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CCO1 ZINC001589099593 1093030137 /nfs/dbraw/zinc/03/01/37/1093030137.db2.gz PGVDTQDMRMYIGT-BXUZGUMPSA-N -1 3 346.391 2.781 20 5 EFBDHM CC(C)(C)OC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001589199083 1093046827 /nfs/dbraw/zinc/04/68/27/1093046827.db2.gz VYZJZOJREVLDET-GFCCVEGCSA-N -1 3 346.391 2.559 20 5 EFBDHM CC(C)[C@@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H]1C(C)C ZINC001589518277 1093102262 /nfs/dbraw/zinc/10/22/62/1093102262.db2.gz RXUDWIIUAMIQGY-WFASDCNBSA-N -1 3 330.392 2.892 20 5 EFBDHM CC(C)[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@H]1C(C)C ZINC001589518277 1093102267 /nfs/dbraw/zinc/10/22/67/1093102267.db2.gz RXUDWIIUAMIQGY-WFASDCNBSA-N -1 3 330.392 2.892 20 5 EFBDHM CC(C)C[C@@H]1OCCC[C@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589574576 1093110230 /nfs/dbraw/zinc/11/02/30/1093110230.db2.gz ZCFCHOBMCSHYPZ-HIFRSBDPSA-N -1 3 346.391 2.781 20 5 EFBDHM CC(C)C[C@@H]1OCCC[C@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589574576 1093110235 /nfs/dbraw/zinc/11/02/35/1093110235.db2.gz ZCFCHOBMCSHYPZ-HIFRSBDPSA-N -1 3 346.391 2.781 20 5 EFBDHM CC(C)CCn1ccc(Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])n1 ZINC001589614573 1093115496 /nfs/dbraw/zinc/11/54/96/1093115496.db2.gz XOPOXDNUJSMOCS-UHFFFAOYSA-N -1 3 342.363 2.761 20 5 EFBDHM CC(C)CCn1ccc(Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])n1 ZINC001589614573 1093115500 /nfs/dbraw/zinc/11/55/00/1093115500.db2.gz XOPOXDNUJSMOCS-UHFFFAOYSA-N -1 3 342.363 2.761 20 5 EFBDHM CC(C)O[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1(C)C ZINC001589738979 1093131461 /nfs/dbraw/zinc/13/14/61/1093131461.db2.gz BDKUFFKTBHNZLZ-KGLIPLIRSA-N -1 3 346.391 2.779 20 5 EFBDHM C[C@H](CCc1cccn1C)Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589837112 1093158480 /nfs/dbraw/zinc/15/84/80/1093158480.db2.gz VCRSYIFAFGGGQD-LLVKDONJSA-N -1 3 341.375 2.547 20 5 EFBDHM C[C@H](CCc1cccn1C)Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589837112 1093158481 /nfs/dbraw/zinc/15/84/81/1093158481.db2.gz VCRSYIFAFGGGQD-LLVKDONJSA-N -1 3 341.375 2.547 20 5 EFBDHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)c1ccccc1[N+](=O)[O-] ZINC001589880536 1093164022 /nfs/dbraw/zinc/16/40/22/1093164022.db2.gz CTPDJSSTRKEYAK-SECBINFHSA-N -1 3 343.322 2.525 20 5 EFBDHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)c1ccccc1[N+](=O)[O-] ZINC001589880536 1093164025 /nfs/dbraw/zinc/16/40/25/1093164025.db2.gz CTPDJSSTRKEYAK-SECBINFHSA-N -1 3 343.322 2.525 20 5 EFBDHM C[C@@H](Cc1ccccc1F)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001589899420 1093172483 /nfs/dbraw/zinc/17/24/83/1093172483.db2.gz JWTOBWQRYOCPFK-JTQLQIEISA-N -1 3 342.334 2.957 20 5 EFBDHM C[C@@H](Cc1ccccc1F)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001589899420 1093172487 /nfs/dbraw/zinc/17/24/87/1093172487.db2.gz JWTOBWQRYOCPFK-JTQLQIEISA-N -1 3 342.334 2.957 20 5 EFBDHM C[C@@H](Cc1cccs1)N(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001589902264 1093174316 /nfs/dbraw/zinc/17/43/16/1093174316.db2.gz AUSKQGCIZHEBEB-JTQLQIEISA-N -1 3 344.400 2.904 20 5 EFBDHM C[C@@H](Cc1cccs1)N(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001589902264 1093174320 /nfs/dbraw/zinc/17/43/20/1093174320.db2.gz AUSKQGCIZHEBEB-JTQLQIEISA-N -1 3 344.400 2.904 20 5 EFBDHM C[C@@]1(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)C=CCC1 ZINC001590069119 1093249339 /nfs/dbraw/zinc/24/93/39/1093249339.db2.gz HOGPJMYRHBKPOF-CQSZACIVSA-N -1 3 348.750 2.723 20 5 EFBDHM C[C@@]1(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)C=CCC1 ZINC001590069119 1093249343 /nfs/dbraw/zinc/24/93/43/1093249343.db2.gz HOGPJMYRHBKPOF-CQSZACIVSA-N -1 3 348.750 2.723 20 5 EFBDHM CC1(C(=O)OCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCCCC1 ZINC001590071067 1093250489 /nfs/dbraw/zinc/25/04/89/1093250489.db2.gz GDYQKHVEBLHWIR-UHFFFAOYSA-N -1 3 345.359 2.789 20 5 EFBDHM CC1(C(=O)OCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCCCC1 ZINC001590071067 1093250501 /nfs/dbraw/zinc/25/05/01/1093250501.db2.gz GDYQKHVEBLHWIR-UHFFFAOYSA-N -1 3 345.359 2.789 20 5 EFBDHM CC1(C)C[C@H](CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C(C)(C)O1 ZINC001590080450 1093253163 /nfs/dbraw/zinc/25/31/63/1093253163.db2.gz MROHZVUKDVSOJN-SNVBAGLBSA-N -1 3 346.391 2.781 20 5 EFBDHM CC1(C)C[C@H](CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C(C)(C)O1 ZINC001590079820 1093254296 /nfs/dbraw/zinc/25/42/96/1093254296.db2.gz KINMKXRIZKAKHX-SNVBAGLBSA-N -1 3 346.391 2.781 20 5 EFBDHM CC1(C)C[C@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C(C)(C)O1 ZINC001590079820 1093254300 /nfs/dbraw/zinc/25/43/00/1093254300.db2.gz KINMKXRIZKAKHX-SNVBAGLBSA-N -1 3 346.391 2.781 20 5 EFBDHM CC1(C)C[C@H](Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C(C)(C)O1 ZINC001590083520 1093254744 /nfs/dbraw/zinc/25/47/44/1093254744.db2.gz HMJPCYRKKBDUOJ-NSHDSACASA-N -1 3 332.364 2.533 20 5 EFBDHM CC1(C)C[C@H](Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C(C)(C)O1 ZINC001590083520 1093254750 /nfs/dbraw/zinc/25/47/50/1093254750.db2.gz HMJPCYRKKBDUOJ-NSHDSACASA-N -1 3 332.364 2.533 20 5 EFBDHM CC1(C)CC[C@H](CCNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])OC1 ZINC001590089205 1093260110 /nfs/dbraw/zinc/26/01/10/1093260110.db2.gz JXKDSXDPZBFKEU-GFCCVEGCSA-N -1 3 346.391 2.782 20 5 EFBDHM CC1(C)CC[C@H](CCNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])OC1 ZINC001590089205 1093260115 /nfs/dbraw/zinc/26/01/15/1093260115.db2.gz JXKDSXDPZBFKEU-GFCCVEGCSA-N -1 3 346.391 2.782 20 5 EFBDHM CC1(C)CCC[C@@H](CNc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001590095752 1093266306 /nfs/dbraw/zinc/26/63/06/1093266306.db2.gz ZLEWYTSYQGKGQE-SNVBAGLBSA-N -1 3 345.407 2.985 20 5 EFBDHM CC1(C)CCC[C@@H](CNc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001590095752 1093266310 /nfs/dbraw/zinc/26/63/10/1093266310.db2.gz ZLEWYTSYQGKGQE-SNVBAGLBSA-N -1 3 345.407 2.985 20 5 EFBDHM CC1(C)CCC[C@@](O)(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001590095608 1093267587 /nfs/dbraw/zinc/26/75/87/1093267587.db2.gz BFBVAFCXFYUUEO-INIZCTEOSA-N -1 3 346.391 2.518 20 5 EFBDHM C[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC12CCC2 ZINC001590274460 1093356159 /nfs/dbraw/zinc/35/61/59/1093356159.db2.gz LJSGGNASPRQUGC-LLVKDONJSA-N -1 3 328.376 2.791 20 5 EFBDHM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)Cc2ccccc21 ZINC001590316286 1093372245 /nfs/dbraw/zinc/37/22/45/1093372245.db2.gz QJSCYQFZBPPVRX-LLVKDONJSA-N -1 3 336.355 2.899 20 5 EFBDHM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)Cc2ccccc21 ZINC001590316286 1093372252 /nfs/dbraw/zinc/37/22/52/1093372252.db2.gz QJSCYQFZBPPVRX-LLVKDONJSA-N -1 3 336.355 2.899 20 5 EFBDHM CCC1(CC)CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001590491273 1093451661 /nfs/dbraw/zinc/45/16/61/1093451661.db2.gz PYQSVPBXPJQNEF-UHFFFAOYSA-N -1 3 331.380 2.577 20 5 EFBDHM CCC1(CC)CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001590491273 1093451665 /nfs/dbraw/zinc/45/16/65/1093451665.db2.gz PYQSVPBXPJQNEF-UHFFFAOYSA-N -1 3 331.380 2.577 20 5 EFBDHM CCC1(CC)[C@H](Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C[C@@H]1OC ZINC001590492656 1093453669 /nfs/dbraw/zinc/45/36/69/1093453669.db2.gz SOMHWZIBNPCIJA-KGLIPLIRSA-N -1 3 346.391 2.781 20 5 EFBDHM CCC1(CC)[C@H](OC)C[C@@H]1Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590492659 1093454094 /nfs/dbraw/zinc/45/40/94/1093454094.db2.gz SOMHWZIBNPCIJA-UONOGXRCSA-N -1 3 346.391 2.781 20 5 EFBDHM CCC1(CC)[C@H](Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C[C@H]1OC ZINC001590492662 1093454354 /nfs/dbraw/zinc/45/43/54/1093454354.db2.gz SOMHWZIBNPCIJA-ZIAGYGMSSA-N -1 3 346.391 2.781 20 5 EFBDHM CCC[C@H](O)CCCSc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590560810 1093488105 /nfs/dbraw/zinc/48/81/05/1093488105.db2.gz QSQXNMXOVBHSLJ-NSHDSACASA-N -1 3 337.405 2.808 20 5 EFBDHM CCC[C@H](O)CCCSc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590560810 1093488112 /nfs/dbraw/zinc/48/81/12/1093488112.db2.gz QSQXNMXOVBHSLJ-NSHDSACASA-N -1 3 337.405 2.808 20 5 EFBDHM CCCC1CCC(Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001590567292 1093491909 /nfs/dbraw/zinc/49/19/09/1093491909.db2.gz OJEPCECCADETTI-UHFFFAOYSA-N -1 3 331.380 2.941 20 5 EFBDHM CCCC1CCC(Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001590567292 1093491912 /nfs/dbraw/zinc/49/19/12/1093491912.db2.gz OJEPCECCADETTI-UHFFFAOYSA-N -1 3 331.380 2.941 20 5 EFBDHM CCCC[C@H](CC)CNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001590580147 1093500720 /nfs/dbraw/zinc/50/07/20/1093500720.db2.gz XWEOWOBZSAQPNS-JTQLQIEISA-N -1 3 333.396 2.985 20 5 EFBDHM CCCC[C@H](CC)CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001590580147 1093500723 /nfs/dbraw/zinc/50/07/23/1093500723.db2.gz XWEOWOBZSAQPNS-JTQLQIEISA-N -1 3 333.396 2.985 20 5 EFBDHM CCCCCCC(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590590071 1093502607 /nfs/dbraw/zinc/50/26/07/1093502607.db2.gz NLNQEHDHOAZZMR-UHFFFAOYSA-N -1 3 333.348 2.789 20 5 EFBDHM CCCCCCC(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590590071 1093502611 /nfs/dbraw/zinc/50/26/11/1093502611.db2.gz NLNQEHDHOAZZMR-UHFFFAOYSA-N -1 3 333.348 2.789 20 5 EFBDHM CCCO[C@H]1CCCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC1 ZINC001590641494 1093528290 /nfs/dbraw/zinc/52/82/90/1093528290.db2.gz UFSJUMFCTDJNAX-ZDUSSCGKSA-N -1 3 346.391 2.560 20 5 EFBDHM CCCO[C@H]1CCCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CC1 ZINC001590641494 1093528301 /nfs/dbraw/zinc/52/83/01/1093528301.db2.gz UFSJUMFCTDJNAX-ZDUSSCGKSA-N -1 3 346.391 2.560 20 5 EFBDHM CCCO[C@@H]1CCCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC1 ZINC001590641492 1093528602 /nfs/dbraw/zinc/52/86/02/1093528602.db2.gz UFSJUMFCTDJNAX-CYBMUJFWSA-N -1 3 346.391 2.560 20 5 EFBDHM CCCO[C@@H]1CCCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CC1 ZINC001590641492 1093528609 /nfs/dbraw/zinc/52/86/09/1093528609.db2.gz UFSJUMFCTDJNAX-CYBMUJFWSA-N -1 3 346.391 2.560 20 5 EFBDHM CCO[C@H]1C[C@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C12CCC2 ZINC001590793978 1093574223 /nfs/dbraw/zinc/57/42/23/1093574223.db2.gz SSXZLBXIRCBLIM-KBPBESRZSA-N -1 3 344.375 2.535 20 5 EFBDHM CCO[C@H]1C[C@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C12CCC2 ZINC001590793978 1093574227 /nfs/dbraw/zinc/57/42/27/1093574227.db2.gz SSXZLBXIRCBLIM-KBPBESRZSA-N -1 3 344.375 2.535 20 5 EFBDHM CCOc1ccc([N+](=O)[O-])cc1C=Cc1ccncc1-c1nnn[n-]1 ZINC001590839880 1093591630 /nfs/dbraw/zinc/59/16/30/1093591630.db2.gz IJUUWULXDZLCAI-ARJAWSKDSA-N -1 3 338.327 2.739 20 5 EFBDHM CCOc1ccc([N+](=O)[O-])cc1C=Cc1ccncc1-c1nn[n-]n1 ZINC001590839880 1093591632 /nfs/dbraw/zinc/59/16/32/1093591632.db2.gz IJUUWULXDZLCAI-ARJAWSKDSA-N -1 3 338.327 2.739 20 5 EFBDHM CCOc1cccc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC001590841560 1093594961 /nfs/dbraw/zinc/59/49/61/1093594961.db2.gz SRMWRVCBSKBVOD-UHFFFAOYSA-N -1 3 340.343 2.786 20 5 EFBDHM CCOc1cccc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC001590841560 1093594968 /nfs/dbraw/zinc/59/49/68/1093594968.db2.gz SRMWRVCBSKBVOD-UHFFFAOYSA-N -1 3 340.343 2.786 20 5 EFBDHM CCS[C@H]1CCCCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001590852736 1093598740 /nfs/dbraw/zinc/59/87/40/1093598740.db2.gz NSMPOYBTBLUKNW-LBPRGKRZSA-N -1 3 348.432 2.887 20 5 EFBDHM CCS[C@H]1CCCCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001590852736 1093598749 /nfs/dbraw/zinc/59/87/49/1093598749.db2.gz NSMPOYBTBLUKNW-LBPRGKRZSA-N -1 3 348.432 2.887 20 5 EFBDHM CCc1cc(Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])ccc1F ZINC001590883661 1093614027 /nfs/dbraw/zinc/61/40/27/1093614027.db2.gz LBHUMVNWYXGYCL-UHFFFAOYSA-N -1 3 329.295 2.615 20 5 EFBDHM CCc1cc(Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])ccc1F ZINC001590883661 1093614028 /nfs/dbraw/zinc/61/40/28/1093614028.db2.gz LBHUMVNWYXGYCL-UHFFFAOYSA-N -1 3 329.295 2.615 20 5 EFBDHM CCc1csc([C@@H](C)Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)n1 ZINC001590902880 1093627871 /nfs/dbraw/zinc/62/78/71/1093627871.db2.gz XRVCUHPKJOTXAD-MRVPVSSYSA-N -1 3 345.388 2.967 20 5 EFBDHM CN(Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])c1ccccc1F ZINC001591126358 1093664045 /nfs/dbraw/zinc/66/40/45/1093664045.db2.gz SIYQVDILHWBING-UHFFFAOYSA-N -1 3 328.307 2.550 20 5 EFBDHM CN(Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])c1ccccc1F ZINC001591126358 1093664049 /nfs/dbraw/zinc/66/40/49/1093664049.db2.gz SIYQVDILHWBING-UHFFFAOYSA-N -1 3 328.307 2.550 20 5 EFBDHM CN(Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC001591126192 1093664238 /nfs/dbraw/zinc/66/42/38/1093664238.db2.gz QNHAEXXDFBBIJI-UHFFFAOYSA-N -1 3 346.297 2.690 20 5 EFBDHM CN(Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC001591126192 1093664241 /nfs/dbraw/zinc/66/42/41/1093664241.db2.gz QNHAEXXDFBBIJI-UHFFFAOYSA-N -1 3 346.297 2.690 20 5 EFBDHM CN(Cc1cc(-c2nnn[n-]2)cs1)Cc1c(F)cccc1[N+](=O)[O-] ZINC001591129945 1093666912 /nfs/dbraw/zinc/66/69/12/1093666912.db2.gz ATVKWNUESKXUPU-UHFFFAOYSA-N -1 3 348.363 2.608 20 5 EFBDHM CN(Cc1cc(-c2nn[n-]n2)cs1)Cc1c(F)cccc1[N+](=O)[O-] ZINC001591129945 1093666915 /nfs/dbraw/zinc/66/69/15/1093666915.db2.gz ATVKWNUESKXUPU-UHFFFAOYSA-N -1 3 348.363 2.608 20 5 EFBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001591136361 1093668803 /nfs/dbraw/zinc/66/88/03/1093668803.db2.gz WZMFKHOPVPNQTR-UHFFFAOYSA-N -1 3 342.334 2.546 20 5 EFBDHM CN(Cc1ccccc1F)c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591148989 1093673535 /nfs/dbraw/zinc/67/35/35/1093673535.db2.gz QNQXHAABSJBOOL-UHFFFAOYSA-N -1 3 328.307 2.550 20 5 EFBDHM CN(Cc1ccccc1F)c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591148989 1093673539 /nfs/dbraw/zinc/67/35/39/1093673539.db2.gz QNQXHAABSJBOOL-UHFFFAOYSA-N -1 3 328.307 2.550 20 5 EFBDHM CN(c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC001591155933 1093676084 /nfs/dbraw/zinc/67/60/84/1093676084.db2.gz YEPXJSWCJKTKRZ-AWEZNQCLSA-N -1 3 336.355 2.899 20 5 EFBDHM CN(c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC001591155933 1093676088 /nfs/dbraw/zinc/67/60/88/1093676088.db2.gz YEPXJSWCJKTKRZ-AWEZNQCLSA-N -1 3 336.355 2.899 20 5 EFBDHM CO[C@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])c1ccccc1 ZINC001591329299 1093694041 /nfs/dbraw/zinc/69/40/41/1093694041.db2.gz OJIDYBUJBPSTIZ-CQSZACIVSA-N -1 3 340.343 2.575 20 5 EFBDHM CO[C@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])c1ccccc1 ZINC001591329299 1093694043 /nfs/dbraw/zinc/69/40/43/1093694043.db2.gz OJIDYBUJBPSTIZ-CQSZACIVSA-N -1 3 340.343 2.575 20 5 EFBDHM CO[C@]1(C)C[C@@H](Nc2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)C1(C)C ZINC001591338100 1093696324 /nfs/dbraw/zinc/69/63/24/1093696324.db2.gz BVXFCRFQEBPDOS-CZUORRHYSA-N -1 3 346.391 2.699 20 5 EFBDHM CO[C@]1(C)C[C@@H](Nc2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)C1(C)C ZINC001591338100 1093696329 /nfs/dbraw/zinc/69/63/29/1093696329.db2.gz BVXFCRFQEBPDOS-CZUORRHYSA-N -1 3 346.391 2.699 20 5 EFBDHM CO[C@@]1(C)C[C@@H](Nc2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)C1(C)C ZINC001591338098 1093696851 /nfs/dbraw/zinc/69/68/51/1093696851.db2.gz BVXFCRFQEBPDOS-CJNGLKHVSA-N -1 3 346.391 2.699 20 5 EFBDHM CO[C@@]1(C)C[C@@H](Nc2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)C1(C)C ZINC001591338098 1093696857 /nfs/dbraw/zinc/69/68/57/1093696857.db2.gz BVXFCRFQEBPDOS-CJNGLKHVSA-N -1 3 346.391 2.699 20 5 EFBDHM COc1ccc(C)cc1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591577293 1093776225 /nfs/dbraw/zinc/77/62/25/1093776225.db2.gz CAFMDBSVUNYACW-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM COc1ccc(C)cc1CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591577293 1093776233 /nfs/dbraw/zinc/77/62/33/1093776233.db2.gz CAFMDBSVUNYACW-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM COc1ccc(NCc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c(F)c1 ZINC001591618364 1093801426 /nfs/dbraw/zinc/80/14/26/1093801426.db2.gz QRGZFZOUQGCIBA-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM COc1ccc(NCc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c(F)c1 ZINC001591618364 1093801431 /nfs/dbraw/zinc/80/14/31/1093801431.db2.gz QRGZFZOUQGCIBA-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM CS[C@@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001591689469 1093824147 /nfs/dbraw/zinc/82/41/47/1093824147.db2.gz FEDLHSDFXGGBGP-MWLCHTKSSA-N -1 3 334.405 2.861 20 5 EFBDHM CS[C@@H]1CC[C@@H](Nc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001591689040 1093825392 /nfs/dbraw/zinc/82/53/92/1093825392.db2.gz BIJDDSYJXCKKGH-HTQZYQBOSA-N -1 3 338.368 2.610 20 5 EFBDHM CS[C@@H]1CC[C@@H](Nc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001591689040 1093825399 /nfs/dbraw/zinc/82/53/99/1093825399.db2.gz BIJDDSYJXCKKGH-HTQZYQBOSA-N -1 3 338.368 2.610 20 5 EFBDHM CS[C@@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001591702714 1093834196 /nfs/dbraw/zinc/83/41/96/1093834196.db2.gz SYMJGIWQTLOHKZ-DGCLKSJQSA-N -1 3 334.405 2.861 20 5 EFBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1cccc(O)c1 ZINC001591730085 1093846714 /nfs/dbraw/zinc/84/67/14/1093846714.db2.gz RWNOEZYSQCDQBD-SECBINFHSA-N -1 3 326.316 2.654 20 5 EFBDHM Cc1c(COc2cc(F)cc(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC001591818119 1093870346 /nfs/dbraw/zinc/87/03/46/1093870346.db2.gz FDVFASCPXGNYGQ-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1c(COc2cc(F)cc(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC001591818119 1093870352 /nfs/dbraw/zinc/87/03/52/1093870352.db2.gz FDVFASCPXGNYGQ-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1c([N+](=O)[O-])ccc(F)c1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001591830102 1093876647 /nfs/dbraw/zinc/87/66/47/1093876647.db2.gz HMRPNCIQUJZSLA-UHFFFAOYSA-N -1 3 346.297 2.974 20 5 EFBDHM Cc1c([N+](=O)[O-])ccc(F)c1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001591830102 1093876649 /nfs/dbraw/zinc/87/66/49/1093876649.db2.gz HMRPNCIQUJZSLA-UHFFFAOYSA-N -1 3 346.297 2.974 20 5 EFBDHM Cc1cc(-c2nnn[n-]2)ccc1CN1CCc2c1cccc2[N+](=O)[O-] ZINC001591868031 1093903717 /nfs/dbraw/zinc/90/37/17/1093903717.db2.gz WTTADRXRABTYLJ-UHFFFAOYSA-N -1 3 336.355 2.646 20 5 EFBDHM Cc1cc(-c2nn[n-]n2)ccc1CN1CCc2c1cccc2[N+](=O)[O-] ZINC001591868031 1093903723 /nfs/dbraw/zinc/90/37/23/1093903723.db2.gz WTTADRXRABTYLJ-UHFFFAOYSA-N -1 3 336.355 2.646 20 5 EFBDHM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cscc1-c1nnn[n-]1 ZINC001591950550 1093930577 /nfs/dbraw/zinc/93/05/77/1093930577.db2.gz CIEKKWUDBAOAIT-UHFFFAOYSA-N -1 3 344.356 2.706 20 5 EFBDHM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cscc1-c1nn[n-]n1 ZINC001591950550 1093930582 /nfs/dbraw/zinc/93/05/82/1093930582.db2.gz CIEKKWUDBAOAIT-UHFFFAOYSA-N -1 3 344.356 2.706 20 5 EFBDHM Cc1cc(N2CCc3ccc(-c4nnn[n-]4)cc32)c([N+](=O)[O-])s1 ZINC001592009977 1093952799 /nfs/dbraw/zinc/95/27/99/1093952799.db2.gz YUDJEINHLGIWNQ-UHFFFAOYSA-N -1 3 328.357 2.839 20 5 EFBDHM Cc1cc(N2CCc3ccc(-c4nn[n-]n4)cc32)c([N+](=O)[O-])s1 ZINC001592009977 1093952802 /nfs/dbraw/zinc/95/28/02/1093952802.db2.gz YUDJEINHLGIWNQ-UHFFFAOYSA-N -1 3 328.357 2.839 20 5 EFBDHM Cc1cc(NC(=O)c2cc(-c3nnn[n-]3)ccc2C)cc([N+](=O)[O-])c1 ZINC001592029482 1093959879 /nfs/dbraw/zinc/95/98/79/1093959879.db2.gz UKWQMZNAALXQIE-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM Cc1cc(NC(=O)c2cc(-c3nn[n-]n3)ccc2C)cc([N+](=O)[O-])c1 ZINC001592029482 1093959884 /nfs/dbraw/zinc/95/98/84/1093959884.db2.gz UKWQMZNAALXQIE-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM Cc1ccc([C@H](C)Nc2cc(C)c(-c3nnn[n-]3)cn2)cc1[N+](=O)[O-] ZINC001592035282 1093962859 /nfs/dbraw/zinc/96/28/59/1093962859.db2.gz ULWSBUJFCCWEAM-NSHDSACASA-N -1 3 339.359 2.960 20 5 EFBDHM Cc1ccc([C@H](C)Nc2cc(C)c(-c3nn[n-]n3)cn2)cc1[N+](=O)[O-] ZINC001592035282 1093962862 /nfs/dbraw/zinc/96/28/62/1093962862.db2.gz ULWSBUJFCCWEAM-NSHDSACASA-N -1 3 339.359 2.960 20 5 EFBDHM Cc1cc(NC2CC(Cl)(Cl)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592036250 1093963380 /nfs/dbraw/zinc/96/33/80/1093963380.db2.gz IPBKWTIYGPHIQG-UHFFFAOYSA-N -1 3 343.174 2.832 20 5 EFBDHM Cc1cc(NC2CC(Cl)(Cl)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592036250 1093963383 /nfs/dbraw/zinc/96/33/83/1093963383.db2.gz IPBKWTIYGPHIQG-UHFFFAOYSA-N -1 3 343.174 2.832 20 5 EFBDHM Cc1cc(N[C@H]2CCOC3(CCC3)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592039683 1093964090 /nfs/dbraw/zinc/96/40/90/1093964090.db2.gz FHPJASRERXFRQD-NSHDSACASA-N -1 3 344.375 2.597 20 5 EFBDHM Cc1cc(N[C@H]2CCOC3(CCC3)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592039683 1093964094 /nfs/dbraw/zinc/96/40/94/1093964094.db2.gz FHPJASRERXFRQD-NSHDSACASA-N -1 3 344.375 2.597 20 5 EFBDHM Cc1cc(NC[C@H]2C(C)(C)C2(F)F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592044492 1093965445 /nfs/dbraw/zinc/96/54/45/1093965445.db2.gz OGXDMICVKIJZCD-NSHDSACASA-N -1 3 338.318 2.787 20 5 EFBDHM Cc1cc(NC[C@H]2C(C)(C)C2(F)F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592044492 1093965451 /nfs/dbraw/zinc/96/54/51/1093965451.db2.gz OGXDMICVKIJZCD-NSHDSACASA-N -1 3 338.318 2.787 20 5 EFBDHM Cc1cc(NC[C@@H]2Cc3ccccc32)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592045381 1093965599 /nfs/dbraw/zinc/96/55/99/1093965599.db2.gz RHLODUQLELBCQD-LBPRGKRZSA-N -1 3 336.355 2.835 20 5 EFBDHM Cc1cc(NC[C@@H]2Cc3ccccc32)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592045381 1093965602 /nfs/dbraw/zinc/96/56/02/1093965602.db2.gz RHLODUQLELBCQD-LBPRGKRZSA-N -1 3 336.355 2.835 20 5 EFBDHM Cc1cc(NCC2(O)CCCCCC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592042641 1093965685 /nfs/dbraw/zinc/96/56/85/1093965685.db2.gz LETMXPNFMHIUDQ-UHFFFAOYSA-N -1 3 346.391 2.581 20 5 EFBDHM Cc1cc(NCC2(O)CCCCCC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592042641 1093965687 /nfs/dbraw/zinc/96/56/87/1093965687.db2.gz LETMXPNFMHIUDQ-UHFFFAOYSA-N -1 3 346.391 2.581 20 5 EFBDHM Cc1cc(NCc2ccc(-c3nnn[n-]3)c(F)c2)ccc1[N+](=O)[O-] ZINC001592052195 1093966997 /nfs/dbraw/zinc/96/69/97/1093966997.db2.gz CCKUYUAFKUMVES-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM Cc1cc(NCc2ccc(-c3nn[n-]n3)c(F)c2)ccc1[N+](=O)[O-] ZINC001592052195 1093967001 /nfs/dbraw/zinc/96/70/01/1093967001.db2.gz CCKUYUAFKUMVES-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM Cc1cc(NCCCOC2CCCC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592048868 1093967697 /nfs/dbraw/zinc/96/76/97/1093967697.db2.gz QTGDUANWWVAJFW-UHFFFAOYSA-N -1 3 346.391 2.845 20 5 EFBDHM Cc1cc(NCCCOC2CCCC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592048868 1093967699 /nfs/dbraw/zinc/96/76/99/1093967699.db2.gz QTGDUANWWVAJFW-UHFFFAOYSA-N -1 3 346.391 2.845 20 5 EFBDHM Cc1cc(Oc2cc(Cl)ccc2[N+](=O)[O-])c(-c2nnn[n-]2)cn1 ZINC001592062593 1093972026 /nfs/dbraw/zinc/97/20/26/1093972026.db2.gz GFBFXWAWOWTTRP-UHFFFAOYSA-N -1 3 332.707 2.924 20 5 EFBDHM Cc1cc(Oc2cc(Cl)ccc2[N+](=O)[O-])c(-c2nn[n-]n2)cn1 ZINC001592062593 1093972027 /nfs/dbraw/zinc/97/20/27/1093972027.db2.gz GFBFXWAWOWTTRP-UHFFFAOYSA-N -1 3 332.707 2.924 20 5 EFBDHM Cc1cc(Oc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])ccc1Cl ZINC001592062371 1093972229 /nfs/dbraw/zinc/97/22/29/1093972229.db2.gz DINAMEYUVIKCOT-UHFFFAOYSA-N -1 3 332.707 2.924 20 5 EFBDHM Cc1cc(Oc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])ccc1Cl ZINC001592062371 1093972230 /nfs/dbraw/zinc/97/22/30/1093972230.db2.gz DINAMEYUVIKCOT-UHFFFAOYSA-N -1 3 332.707 2.924 20 5 EFBDHM Cc1ccc(-c2nnn[n-]2)c(SCc2ccc([N+](=O)[O-])cc2)n1 ZINC001592096117 1093977803 /nfs/dbraw/zinc/97/78/03/1093977803.db2.gz WHNWCFVFZMQZQY-UHFFFAOYSA-N -1 3 328.357 2.771 20 5 EFBDHM Cc1ccc(-c2nn[n-]n2)c(SCc2ccc([N+](=O)[O-])cc2)n1 ZINC001592096117 1093977804 /nfs/dbraw/zinc/97/78/04/1093977804.db2.gz WHNWCFVFZMQZQY-UHFFFAOYSA-N -1 3 328.357 2.771 20 5 EFBDHM Cc1ccc(N[C@@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)c([N+](=O)[O-])c1 ZINC001592184274 1094021350 /nfs/dbraw/zinc/02/13/50/1094021350.db2.gz QRBXKTVXBCFRBJ-CQSZACIVSA-N -1 3 336.355 2.663 20 5 EFBDHM Cc1ccc(N[C@@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)c([N+](=O)[O-])c1 ZINC001592184274 1094021357 /nfs/dbraw/zinc/02/13/57/1094021357.db2.gz QRBXKTVXBCFRBJ-CQSZACIVSA-N -1 3 336.355 2.663 20 5 EFBDHM Cc1csc(NC(=O)c2cc([N+](=O)[O-])ccc2C)c1-c1nnn[n-]1 ZINC001592197202 1094024944 /nfs/dbraw/zinc/02/49/44/1094024944.db2.gz AKRLAUMELOKPLF-UHFFFAOYSA-N -1 3 344.356 2.706 20 5 EFBDHM Cc1csc(NC(=O)c2cc([N+](=O)[O-])ccc2C)c1-c1nn[n-]n1 ZINC001592197202 1094024948 /nfs/dbraw/zinc/02/49/48/1094024948.db2.gz AKRLAUMELOKPLF-UHFFFAOYSA-N -1 3 344.356 2.706 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001592198033 1094025102 /nfs/dbraw/zinc/02/51/02/1094025102.db2.gz UREDSQMFRWOQOF-UHFFFAOYSA-N -1 3 344.356 2.706 20 5 EFBDHM Cc1ccccc1C1=CCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001592253339 1094052054 /nfs/dbraw/zinc/05/20/54/1094052054.db2.gz RHMAIYYFVQKVDO-UHFFFAOYSA-N -1 3 348.366 2.987 20 5 EFBDHM Cc1ccccc1C1=CCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001592253339 1094052058 /nfs/dbraw/zinc/05/20/58/1094052058.db2.gz RHMAIYYFVQKVDO-UHFFFAOYSA-N -1 3 348.366 2.987 20 5 EFBDHM Cc1ccccc1C[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592257942 1094055561 /nfs/dbraw/zinc/05/55/61/1094055561.db2.gz ZQNJFXMZYVUWDT-NSHDSACASA-N -1 3 339.359 2.521 20 5 EFBDHM Cc1ccccc1C[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592257942 1094055567 /nfs/dbraw/zinc/05/55/67/1094055567.db2.gz ZQNJFXMZYVUWDT-NSHDSACASA-N -1 3 339.359 2.521 20 5 EFBDHM Cc1ccncc1[C@H](C)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001592277754 1094063853 /nfs/dbraw/zinc/06/38/53/1094063853.db2.gz XRYRVKHZFMAEAH-JTQLQIEISA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1ccncc1[C@H](C)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001592277754 1094063860 /nfs/dbraw/zinc/06/38/60/1094063860.db2.gz XRYRVKHZFMAEAH-JTQLQIEISA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1ccsc1CCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001592284241 1094063895 /nfs/dbraw/zinc/06/38/95/1094063895.db2.gz XWXRWLSSNDCGEN-UHFFFAOYSA-N -1 3 330.373 2.799 20 5 EFBDHM Cc1ccsc1CCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001592284241 1094063901 /nfs/dbraw/zinc/06/39/01/1094063901.db2.gz XWXRWLSSNDCGEN-UHFFFAOYSA-N -1 3 330.373 2.799 20 5 EFBDHM Cc1cnc([C@@H](C)CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)s1 ZINC001592292034 1094066054 /nfs/dbraw/zinc/06/60/54/1094066054.db2.gz SKUUTMWGHLYVTM-QMMMGPOBSA-N -1 3 345.388 2.755 20 5 EFBDHM Cc1cnc([C@@H](C)CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)s1 ZINC001592292034 1094066059 /nfs/dbraw/zinc/06/60/59/1094066059.db2.gz SKUUTMWGHLYVTM-QMMMGPOBSA-N -1 3 345.388 2.755 20 5 EFBDHM Cc1nn(Cc2ccc(-c3nnn[n-]3)s2)c2ccc([N+](=O)[O-])cc12 ZINC001592438016 1094104736 /nfs/dbraw/zinc/10/47/36/1094104736.db2.gz PUONFXIOXXZKHP-UHFFFAOYSA-N -1 3 341.356 2.543 20 5 EFBDHM Cc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(-c2nnn[n-]2)c1C ZINC001592521123 1094118808 /nfs/dbraw/zinc/11/88/08/1094118808.db2.gz PLKCGVOVKSMUFQ-UHFFFAOYSA-N -1 3 344.356 2.706 20 5 EFBDHM Cc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(-c2nn[n-]n2)c1C ZINC001592521123 1094118810 /nfs/dbraw/zinc/11/88/10/1094118810.db2.gz PLKCGVOVKSMUFQ-UHFFFAOYSA-N -1 3 344.356 2.706 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(Nc2ccc3c(c2)CCC3)c1-c1nnn[n-]1 ZINC001592758724 1094185234 /nfs/dbraw/zinc/18/52/34/1094185234.db2.gz JUKRBMMHEKJZER-UHFFFAOYSA-N -1 3 337.343 2.589 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(Nc2ccc3c(c2)CCC3)c1-c1nn[n-]n1 ZINC001592758724 1094185235 /nfs/dbraw/zinc/18/52/35/1094185235.db2.gz JUKRBMMHEKJZER-UHFFFAOYSA-N -1 3 337.343 2.589 20 5 EFBDHM O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001593237183 1094249142 /nfs/dbraw/zinc/24/91/42/1094249142.db2.gz CEQMFBDFCXMDRR-UHFFFAOYSA-N -1 3 344.718 2.681 20 5 EFBDHM O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001593237183 1094249149 /nfs/dbraw/zinc/24/91/49/1094249149.db2.gz CEQMFBDFCXMDRR-UHFFFAOYSA-N -1 3 344.718 2.681 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NCC[C@@H]1CCCS1 ZINC001593468778 1094310821 /nfs/dbraw/zinc/31/08/21/1094310821.db2.gz QJBRXKZFJLHUQC-QMMMGPOBSA-N -1 3 338.368 2.612 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NCC[C@@H]1CCCS1 ZINC001593468778 1094310832 /nfs/dbraw/zinc/31/08/32/1094310832.db2.gz QJBRXKZFJLHUQC-QMMMGPOBSA-N -1 3 338.368 2.612 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@@H]2CCCC[C@@H]21 ZINC001593468633 1094311222 /nfs/dbraw/zinc/31/12/22/1094311222.db2.gz QAFKKORYENBSMZ-AAEUAGOBSA-N -1 3 328.376 2.934 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@@H]2CCCC[C@@H]21 ZINC001593468633 1094311232 /nfs/dbraw/zinc/31/12/32/1094311232.db2.gz QAFKKORYENBSMZ-AAEUAGOBSA-N -1 3 328.376 2.934 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NC1CC(Cl)(Cl)C1 ZINC001593469232 1094311859 /nfs/dbraw/zinc/31/18/59/1094311859.db2.gz UXARFHMHMCZMCP-UHFFFAOYSA-N -1 3 347.137 2.662 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NC1CC(Cl)(Cl)C1 ZINC001593469232 1094311866 /nfs/dbraw/zinc/31/18/66/1094311866.db2.gz UXARFHMHMCZMCP-UHFFFAOYSA-N -1 3 347.137 2.662 20 5 EFBDHM O=[N+]([O-])c1c(Oc2cccc(-n3ccnc3)c2)cccc1-c1nnn[n-]1 ZINC001593469114 1094312931 /nfs/dbraw/zinc/31/29/31/1094312931.db2.gz NYXWUURJQUNFAN-UHFFFAOYSA-N -1 3 349.310 2.753 20 5 EFBDHM O=[N+]([O-])c1cc(N2CC3CC2(c2ccccc2)C3)ccc1-c1nnn[n-]1 ZINC001593470705 1094313977 /nfs/dbraw/zinc/31/39/77/1094313977.db2.gz HYANPCBETLMZGZ-UHFFFAOYSA-N -1 3 348.366 2.900 20 5 EFBDHM O=[N+]([O-])c1cc(N2CCC[C@@H]2c2ccncc2)ccc1-c1nnn[n-]1 ZINC001593470669 1094314274 /nfs/dbraw/zinc/31/42/74/1094314274.db2.gz HDDYJOCMNDEMOM-CQSZACIVSA-N -1 3 337.343 2.511 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Nc1cnn(C2CCCC2)c1 ZINC001593469809 1094314563 /nfs/dbraw/zinc/31/45/63/1094314563.db2.gz HWFMHRGKLCJHJN-UHFFFAOYSA-N -1 3 340.347 2.830 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Nc1cnn(C2CCCC2)c1 ZINC001593469809 1094314573 /nfs/dbraw/zinc/31/45/73/1094314573.db2.gz HWFMHRGKLCJHJN-UHFFFAOYSA-N -1 3 340.347 2.830 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NCc1c(F)cccc1Cl ZINC001593471029 1094314813 /nfs/dbraw/zinc/31/48/13/1094314813.db2.gz MBGMXZQVEYZASB-UHFFFAOYSA-N -1 3 349.713 2.575 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NCc1c(F)cccc1Cl ZINC001593471029 1094314828 /nfs/dbraw/zinc/31/48/28/1094314828.db2.gz MBGMXZQVEYZASB-UHFFFAOYSA-N -1 3 349.713 2.575 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC1(Cc2ccccc2)CC1 ZINC001593471354 1094315016 /nfs/dbraw/zinc/31/50/16/1094315016.db2.gz UGJMQGQAYHBFCS-UHFFFAOYSA-N -1 3 336.355 2.962 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC1(Cc2ccccc2)CC1 ZINC001593471354 1094315025 /nfs/dbraw/zinc/31/50/25/1094315025.db2.gz UGJMQGQAYHBFCS-UHFFFAOYSA-N -1 3 336.355 2.962 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC001593471475 1094316138 /nfs/dbraw/zinc/31/61/38/1094316138.db2.gz ROODEDFYZHVEEV-JBLDHEPKSA-N -1 3 329.364 2.551 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC001593471475 1094316147 /nfs/dbraw/zinc/31/61/47/1094316147.db2.gz ROODEDFYZHVEEV-JBLDHEPKSA-N -1 3 329.364 2.551 20 5 EFBDHM O=[N+]([O-])c1c(Sc2ccc(-c3nnn[n-]3)cc2)nc2sccn21 ZINC001593469446 1094316319 /nfs/dbraw/zinc/31/63/19/1094316319.db2.gz QUOCSPQTGCIZHT-UHFFFAOYSA-N -1 3 345.369 2.635 20 5 EFBDHM O=[N+]([O-])c1c(Sc2ccc(-c3nn[n-]n3)cc2)nc2sccn21 ZINC001593469446 1094316329 /nfs/dbraw/zinc/31/63/29/1094316329.db2.gz QUOCSPQTGCIZHT-UHFFFAOYSA-N -1 3 345.369 2.635 20 5 EFBDHM O=[N+]([O-])c1cc(NC[C@H]2CCCC3(CCC3)O2)ccc1-c1nnn[n-]1 ZINC001593473551 1094317063 /nfs/dbraw/zinc/31/70/63/1094317063.db2.gz HSMGJTKKLWLJBY-GFCCVEGCSA-N -1 3 344.375 2.679 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCC[C@H]1CCC2(CCC2)O1 ZINC001593474775 1094317161 /nfs/dbraw/zinc/31/71/61/1094317161.db2.gz KLDLISYLOMCVPM-GFCCVEGCSA-N -1 3 344.375 2.679 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCC[C@H]1CCC2(CCC2)O1 ZINC001593474775 1094317178 /nfs/dbraw/zinc/31/71/78/1094317178.db2.gz KLDLISYLOMCVPM-GFCCVEGCSA-N -1 3 344.375 2.679 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCC1C[C@H]2CC[C@@H](C1)S2 ZINC001593474413 1094317596 /nfs/dbraw/zinc/31/75/96/1094317596.db2.gz IDVCIAZOWVSBMS-CLYYMRHHSA-N -1 3 346.416 2.861 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCC1C[C@H]2CC[C@@H](C1)S2 ZINC001593474413 1094317604 /nfs/dbraw/zinc/31/76/04/1094317604.db2.gz IDVCIAZOWVSBMS-CLYYMRHHSA-N -1 3 346.416 2.861 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1Nc1cnn(C2CCCC2)c1 ZINC001593474294 1094317703 /nfs/dbraw/zinc/31/77/03/1094317703.db2.gz BIFBPXBNZLRKQL-UHFFFAOYSA-N -1 3 340.347 2.830 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1Nc1cnn(C2CCCC2)c1 ZINC001593474294 1094317712 /nfs/dbraw/zinc/31/77/12/1094317712.db2.gz BIFBPXBNZLRKQL-UHFFFAOYSA-N -1 3 340.347 2.830 20 5 EFBDHM O=[N+]([O-])c1cc(N[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)ccc1-c1nnn[n-]1 ZINC001593473478 1094318301 /nfs/dbraw/zinc/31/83/01/1094318301.db2.gz DSXFHGQAQULCOA-ONOSFVFSSA-N -1 3 336.302 2.621 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N[C@@H]1CCc2c1cccc2O ZINC001593474102 1094318959 /nfs/dbraw/zinc/31/89/59/1094318959.db2.gz FAQJERSHQKQEAD-GFCCVEGCSA-N -1 3 338.327 2.580 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N[C@@H]1CCc2c1cccc2O ZINC001593474102 1094318969 /nfs/dbraw/zinc/31/89/69/1094318969.db2.gz FAQJERSHQKQEAD-GFCCVEGCSA-N -1 3 338.327 2.580 20 5 EFBDHM O=[N+]([O-])c1ccc(COc2cc(F)cc(-c3nnn[n-]3)c2)c(F)c1 ZINC001593475538 1094319758 /nfs/dbraw/zinc/31/97/58/1094319758.db2.gz MSNGHUSYOZENFM-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1ccc(COc2cc(F)cc(-c3nn[n-]n3)c2)c(F)c1 ZINC001593475538 1094319763 /nfs/dbraw/zinc/31/97/63/1094319763.db2.gz MSNGHUSYOZENFM-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1ccc(N(CCC2CC2)CC2CC2)c(-c2nnn[n-]2)c1 ZINC001593475676 1094319800 /nfs/dbraw/zinc/31/98/00/1094319800.db2.gz CJUJXXPCBYMIFD-UHFFFAOYSA-N -1 3 328.376 2.791 20 5 EFBDHM O=[N+]([O-])c1ccc(N(CCC2CC2)CC2CC2)c(-c2nn[n-]n2)c1 ZINC001593475676 1094319808 /nfs/dbraw/zinc/31/98/08/1094319808.db2.gz CJUJXXPCBYMIFD-UHFFFAOYSA-N -1 3 328.376 2.791 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CC[C@H](c2ccccc2)C1 ZINC001593476618 1094320942 /nfs/dbraw/zinc/32/09/42/1094320942.db2.gz ZHZKWPAXPMGLJM-AWEZNQCLSA-N -1 3 336.355 2.769 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CC[C@H](c2ccccc2)C1 ZINC001593476618 1094320952 /nfs/dbraw/zinc/32/09/52/1094320952.db2.gz ZHZKWPAXPMGLJM-AWEZNQCLSA-N -1 3 336.355 2.769 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NC[C@@H]1CCC2(CCC2)CO1 ZINC001593474869 1094321192 /nfs/dbraw/zinc/32/11/92/1094321192.db2.gz LRGFGTDCYOIFMP-LBPRGKRZSA-N -1 3 344.375 2.536 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NC[C@@H]1CCC2(CCC2)CO1 ZINC001593474869 1094321197 /nfs/dbraw/zinc/32/11/97/1094321197.db2.gz LRGFGTDCYOIFMP-LBPRGKRZSA-N -1 3 344.375 2.536 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N[C@H]1CCCc2cccnc21 ZINC001593475288 1094321237 /nfs/dbraw/zinc/32/12/37/1094321237.db2.gz OQGCGQUCMPUHAK-LBPRGKRZSA-N -1 3 337.343 2.659 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N[C@H]1CCCc2cccnc21 ZINC001593475288 1094321244 /nfs/dbraw/zinc/32/12/44/1094321244.db2.gz OQGCGQUCMPUHAK-LBPRGKRZSA-N -1 3 337.343 2.659 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N[C@H]1CCc2ccccc2C1 ZINC001593475570 1094321715 /nfs/dbraw/zinc/32/17/15/1094321715.db2.gz QUIRZTVDOQVUBG-AWEZNQCLSA-N -1 3 336.355 2.744 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N[C@H]1CCc2ccccc2C1 ZINC001593475570 1094321724 /nfs/dbraw/zinc/32/17/24/1094321724.db2.gz QUIRZTVDOQVUBG-AWEZNQCLSA-N -1 3 336.355 2.744 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@H]2C[C@]2(F)c2ccccc2)c(-c2nnn[n-]2)c1 ZINC001593478995 1094322355 /nfs/dbraw/zinc/32/23/55/1094322355.db2.gz OUSFQOLMEWXXSI-HOCLYGCPSA-N -1 3 340.318 2.824 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@H]2C[C@]2(F)c2ccccc2)c(-c2nn[n-]n2)c1 ZINC001593478995 1094322364 /nfs/dbraw/zinc/32/23/64/1094322364.db2.gz OUSFQOLMEWXXSI-HOCLYGCPSA-N -1 3 340.318 2.824 20 5 EFBDHM O=[N+]([O-])c1ccc(NC[C@H]2CCCC3(CCC3)O2)c(-c2nnn[n-]2)c1 ZINC001593478227 1094324101 /nfs/dbraw/zinc/32/41/01/1094324101.db2.gz RNDPLDQHFBGLJF-GFCCVEGCSA-N -1 3 344.375 2.679 20 5 EFBDHM O=[N+]([O-])c1ccc(NC[C@H]2CCCC3(CCC3)O2)c(-c2nn[n-]n2)c1 ZINC001593478227 1094324110 /nfs/dbraw/zinc/32/41/10/1094324110.db2.gz RNDPLDQHFBGLJF-GFCCVEGCSA-N -1 3 344.375 2.679 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCCOC1CCCCC1 ZINC001593482504 1094325734 /nfs/dbraw/zinc/32/57/34/1094325734.db2.gz CSTXBVHHLYRFEO-UHFFFAOYSA-N -1 3 332.364 2.536 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCCOC1CCCCC1 ZINC001593482504 1094325742 /nfs/dbraw/zinc/32/57/42/1094325742.db2.gz CSTXBVHHLYRFEO-UHFFFAOYSA-N -1 3 332.364 2.536 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1Oc1ccc2nccnc2c1 ZINC001593482995 1094326719 /nfs/dbraw/zinc/32/67/19/1094326719.db2.gz JOTXENFRCCVCRY-UHFFFAOYSA-N -1 3 335.283 2.510 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1Oc1ccc2nccnc2c1 ZINC001593482995 1094326726 /nfs/dbraw/zinc/32/67/26/1094326726.db2.gz JOTXENFRCCVCRY-UHFFFAOYSA-N -1 3 335.283 2.510 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CCC[C@@H]1c1ccccn1 ZINC001593480648 1094326889 /nfs/dbraw/zinc/32/68/89/1094326889.db2.gz KLVKTVHXNWDONY-CYBMUJFWSA-N -1 3 337.343 2.511 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CCC[C@@H]1c1ccccn1 ZINC001593480648 1094326906 /nfs/dbraw/zinc/32/69/06/1094326906.db2.gz KLVKTVHXNWDONY-CYBMUJFWSA-N -1 3 337.343 2.511 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCCC[C@H]1CCCCO1 ZINC001593480701 1094327150 /nfs/dbraw/zinc/32/71/50/1094327150.db2.gz MJCYHQGCPOMGBU-LLVKDONJSA-N -1 3 332.364 2.536 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCCC[C@H]1CCCCO1 ZINC001593480701 1094327157 /nfs/dbraw/zinc/32/71/57/1094327157.db2.gz MJCYHQGCPOMGBU-LLVKDONJSA-N -1 3 332.364 2.536 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CN1CC2(CC2)c2ccccc21 ZINC001593482682 1094327173 /nfs/dbraw/zinc/32/71/73/1094327173.db2.gz PFWYOZCBZOTWBA-UHFFFAOYSA-N -1 3 348.366 2.827 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1CN1CC2(CC2)c2ccccc21 ZINC001593482682 1094327182 /nfs/dbraw/zinc/32/71/82/1094327182.db2.gz PFWYOZCBZOTWBA-UHFFFAOYSA-N -1 3 348.366 2.827 20 5 EFBDHM O=[N+]([O-])c1cccc(NCc2cn3ccccc3c2-c2nnn[n-]2)c1 ZINC001593483688 1094327611 /nfs/dbraw/zinc/32/76/11/1094327611.db2.gz CHJFNUUGPCJXLP-UHFFFAOYSA-N -1 3 335.327 2.640 20 5 EFBDHM O=[N+]([O-])c1cccc(NCc2cn3ccccc3c2-c2nn[n-]n2)c1 ZINC001593483688 1094327621 /nfs/dbraw/zinc/32/76/21/1094327621.db2.gz CHJFNUUGPCJXLP-UHFFFAOYSA-N -1 3 335.327 2.640 20 5 EFBDHM O=[N+]([O-])c1cnc(NC[C@H]2CCC=CCCC2)c(-c2nnn[n-]2)c1 ZINC001593485026 1094328712 /nfs/dbraw/zinc/32/87/12/1094328712.db2.gz NYDKRFVMGCKZBK-NSHDSACASA-N -1 3 329.364 2.718 20 5 EFBDHM O=[N+]([O-])c1cnc(NC[C@H]2CCC=CCCC2)c(-c2nn[n-]n2)c1 ZINC001593485026 1094328720 /nfs/dbraw/zinc/32/87/20/1094328720.db2.gz NYDKRFVMGCKZBK-NSHDSACASA-N -1 3 329.364 2.718 20 5 EFBDHM O=C([O-])C[C@@]1(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCOC1 ZINC001601936845 1095983089 /nfs/dbraw/zinc/98/30/89/1095983089.db2.gz UBGVVGWNBMEHSL-KRWDZBQOSA-N -1 3 346.339 2.578 20 5 EFBDHM O=C([O-])COc1ccc(CN2C[C@H](C3CC3)[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC001602083798 1096052995 /nfs/dbraw/zinc/05/29/95/1096052995.db2.gz TUONOAMKABXZPR-RDTXWAMCSA-N -1 3 346.383 2.679 20 5 EFBDHM O=C([O-])COc1ccc(CN2CCC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC001602083514 1096053739 /nfs/dbraw/zinc/05/37/39/1096053739.db2.gz PUHPZWMVDXVKLB-UHFFFAOYSA-N -1 3 334.372 2.824 20 5 EFBDHM O=C([O-])[C@@H]1CCCCC[C@@H]1NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001602172468 1096101617 /nfs/dbraw/zinc/10/16/17/1096101617.db2.gz QMZDCQMUCYIPKS-NEPJUHHUSA-N -1 3 333.344 2.859 20 5 EFBDHM O=C([O-])c1c(Cl)c(N[C@@H]2CCN(CC3CC3)C2)ccc1[N+](=O)[O-] ZINC001602232726 1096129010 /nfs/dbraw/zinc/12/90/10/1096129010.db2.gz KWGXKUPECPGBAL-SNVBAGLBSA-N -1 3 339.779 2.843 20 5 EFBDHM O=C([O-])c1c(Cl)c(N[C@H]2CCN(CC3CC3)C2)ccc1[N+](=O)[O-] ZINC001602232725 1096129739 /nfs/dbraw/zinc/12/97/39/1096129739.db2.gz KWGXKUPECPGBAL-JTQLQIEISA-N -1 3 339.779 2.843 20 5 EFBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC3(CCOCC3)CC2)c1 ZINC001602404693 1096224388 /nfs/dbraw/zinc/22/43/88/1096224388.db2.gz AHIGSRSOGCAPBM-UHFFFAOYSA-N -1 3 334.372 2.686 20 5 EFBDHM CC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])c1 ZINC001602978009 1096413602 /nfs/dbraw/zinc/41/36/02/1096413602.db2.gz WYFCFAASEWKJTG-UHFFFAOYSA-N -1 3 325.284 2.770 20 5 EFBDHM CC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC001602978009 1096413606 /nfs/dbraw/zinc/41/36/06/1096413606.db2.gz WYFCFAASEWKJTG-UHFFFAOYSA-N -1 3 325.284 2.770 20 5 EFBDHM CC(C)(C)[C@@H]1C[C@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CCO1 ZINC001603062386 1096428639 /nfs/dbraw/zinc/42/86/39/1096428639.db2.gz IKYUCGQLTFIGCW-RISCZKNCSA-N -1 3 346.391 2.781 20 5 EFBDHM CC(C)(C)[C@@H]1C[C@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CCO1 ZINC001603062386 1096428641 /nfs/dbraw/zinc/42/86/41/1096428641.db2.gz IKYUCGQLTFIGCW-RISCZKNCSA-N -1 3 346.391 2.781 20 5 EFBDHM CC(C)(C)OCCCNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603102097 1096442390 /nfs/dbraw/zinc/44/23/90/1096442390.db2.gz DFHCNOGCZYHFMA-UHFFFAOYSA-N -1 3 338.343 2.531 20 5 EFBDHM CC(C)(C)OCCCNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603102097 1096442393 /nfs/dbraw/zinc/44/23/93/1096442393.db2.gz DFHCNOGCZYHFMA-UHFFFAOYSA-N -1 3 338.343 2.531 20 5 EFBDHM CC(C)[C@@H]1C[C@@H](CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CCO1 ZINC001603241837 1096483082 /nfs/dbraw/zinc/48/30/82/1096483082.db2.gz ZPSTYGIFZLJUEM-NHYWBVRUSA-N -1 3 346.391 2.638 20 5 EFBDHM CC(C)[C@@H]1C[C@@H](CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CCO1 ZINC001603241837 1096483086 /nfs/dbraw/zinc/48/30/86/1096483086.db2.gz ZPSTYGIFZLJUEM-NHYWBVRUSA-N -1 3 346.391 2.638 20 5 EFBDHM CC(C)[C@@H]1OCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001603253905 1096487168 /nfs/dbraw/zinc/48/71/68/1096487168.db2.gz RJGLYJDFFAMRKB-ABAIWWIYSA-N -1 3 346.391 2.638 20 5 EFBDHM CC1(C)CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC(C)(C)C1 ZINC001603778209 1096624746 /nfs/dbraw/zinc/62/47/46/1096624746.db2.gz FJZUKXXWQKJWMI-UHFFFAOYSA-N -1 3 345.407 2.823 20 5 EFBDHM CC1(C)CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC(C)(C)C1 ZINC001603778209 1096624750 /nfs/dbraw/zinc/62/47/50/1096624750.db2.gz FJZUKXXWQKJWMI-UHFFFAOYSA-N -1 3 345.407 2.823 20 5 EFBDHM C[C@@]1(CCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@]1(F)Cl ZINC001603799855 1096629981 /nfs/dbraw/zinc/62/99/81/1096629981.db2.gz DEOVZDJRWMVZKX-OLZOCXBDSA-N -1 3 340.746 2.892 20 5 EFBDHM C[C@@]1(CCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@@]1(F)Cl ZINC001603799855 1096629985 /nfs/dbraw/zinc/62/99/85/1096629985.db2.gz DEOVZDJRWMVZKX-OLZOCXBDSA-N -1 3 340.746 2.892 20 5 EFBDHM C[C@]1(CCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@@]1(F)Cl ZINC001603799883 1096631651 /nfs/dbraw/zinc/63/16/51/1096631651.db2.gz DPTLWKRDWRCWGX-STQMWFEESA-N -1 3 340.746 2.892 20 5 EFBDHM C[C@]1(CCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@@]1(F)Cl ZINC001603799883 1096631654 /nfs/dbraw/zinc/63/16/54/1096631654.db2.gz DPTLWKRDWRCWGX-STQMWFEESA-N -1 3 340.746 2.892 20 5 EFBDHM C[C@@]1(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1(Cl)Cl ZINC001603807732 1096634003 /nfs/dbraw/zinc/63/40/03/1096634003.db2.gz SSANONLQNBENLV-NSHDSACASA-N -1 3 343.174 2.771 20 5 EFBDHM C[C@@]1(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1(Cl)Cl ZINC001603807732 1096634006 /nfs/dbraw/zinc/63/40/06/1096634006.db2.gz SSANONLQNBENLV-NSHDSACASA-N -1 3 343.174 2.771 20 5 EFBDHM CC(C)N(CCC(=O)[O-])Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC001603879998 1096654385 /nfs/dbraw/zinc/65/43/85/1096654385.db2.gz XNZVTJOMINWVSA-UHFFFAOYSA-N -1 3 332.360 2.601 20 5 EFBDHM C[C@H]1CCC[C@@H]1CC(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603891266 1096661514 /nfs/dbraw/zinc/66/15/14/1096661514.db2.gz UXBCBSAOMVNWJK-WDEREUQCSA-N -1 3 345.359 2.644 20 5 EFBDHM C[C@H]1CCC[C@@H]1CC(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603891266 1096661519 /nfs/dbraw/zinc/66/15/19/1096661519.db2.gz UXBCBSAOMVNWJK-WDEREUQCSA-N -1 3 345.359 2.644 20 5 EFBDHM C[C@@H]1CCC[C@H]1CC(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603891263 1096662400 /nfs/dbraw/zinc/66/24/00/1096662400.db2.gz UXBCBSAOMVNWJK-MNOVXSKESA-N -1 3 345.359 2.644 20 5 EFBDHM C[C@@H]1CCC[C@H]1CC(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603891263 1096662405 /nfs/dbraw/zinc/66/24/05/1096662405.db2.gz UXBCBSAOMVNWJK-MNOVXSKESA-N -1 3 345.359 2.644 20 5 EFBDHM CC[C@H](C)n1ncc(Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c1C ZINC001604010952 1096696201 /nfs/dbraw/zinc/69/62/01/1096696201.db2.gz JCZSHTIDVKRIIZ-VIFPVBQESA-N -1 3 342.363 2.994 20 5 EFBDHM CC[C@H](C)n1ncc(Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c1C ZINC001604010952 1096696203 /nfs/dbraw/zinc/69/62/03/1096696203.db2.gz JCZSHTIDVKRIIZ-VIFPVBQESA-N -1 3 342.363 2.994 20 5 EFBDHM CCC(CC)CC(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001604025331 1096703272 /nfs/dbraw/zinc/70/32/72/1096703272.db2.gz QRGHWQPIXISFMK-UHFFFAOYSA-N -1 3 333.348 2.644 20 5 EFBDHM CCC(CC)CC(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001604025331 1096703277 /nfs/dbraw/zinc/70/32/77/1096703277.db2.gz QRGHWQPIXISFMK-UHFFFAOYSA-N -1 3 333.348 2.644 20 5 EFBDHM C[C@@H](CN(Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)C1CC1)C(=O)[O-] ZINC001604165725 1096758778 /nfs/dbraw/zinc/75/87/78/1096758778.db2.gz MIUUMLUEFFFWFR-LBPRGKRZSA-N -1 3 344.371 2.601 20 5 EFBDHM CCCOc1cccc(Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001604233104 1096781554 /nfs/dbraw/zinc/78/15/54/1096781554.db2.gz RRSNBPFQIVJNPZ-UHFFFAOYSA-N -1 3 341.331 2.702 20 5 EFBDHM CCCOc1cccc(Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001604233104 1096781563 /nfs/dbraw/zinc/78/15/63/1096781563.db2.gz RRSNBPFQIVJNPZ-UHFFFAOYSA-N -1 3 341.331 2.702 20 5 EFBDHM CCN(Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@H](C)C(F)(F)F ZINC001604322029 1096808213 /nfs/dbraw/zinc/80/82/13/1096808213.db2.gz TUDSTGQAIFCLJO-MRVPVSSYSA-N -1 3 344.297 2.548 20 5 EFBDHM CCN(Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@H](C)C(F)(F)F ZINC001604322029 1096808228 /nfs/dbraw/zinc/80/82/28/1096808228.db2.gz TUDSTGQAIFCLJO-MRVPVSSYSA-N -1 3 344.297 2.548 20 5 EFBDHM CCN(Cc1occc1C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604327917 1096814236 /nfs/dbraw/zinc/81/42/36/1096814236.db2.gz RVTLFFNQJLZUSP-UHFFFAOYSA-N -1 3 328.332 2.703 20 5 EFBDHM CCN(Cc1occc1C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604327917 1096814245 /nfs/dbraw/zinc/81/42/45/1096814245.db2.gz RVTLFFNQJLZUSP-UHFFFAOYSA-N -1 3 328.332 2.703 20 5 EFBDHM CCc1csc(Sc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])n1 ZINC001604538582 1096898563 /nfs/dbraw/zinc/89/85/63/1096898563.db2.gz KGJRNLBHNSRPLM-UHFFFAOYSA-N -1 3 334.386 2.945 20 5 EFBDHM CCc1csc(Sc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])n1 ZINC001604538582 1096898569 /nfs/dbraw/zinc/89/85/69/1096898569.db2.gz KGJRNLBHNSRPLM-UHFFFAOYSA-N -1 3 334.386 2.945 20 5 EFBDHM C[C@@H]1C[C@@H](Nc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CN1C1CC1 ZINC001604677424 1096930033 /nfs/dbraw/zinc/93/00/33/1096930033.db2.gz ROXDQICIXAUIHR-RKDXNWHRSA-N -1 3 339.779 2.984 20 5 EFBDHM CN(CC1CCCCC1)c1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604729268 1096942614 /nfs/dbraw/zinc/94/26/14/1096942614.db2.gz QOCNHRQLISEWCC-UHFFFAOYSA-N -1 3 334.355 2.931 20 5 EFBDHM CN(CC1CCCCC1)c1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604729268 1096942616 /nfs/dbraw/zinc/94/26/16/1096942616.db2.gz QOCNHRQLISEWCC-UHFFFAOYSA-N -1 3 334.355 2.931 20 5 EFBDHM CN(Cc1ccc(F)c(F)c1)c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001604809856 1096962912 /nfs/dbraw/zinc/96/29/12/1096962912.db2.gz YTZMMNKIVVVUJG-UHFFFAOYSA-N -1 3 346.297 2.690 20 5 EFBDHM CN(Cc1ccc(F)c(F)c1)c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001604809856 1096962919 /nfs/dbraw/zinc/96/29/19/1096962919.db2.gz YTZMMNKIVVVUJG-UHFFFAOYSA-N -1 3 346.297 2.690 20 5 EFBDHM COc1cc(CNc2ccc([N+](=O)[O-])cc2F)ccc1-c1nnn[n-]1 ZINC001605220013 1097057948 /nfs/dbraw/zinc/05/79/48/1097057948.db2.gz LXDHBICNUIUAJI-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM COc1cc(CNc2ccc([N+](=O)[O-])cc2F)ccc1-c1nn[n-]n1 ZINC001605220013 1097057952 /nfs/dbraw/zinc/05/79/52/1097057952.db2.gz LXDHBICNUIUAJI-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM COc1cc(CNc2ccc(C)cc2[N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001605220378 1097058056 /nfs/dbraw/zinc/05/80/56/1097058056.db2.gz VEYLEBACCSCMFM-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM COc1cc(CNc2ccc(C)cc2[N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001605220378 1097058061 /nfs/dbraw/zinc/05/80/61/1097058061.db2.gz VEYLEBACCSCMFM-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM COc1cc(OCc2ccc(-c3nnn[n-]3)cc2C)ccc1[N+](=O)[O-] ZINC001605237209 1097063924 /nfs/dbraw/zinc/06/39/24/1097063924.db2.gz XONRKHJKSWCVGC-UHFFFAOYSA-N -1 3 341.327 2.671 20 5 EFBDHM COc1cc(OCc2ccc(-c3nn[n-]n3)cc2C)ccc1[N+](=O)[O-] ZINC001605237209 1097063931 /nfs/dbraw/zinc/06/39/31/1097063931.db2.gz XONRKHJKSWCVGC-UHFFFAOYSA-N -1 3 341.327 2.671 20 5 EFBDHM Cc1c(-c2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cccc1[N+](=O)[O-] ZINC001605463004 1097130738 /nfs/dbraw/zinc/13/07/38/1097130738.db2.gz NDZDBTGKCYNCOV-UHFFFAOYSA-N -1 3 349.310 2.800 20 5 EFBDHM Cc1c(-c2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cccc1[N+](=O)[O-] ZINC001605463004 1097130742 /nfs/dbraw/zinc/13/07/42/1097130742.db2.gz NDZDBTGKCYNCOV-UHFFFAOYSA-N -1 3 349.310 2.800 20 5 EFBDHM Cc1cc(C(=O)Oc2ccc(-c3nnn[n-]3)c(C)c2)cc([N+](=O)[O-])c1 ZINC001605631323 1097174112 /nfs/dbraw/zinc/17/41/12/1097174112.db2.gz WPNIIXPTEHSXQF-UHFFFAOYSA-N -1 3 339.311 2.611 20 5 EFBDHM Cc1cc(C(=O)Oc2ccc(-c3nn[n-]n3)c(C)c2)cc([N+](=O)[O-])c1 ZINC001605631323 1097174114 /nfs/dbraw/zinc/17/41/14/1097174114.db2.gz WPNIIXPTEHSXQF-UHFFFAOYSA-N -1 3 339.311 2.611 20 5 EFBDHM Cc1cc(N(C)CCc2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC001605688309 1097195501 /nfs/dbraw/zinc/19/55/01/1097195501.db2.gz NNDLVABCAPDVMB-UHFFFAOYSA-N -1 3 338.371 2.762 20 5 EFBDHM Cc1cc(N(C)CCc2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC001605688309 1097195506 /nfs/dbraw/zinc/19/55/06/1097195506.db2.gz NNDLVABCAPDVMB-UHFFFAOYSA-N -1 3 338.371 2.762 20 5 EFBDHM Cc1cc(NC[C@H](C)c2ccccn2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605727204 1097209105 /nfs/dbraw/zinc/20/91/05/1097209105.db2.gz UQRZDRHRTWTHDZ-NSHDSACASA-N -1 3 339.359 2.694 20 5 EFBDHM Cc1cc(NC[C@H](C)c2ccccn2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605727204 1097209109 /nfs/dbraw/zinc/20/91/09/1097209109.db2.gz UQRZDRHRTWTHDZ-NSHDSACASA-N -1 3 339.359 2.694 20 5 EFBDHM Cc1cccc(C(=O)Oc2ccc(-c3nnn[n-]3)c(C)c2)c1[N+](=O)[O-] ZINC001605746266 1097214106 /nfs/dbraw/zinc/21/41/06/1097214106.db2.gz XEXKRFNLEWWILV-UHFFFAOYSA-N -1 3 339.311 2.611 20 5 EFBDHM Cc1cccc(C(=O)Oc2ccc(-c3nn[n-]n3)c(C)c2)c1[N+](=O)[O-] ZINC001605746266 1097214110 /nfs/dbraw/zinc/21/41/10/1097214110.db2.gz XEXKRFNLEWWILV-UHFFFAOYSA-N -1 3 339.311 2.611 20 5 EFBDHM Cc1cc(OCCOc2ccccc2[N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001605747677 1097215141 /nfs/dbraw/zinc/21/51/41/1097215141.db2.gz SNDGESISXUODKM-UHFFFAOYSA-N -1 3 341.327 2.541 20 5 EFBDHM Cc1ccc(COC(=O)c2sccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605858603 1097255911 /nfs/dbraw/zinc/25/59/11/1097255911.db2.gz GIWVSAJCKBVVET-UHFFFAOYSA-N -1 3 345.340 2.502 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(N[C@@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)c1 ZINC001605884420 1097265235 /nfs/dbraw/zinc/26/52/35/1097265235.db2.gz DMFBDUGFNVIURK-CQSZACIVSA-N -1 3 336.355 2.663 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(N[C@@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)c1 ZINC001605884420 1097265237 /nfs/dbraw/zinc/26/52/37/1097265237.db2.gz DMFBDUGFNVIURK-CQSZACIVSA-N -1 3 336.355 2.663 20 5 EFBDHM Cc1ccc2c(c1)CCN(c1ccc(-c3nnn[n-]3)cc1[N+](=O)[O-])C2 ZINC001605888477 1097266358 /nfs/dbraw/zinc/26/63/58/1097266358.db2.gz ICOQHLGBTGYMIE-UHFFFAOYSA-N -1 3 336.355 2.646 20 5 EFBDHM Cc1ccc2c(c1)CCN(c1ccc(-c3nn[n-]n3)cc1[N+](=O)[O-])C2 ZINC001605888477 1097266363 /nfs/dbraw/zinc/26/63/63/1097266363.db2.gz ICOQHLGBTGYMIE-UHFFFAOYSA-N -1 3 336.355 2.646 20 5 EFBDHM Cc1nc(Oc2ccccc2[N+](=O)[O-])c(Cl)cc1-c1nnn[n-]1 ZINC001606078388 1097312369 /nfs/dbraw/zinc/31/23/69/1097312369.db2.gz GRZUFRQIEKSMIC-UHFFFAOYSA-N -1 3 332.707 2.924 20 5 EFBDHM Cc1nc(Oc2ccccc2[N+](=O)[O-])c(Cl)cc1-c1nn[n-]n1 ZINC001606078388 1097312374 /nfs/dbraw/zinc/31/23/74/1097312374.db2.gz GRZUFRQIEKSMIC-UHFFFAOYSA-N -1 3 332.707 2.924 20 5 EFBDHM Cc1nc(Oc2cccc([N+](=O)[O-])c2)c(Cl)cc1-c1nnn[n-]1 ZINC001606078664 1097314509 /nfs/dbraw/zinc/31/45/09/1097314509.db2.gz QFVBODCKONNNJD-UHFFFAOYSA-N -1 3 332.707 2.924 20 5 EFBDHM Cc1nc(Oc2cccc([N+](=O)[O-])c2)c(Cl)cc1-c1nn[n-]n1 ZINC001606078664 1097314515 /nfs/dbraw/zinc/31/45/15/1097314515.db2.gz QFVBODCKONNNJD-UHFFFAOYSA-N -1 3 332.707 2.924 20 5 EFBDHM O=C(Oc1cccc([N+](=O)[O-])c1)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001606990895 1097491012 /nfs/dbraw/zinc/49/10/12/1097491012.db2.gz YPMNMGDFWWHITB-UHFFFAOYSA-N -1 3 345.702 2.648 20 5 EFBDHM O=C(Oc1cccc([N+](=O)[O-])c1)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001606990895 1097491014 /nfs/dbraw/zinc/49/10/14/1097491014.db2.gz YPMNMGDFWWHITB-UHFFFAOYSA-N -1 3 345.702 2.648 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1SCCC(F)(F)F ZINC001607077112 1097505929 /nfs/dbraw/zinc/50/59/29/1097505929.db2.gz HGVAHUNOZORZIE-UHFFFAOYSA-N -1 3 337.258 2.959 20 5 EFBDHM O=[N+]([O-])c1cc(NCc2ccc(-c3nnn[n-]3)cc2F)ccc1F ZINC001607079747 1097506834 /nfs/dbraw/zinc/50/68/34/1097506834.db2.gz LEDVQDUEPFDDHO-UHFFFAOYSA-N -1 3 332.270 2.665 20 5 EFBDHM O=[N+]([O-])c1cc(NCc2ccc(-c3nn[n-]n3)cc2F)ccc1F ZINC001607079747 1097506840 /nfs/dbraw/zinc/50/68/40/1097506840.db2.gz LEDVQDUEPFDDHO-UHFFFAOYSA-N -1 3 332.270 2.665 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)s1 ZINC001607079423 1097506926 /nfs/dbraw/zinc/50/69/26/1097506926.db2.gz HWDWZNRFPOJPLN-UHFFFAOYSA-N -1 3 341.312 2.553 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)s1 ZINC001607079423 1097506930 /nfs/dbraw/zinc/50/69/30/1097506930.db2.gz HWDWZNRFPOJPLN-UHFFFAOYSA-N -1 3 341.312 2.553 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1Sc1ccc(Cl)cc1 ZINC001607078558 1097507030 /nfs/dbraw/zinc/50/70/30/1097507030.db2.gz GONIGDAAQMFIRV-UHFFFAOYSA-N -1 3 334.748 2.975 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1Sc1ccc(Cl)cc1 ZINC001607078558 1097507034 /nfs/dbraw/zinc/50/70/34/1097507034.db2.gz GONIGDAAQMFIRV-UHFFFAOYSA-N -1 3 334.748 2.975 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1CC(C2CCCCC2)C1 ZINC001607078430 1097507087 /nfs/dbraw/zinc/50/70/87/1097507087.db2.gz ZKSANIAXMNJHJA-UHFFFAOYSA-N -1 3 346.366 2.931 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1CC(C2CCCCC2)C1 ZINC001607078430 1097507091 /nfs/dbraw/zinc/50/70/91/1097507091.db2.gz ZKSANIAXMNJHJA-UHFFFAOYSA-N -1 3 346.366 2.931 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC001607082418 1097508174 /nfs/dbraw/zinc/50/81/74/1097508174.db2.gz PBYLBZDPPSWKOR-QWHCGFSZSA-N -1 3 340.318 2.882 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC001607082418 1097508182 /nfs/dbraw/zinc/50/81/82/1097508182.db2.gz PBYLBZDPPSWKOR-QWHCGFSZSA-N -1 3 340.318 2.882 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCCCc1ccc(O)cc1 ZINC001607083114 1097509308 /nfs/dbraw/zinc/50/93/08/1097509308.db2.gz XIOMMUNFAHVYFC-UHFFFAOYSA-N -1 3 340.343 2.525 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCCCc1ccc(O)cc1 ZINC001607083114 1097509311 /nfs/dbraw/zinc/50/93/11/1097509311.db2.gz XIOMMUNFAHVYFC-UHFFFAOYSA-N -1 3 340.343 2.525 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CN1CC[C@H]1c1ccccc1 ZINC001607083474 1097509918 /nfs/dbraw/zinc/50/99/18/1097509918.db2.gz HUBNRYWJESZBGS-HNNXBMFYSA-N -1 3 336.355 2.722 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1CN1CC[C@H]1c1ccccc1 ZINC001607083474 1097509922 /nfs/dbraw/zinc/50/99/22/1097509922.db2.gz HUBNRYWJESZBGS-HNNXBMFYSA-N -1 3 336.355 2.722 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N[C@H]1CCCc2cccnc21 ZINC001607084681 1097509981 /nfs/dbraw/zinc/50/99/81/1097509981.db2.gz SKNXAWXWKNLWMM-LBPRGKRZSA-N -1 3 337.343 2.659 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N[C@H]1CCCc2cccnc21 ZINC001607084681 1097509985 /nfs/dbraw/zinc/50/99/85/1097509985.db2.gz SKNXAWXWKNLWMM-LBPRGKRZSA-N -1 3 337.343 2.659 20 5 EFBDHM O=[N+]([O-])c1cccc(F)c1NCc1cc(-c2nnn[n-]2)ccc1F ZINC001607084443 1097510383 /nfs/dbraw/zinc/51/03/83/1097510383.db2.gz GHZMRFMFQTXTLO-UHFFFAOYSA-N -1 3 332.270 2.665 20 5 EFBDHM O=[N+]([O-])c1cccc(F)c1NCc1cc(-c2nn[n-]n2)ccc1F ZINC001607084443 1097510388 /nfs/dbraw/zinc/51/03/88/1097510388.db2.gz GHZMRFMFQTXTLO-UHFFFAOYSA-N -1 3 332.270 2.665 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCCc1cccc(F)c1 ZINC001607084556 1097510399 /nfs/dbraw/zinc/51/03/99/1097510399.db2.gz MTZCGIPPZWSXSM-UHFFFAOYSA-N -1 3 328.307 2.569 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCCc1cccc(F)c1 ZINC001607084556 1097510406 /nfs/dbraw/zinc/51/04/06/1097510406.db2.gz MTZCGIPPZWSXSM-UHFFFAOYSA-N -1 3 328.307 2.569 20 5 EFBDHM O=C([O-])CC1(NCc2cccc([N+](=O)[O-])c2Br)CCC1 ZINC001608688755 1097991156 /nfs/dbraw/zinc/99/11/56/1097991156.db2.gz UIDKWAPQPSZMRF-UHFFFAOYSA-N -1 3 343.177 2.844 20 5 EFBDHM O=C([O-])COc1ccc(CN2CC[C@H](c3ccco3)C2)cc1[N+](=O)[O-] ZINC001608758902 1098010937 /nfs/dbraw/zinc/01/09/37/1098010937.db2.gz MAQXHFFSEUVZIF-ZDUSSCGKSA-N -1 3 346.339 2.641 20 5 EFBDHM CC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)cc1 ZINC001609067067 1098128870 /nfs/dbraw/zinc/12/88/70/1098128870.db2.gz MSRVMCNTAIICMJ-UHFFFAOYSA-N -1 3 325.284 2.770 20 5 EFBDHM C[C@H](C1CC1)n1cc(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cn1 ZINC001609108657 1098150618 /nfs/dbraw/zinc/15/06/18/1098150618.db2.gz SYNBJFIGKPGPAC-SECBINFHSA-N -1 3 340.347 2.686 20 5 EFBDHM C[C@H](C1CC1)n1cc(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cn1 ZINC001609108657 1098150622 /nfs/dbraw/zinc/15/06/22/1098150622.db2.gz SYNBJFIGKPGPAC-SECBINFHSA-N -1 3 340.347 2.686 20 5 EFBDHM C[C@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])CC(F)(F)F ZINC001609113877 1098152166 /nfs/dbraw/zinc/15/21/66/1098152166.db2.gz KODXGFHHZNEBRW-ZETCQYMHSA-N -1 3 330.270 2.775 20 5 EFBDHM C[C@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])CC(F)(F)F ZINC001609113877 1098152168 /nfs/dbraw/zinc/15/21/68/1098152168.db2.gz KODXGFHHZNEBRW-ZETCQYMHSA-N -1 3 330.270 2.775 20 5 EFBDHM C[C@H](CCc1ccco1)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609112232 1098152426 /nfs/dbraw/zinc/15/24/26/1098152426.db2.gz YKLSFJNJWAMBAQ-SNVBAGLBSA-N -1 3 328.332 2.801 20 5 EFBDHM CC1(CC(F)(F)F)CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001609148652 1098169471 /nfs/dbraw/zinc/16/94/71/1098169471.db2.gz GNVLRQWPTSUMCH-UHFFFAOYSA-N -1 3 342.281 2.554 20 5 EFBDHM C[C@@H]1c2ccsc2CCN1c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609180230 1098184528 /nfs/dbraw/zinc/18/45/28/1098184528.db2.gz IGPBLIGHOSPJAT-SECBINFHSA-N -1 3 342.384 2.960 20 5 EFBDHM CCOC1(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCCC1 ZINC001609237862 1098216687 /nfs/dbraw/zinc/21/66/87/1098216687.db2.gz YVRSBWKQTGZHJJ-UHFFFAOYSA-N -1 3 332.364 2.536 20 5 EFBDHM CCOC1(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCCC1 ZINC001609237862 1098216691 /nfs/dbraw/zinc/21/66/91/1098216691.db2.gz YVRSBWKQTGZHJJ-UHFFFAOYSA-N -1 3 332.364 2.536 20 5 EFBDHM CCOc1cc(OCc2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC001609242860 1098217484 /nfs/dbraw/zinc/21/74/84/1098217484.db2.gz MFERPEJZJKNMEN-UHFFFAOYSA-N -1 3 341.327 2.753 20 5 EFBDHM CCOc1cc(OCc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC001609242860 1098217489 /nfs/dbraw/zinc/21/74/89/1098217489.db2.gz MFERPEJZJKNMEN-UHFFFAOYSA-N -1 3 341.327 2.753 20 5 EFBDHM CCOc1ccc([N+](=O)[O-])cc1NCc1cccc(-c2nnn[n-]2)c1 ZINC001609245621 1098219629 /nfs/dbraw/zinc/21/96/29/1098219629.db2.gz CAVVILBLMAEHBT-UHFFFAOYSA-N -1 3 340.343 2.786 20 5 EFBDHM CCOc1ccc([N+](=O)[O-])cc1NCc1cccc(-c2nn[n-]n2)c1 ZINC001609245621 1098219633 /nfs/dbraw/zinc/21/96/33/1098219633.db2.gz CAVVILBLMAEHBT-UHFFFAOYSA-N -1 3 340.343 2.786 20 5 EFBDHM CN(Cc1cc(-c2nnn[n-]2)ccc1F)Cc1ccccc1[N+](=O)[O-] ZINC001609277637 1098235755 /nfs/dbraw/zinc/23/57/55/1098235755.db2.gz QZTPDDOUMWMIJQ-UHFFFAOYSA-N -1 3 342.334 2.546 20 5 EFBDHM CN(Cc1cc(-c2nn[n-]n2)ccc1F)Cc1ccccc1[N+](=O)[O-] ZINC001609277637 1098235760 /nfs/dbraw/zinc/23/57/60/1098235760.db2.gz QZTPDDOUMWMIJQ-UHFFFAOYSA-N -1 3 342.334 2.546 20 5 EFBDHM COC1(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CCCCC1 ZINC001609312251 1098244768 /nfs/dbraw/zinc/24/47/68/1098244768.db2.gz YQFGBRXYFHYIBX-UHFFFAOYSA-N -1 3 332.364 2.536 20 5 EFBDHM COc1ccc(-c2nnn[n-]2)cc1NCc1ccc([N+](=O)[O-])cc1C ZINC001609351177 1098259516 /nfs/dbraw/zinc/25/95/16/1098259516.db2.gz FNIXVIBOFXARFQ-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM COc1ccc(-c2nn[n-]n2)cc1NCc1ccc([N+](=O)[O-])cc1C ZINC001609351177 1098259522 /nfs/dbraw/zinc/25/95/22/1098259522.db2.gz FNIXVIBOFXARFQ-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM Cc1cc(NC[C@H](C)CC(F)F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609409540 1098297307 /nfs/dbraw/zinc/29/73/07/1098297307.db2.gz NHXZPULPVXBUGQ-SSDOTTSWSA-N -1 3 326.307 2.787 20 5 EFBDHM Cc1cc(NC[C@H](C)CC(F)F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609409540 1098297312 /nfs/dbraw/zinc/29/73/12/1098297312.db2.gz NHXZPULPVXBUGQ-SSDOTTSWSA-N -1 3 326.307 2.787 20 5 EFBDHM Cc1cc(Oc2ncc([N+](=O)[O-])s2)c(C)c(C)c1-c1nn[n-]n1 ZINC001609411589 1098298517 /nfs/dbraw/zinc/29/85/17/1098298517.db2.gz PYDAXQJJBSJJFS-UHFFFAOYSA-N -1 3 332.345 2.949 20 5 EFBDHM Cc1ccc(-c2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1[N+](=O)[O-] ZINC001609414202 1098301619 /nfs/dbraw/zinc/30/16/19/1098301619.db2.gz WHBKAYLCUGREKP-UHFFFAOYSA-N -1 3 349.310 2.800 20 5 EFBDHM Cc1ccc(-c2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1[N+](=O)[O-] ZINC001609414202 1098301627 /nfs/dbraw/zinc/30/16/27/1098301627.db2.gz WHBKAYLCUGREKP-UHFFFAOYSA-N -1 3 349.310 2.800 20 5 EFBDHM Cc1ccccc1C[C@H](C)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609435914 1098319030 /nfs/dbraw/zinc/31/90/30/1098319030.db2.gz OSPLHTPVFITWMY-NSHDSACASA-N -1 3 339.359 2.521 20 5 EFBDHM Cc1ccccc1C[C@H](C)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609435914 1098319038 /nfs/dbraw/zinc/31/90/38/1098319038.db2.gz OSPLHTPVFITWMY-NSHDSACASA-N -1 3 339.359 2.521 20 5 EFBDHM Cc1csc([C@H](C)CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])n1 ZINC001609442170 1098323594 /nfs/dbraw/zinc/32/35/94/1098323594.db2.gz UQBZYPOAXVDAPH-MRVPVSSYSA-N -1 3 345.388 2.755 20 5 EFBDHM Cc1csc([C@H](C)CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])n1 ZINC001609442170 1098323602 /nfs/dbraw/zinc/32/36/02/1098323602.db2.gz UQBZYPOAXVDAPH-MRVPVSSYSA-N -1 3 345.388 2.755 20 5 EFBDHM Cc1csc([C@H](C)CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])n1 ZINC001609441998 1098324411 /nfs/dbraw/zinc/32/44/11/1098324411.db2.gz MYPFIWQHVWCETQ-MRVPVSSYSA-N -1 3 345.388 2.755 20 5 EFBDHM Cc1csc([C@H](C)CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC001609441998 1098324418 /nfs/dbraw/zinc/32/44/18/1098324418.db2.gz MYPFIWQHVWCETQ-MRVPVSSYSA-N -1 3 345.388 2.755 20 5 EFBDHM Cc1nc(C(C)C)oc1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609449276 1098330711 /nfs/dbraw/zinc/33/07/11/1098330711.db2.gz VQYIAOVAGIMVDX-UHFFFAOYSA-N -1 3 343.347 2.807 20 5 EFBDHM Cc1nc(C(C)C)oc1CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609449276 1098330718 /nfs/dbraw/zinc/33/07/18/1098330718.db2.gz VQYIAOVAGIMVDX-UHFFFAOYSA-N -1 3 343.347 2.807 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CCCC2(CCCC2)C1 ZINC001609600991 1098393889 /nfs/dbraw/zinc/39/38/89/1098393889.db2.gz MVXQFWPYONWVBV-UHFFFAOYSA-N -1 3 328.376 2.936 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CCCC2(CCCC2)C1 ZINC001609600991 1098393896 /nfs/dbraw/zinc/39/38/96/1098393896.db2.gz MVXQFWPYONWVBV-UHFFFAOYSA-N -1 3 328.376 2.936 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCCCc1cccs1 ZINC001609601305 1098397024 /nfs/dbraw/zinc/39/70/24/1098397024.db2.gz GNFIPWFWEBQJGM-UHFFFAOYSA-N -1 3 330.373 2.881 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCCCc1cccs1 ZINC001609601305 1098397031 /nfs/dbraw/zinc/39/70/31/1098397031.db2.gz GNFIPWFWEBQJGM-UHFFFAOYSA-N -1 3 330.373 2.881 20 5 EFBDHM C[C@]1(C(=O)[O-])CCCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC001609811644 1098465648 /nfs/dbraw/zinc/46/56/48/1098465648.db2.gz RGSKUUHBOMLDHF-KRWDZBQOSA-N -1 3 344.371 2.603 20 5 EFBDHM Cc1c(C(=O)[O-])cc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)n1C ZINC001610408986 1098660934 /nfs/dbraw/zinc/66/09/34/1098660934.db2.gz KWIXKWHNNNFXCO-UHFFFAOYSA-N -1 3 331.372 2.965 20 5 EFBDHM O=C([O-])[C@@H]1CCC[C@H]1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001610743378 1098862690 /nfs/dbraw/zinc/86/26/90/1098862690.db2.gz USMLXPBDHQMCAU-ZIAGYGMSSA-N -1 3 331.328 2.593 20 5 EFBDHM O=C([O-])COc1ccc(CN2CCC3(CCC3)CC2)cc1[N+](=O)[O-] ZINC001610786855 1098886692 /nfs/dbraw/zinc/88/66/92/1098886692.db2.gz QNDVKLGETSXQMG-UHFFFAOYSA-N -1 3 334.372 2.824 20 5 EFBDHM CN(CCN(C)c1ccccc1[N+](=O)[O-])C(=O)c1ccccc1[O-] ZINC001105331158 1099080989 /nfs/dbraw/zinc/08/09/89/1099080989.db2.gz RODCTIWLHOCKRL-UHFFFAOYSA-N -1 3 329.356 2.509 20 5 EFBDHM C=C/C(C)=C\CC(=O)N(C)CCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001112156873 1099944581 /nfs/dbraw/zinc/94/45/81/1099944581.db2.gz ZKUZDEJSVUVIQV-QPEQYQDCSA-N -1 3 348.403 2.503 20 5 EFBDHM CC(C)CC(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC1 ZINC001104355665 1102102089 /nfs/dbraw/zinc/10/20/89/1102102089.db2.gz FNHLBRQJNBTGDT-UHFFFAOYSA-N -1 3 336.392 2.582 20 5 EFBDHM Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1[N+](=O)[O-] ZINC000007357434 1107852352 /nfs/dbraw/zinc/85/23/52/1107852352.db2.gz HGENIDBIUWZMHC-UHFFFAOYSA-N -1 3 347.396 2.857 20 5 EFBDHM O=[N+]([O-])c1cc(Cl)[n+]([O-])cc1[N-][C@H](c1ccccn1)C(F)(F)F ZINC001168480038 1111368835 /nfs/dbraw/zinc/36/88/35/1111368835.db2.gz WGWUGUGHBRGDLK-LLVKDONJSA-N -1 3 348.668 2.992 20 5 EFBDHM CCN(CCNc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1[O-] ZINC001106695238 1111723882 /nfs/dbraw/zinc/72/38/82/1111723882.db2.gz TYRMZBYNFXMGJT-UHFFFAOYSA-N -1 3 329.356 2.875 20 5 EFBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C1CCC=CCC1 ZINC001106773419 1111816111 /nfs/dbraw/zinc/81/61/11/1111816111.db2.gz UAIUWQGICSOYQL-UHFFFAOYSA-N -1 3 348.403 2.702 20 5 EFBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C1(C2CC2)CCC1 ZINC001106896929 1112292352 /nfs/dbraw/zinc/29/23/52/1112292352.db2.gz OWPIKNIMVJGFIY-UHFFFAOYSA-N -1 3 348.403 2.536 20 5 EFBDHM O=C(CCC1CCCC1)NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107014586 1119778863 /nfs/dbraw/zinc/77/88/63/1119778863.db2.gz NYNPVOUEZXKDNU-ONEGZZNKSA-N -1 3 348.403 2.750 20 5 EFBDHM C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@@H](c1ccccc1)N(C)C ZINC000436895473 299244965 /nfs/dbraw/zinc/24/49/65/299244965.db2.gz VFVLFWWETQAJFN-SJCJKPOMSA-N -1 3 343.383 2.722 20 5 EFBDHM C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@@H](c1ccccc1)N(C)C ZINC000436938088 299246996 /nfs/dbraw/zinc/24/69/96/299246996.db2.gz JXKQGHMLQMAGEM-SJCJKPOMSA-N -1 3 343.383 2.722 20 5 EFBDHM O=C(Nc1nc2c(s1)CCCCC2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000189889618 237364326 /nfs/dbraw/zinc/36/43/26/237364326.db2.gz BZCZEBSDBQRLRU-UHFFFAOYSA-N -1 3 334.357 2.673 20 5 EFBDHM Cc1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(CN(C)C)c1 ZINC000164643046 239114635 /nfs/dbraw/zinc/11/46/35/239114635.db2.gz NXBZWPXAFDRVEO-UHFFFAOYSA-N -1 3 329.356 2.923 20 5 EFBDHM Cc1cc(N2CCCC2)ccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193375340 240101874 /nfs/dbraw/zinc/10/18/74/240101874.db2.gz JRLLQXKYUSSUBQ-UHFFFAOYSA-N -1 3 342.355 2.856 20 5 EFBDHM Cc1cc(CN(C)C)ccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000414454654 244169534 /nfs/dbraw/zinc/16/95/34/244169534.db2.gz DVFGFIRYEQVQCU-UHFFFAOYSA-N -1 3 349.412 2.766 20 5 EFBDHM COc1ccc(C)cc1CN[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000426763690 247295977 /nfs/dbraw/zinc/29/59/77/247295977.db2.gz CYBPNQJUAODSTG-INIZCTEOSA-N -1 3 344.367 2.697 20 5 EFBDHM O=C(c1n[n-]c2ccc([N+](=O)[O-])cc21)N1CCc2cccc(F)c21 ZINC000427572702 247367472 /nfs/dbraw/zinc/36/74/72/247367472.db2.gz HKVOCGLBNBTLGN-UHFFFAOYSA-N -1 3 326.287 2.813 20 5 EFBDHM O=[N+]([O-])c1cnc(C(F)(F)F)cc1[N-]c1ccn(CC(F)F)n1 ZINC000436398746 249512373 /nfs/dbraw/zinc/51/23/73/249512373.db2.gz ATWFDIJMRBBWOJ-UHFFFAOYSA-N -1 3 337.208 2.636 20 5 EFBDHM COc1ccc(NC(=O)CCOc2ccccc2[N+](=O)[O-])c([O-])c1 ZINC000442680887 250099928 /nfs/dbraw/zinc/09/99/28/250099928.db2.gz JFZGPYLAJVIWDA-UHFFFAOYSA-N -1 3 332.312 2.717 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCc1ccc2[nH]ccc2c1 ZINC000443089106 250161103 /nfs/dbraw/zinc/16/11/03/250161103.db2.gz OPWYVMAQFLITBN-UHFFFAOYSA-N -1 3 345.380 2.597 20 5 EFBDHM O=C(Nc1ccc(OCC(F)F)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445024967 250376395 /nfs/dbraw/zinc/37/63/95/250376395.db2.gz YKKXPKMVBMIHSN-UHFFFAOYSA-N -1 3 339.254 2.592 20 5 EFBDHM CC(C)(C)Cc1csc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC000445140181 250388917 /nfs/dbraw/zinc/38/89/17/250388917.db2.gz YCVSPSPKTADWNX-UHFFFAOYSA-N -1 3 336.373 2.993 20 5 EFBDHM CO[C@@H]1CCC[C@@H](C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)C1 ZINC000449832048 251170785 /nfs/dbraw/zinc/17/07/85/251170785.db2.gz AEJIHXCGFKHZDY-TZMCWYRMSA-N -1 3 344.371 2.551 20 5 EFBDHM CS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000117374769 221058124 /nfs/dbraw/zinc/05/81/24/221058124.db2.gz NJNITKJAKQQGIR-WDEREUQCSA-N -1 3 330.431 2.547 20 5 EFBDHM CS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000117374773 221058383 /nfs/dbraw/zinc/05/83/83/221058383.db2.gz NJNITKJAKQQGIR-GHMZBOCLSA-N -1 3 330.431 2.547 20 5 EFBDHM COC(C)(C)C[C@@H](C)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000173519300 292066538 /nfs/dbraw/zinc/06/65/38/292066538.db2.gz VNLKAQGSTGOQLZ-GFCCVEGCSA-N -1 3 344.433 2.694 20 5 EFBDHM Cc1c(Cl)cc(S(=O)(=O)[N-][C@H]2CC[C@H](F)C2)cc1[N+](=O)[O-] ZINC000344950810 142102181 /nfs/dbraw/zinc/10/21/81/142102181.db2.gz QUPPRLQWXGGTRL-IUCAKERBSA-N -1 3 336.772 2.726 20 5 EFBDHM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc2[nH]ncc21 ZINC000346477264 142209765 /nfs/dbraw/zinc/20/97/65/142209765.db2.gz JZDWFWULMQMYBV-UHFFFAOYSA-N -1 3 346.368 2.889 20 5 EFBDHM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cc2nccnc2cc1F ZINC000347982200 142303778 /nfs/dbraw/zinc/30/37/78/142303778.db2.gz DHLWYLXBVNQEIH-UHFFFAOYSA-N -1 3 342.286 2.938 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC1(C)CCCCC1 ZINC000349932601 142380242 /nfs/dbraw/zinc/38/02/42/142380242.db2.gz OYBVCGMWHLPFAX-UHFFFAOYSA-N -1 3 342.417 2.852 20 5 EFBDHM O=C(Nc1ccc(OC(F)F)cc1F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000338305140 144645207 /nfs/dbraw/zinc/64/52/07/144645207.db2.gz SZICOLKMBRCATK-UHFFFAOYSA-N -1 3 343.217 2.688 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]Cc2cccc3cc[nH]c32)c([N+](=O)[O-])c1 ZINC000342112838 145064374 /nfs/dbraw/zinc/06/43/74/145064374.db2.gz NQZFPTDVOVBAFH-UHFFFAOYSA-N -1 3 345.380 2.863 20 5 EFBDHM O=C([N-]c1ncnn1-c1ccccc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000342491369 145137375 /nfs/dbraw/zinc/13/73/75/145137375.db2.gz OOIMDBHGNURZRU-UHFFFAOYSA-N -1 3 343.730 2.503 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-]CCc2ccccc2C)cc1[N+](=O)[O-] ZINC000342522590 145142287 /nfs/dbraw/zinc/14/22/87/145142287.db2.gz GUHUABLDSRNHME-UHFFFAOYSA-N -1 3 340.426 2.794 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)CCc2ccco2)cc1[N+](=O)[O-] ZINC000342690952 145172934 /nfs/dbraw/zinc/17/29/34/145172934.db2.gz XEOAQXQQSLOFOL-VIFPVBQESA-N -1 3 344.414 2.857 20 5 EFBDHM Cc1cccc(F)c1S(=O)(=O)[N-]CCc1ccccc1[N+](=O)[O-] ZINC000344130993 145375453 /nfs/dbraw/zinc/37/54/53/145375453.db2.gz WJWSPLOBRFJQRR-UHFFFAOYSA-N -1 3 338.360 2.563 20 5 EFBDHM CC1CCC(N2CCN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)CC2)CC1 ZINC000356575831 147280965 /nfs/dbraw/zinc/28/09/65/147280965.db2.gz LBARWAHWCZKCAR-UHFFFAOYSA-N -1 3 347.415 2.637 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](C)C(F)(F)F)c1C ZINC000356686897 147309285 /nfs/dbraw/zinc/30/92/85/147309285.db2.gz DZFLTOCMBDRSNK-QMMMGPOBSA-N -1 3 340.323 2.688 20 5 EFBDHM CC(=O)c1cc(F)c([N-]C(=O)c2ccc([N+](=O)[O-])n2C)c(F)c1F ZINC000359416427 148080283 /nfs/dbraw/zinc/08/02/83/148080283.db2.gz IQDPPVSYEPPJPI-UHFFFAOYSA-N -1 3 341.245 2.806 20 5 EFBDHM O=C(Nc1ccc(OCC(F)F)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000359744454 148178334 /nfs/dbraw/zinc/17/83/34/148178334.db2.gz BLGGPCCZKDZRKW-UHFFFAOYSA-N -1 3 339.254 2.592 20 5 EFBDHM COc1ccc([N-]C(=O)c2ncoc2[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000360001617 148245989 /nfs/dbraw/zinc/24/59/89/148245989.db2.gz AVPLJAOGAZHAEO-GFCCVEGCSA-N -1 3 333.300 2.695 20 5 EFBDHM CC(C)=CC[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000360029675 148254800 /nfs/dbraw/zinc/25/48/00/148254800.db2.gz QRSATNHDAYQOIG-UHFFFAOYSA-N -1 3 349.206 2.602 20 5 EFBDHM COc1ccccc1[C@H]([N-]c1ncc([N+](=O)[O-])s1)c1nccn1C ZINC000374494222 151357270 /nfs/dbraw/zinc/35/72/70/151357270.db2.gz CDCJUQADRRVRSQ-ZDUSSCGKSA-N -1 3 345.384 2.995 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000354484847 286351862 /nfs/dbraw/zinc/35/18/62/286351862.db2.gz BEDJNMJWVQFBOK-NQBHXWOUSA-N -1 3 342.417 2.706 20 5 EFBDHM CCOc1cccc(NCCNC(=O)c2ccc([O-])cc2)c1[N+](=O)[O-] ZINC000183144298 264989405 /nfs/dbraw/zinc/98/94/05/264989405.db2.gz JKLLQSNSQZORMZ-UHFFFAOYSA-N -1 3 345.355 2.541 20 5 EFBDHM Cc1noc(C)c1C[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272082872 266147058 /nfs/dbraw/zinc/14/70/58/266147058.db2.gz GHBRJGXKWZTQDT-UHFFFAOYSA-N -1 3 325.271 2.608 20 5 EFBDHM CN(C)CCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])C1CCCCC1 ZINC000272345829 266237258 /nfs/dbraw/zinc/23/72/58/266237258.db2.gz BHYUIVDWMVMVDG-UHFFFAOYSA-N -1 3 335.404 2.637 20 5 EFBDHM Cc1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccc1[O-] ZINC000272611469 266326967 /nfs/dbraw/zinc/32/69/67/266326967.db2.gz RQPGWGKRZJWOFV-UHFFFAOYSA-N -1 3 341.367 2.571 20 5 EFBDHM CN(C)CCN(Cc1cccs1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272720459 266362998 /nfs/dbraw/zinc/36/29/98/266362998.db2.gz ZVBONRMZZMYREK-UHFFFAOYSA-N -1 3 349.412 2.566 20 5 EFBDHM CCOc1cc([O-])ccc1NC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000276982402 267091790 /nfs/dbraw/zinc/09/17/90/267091790.db2.gz VUUJYTGMCQEWHL-UHFFFAOYSA-N -1 3 334.332 2.798 20 5 EFBDHM COC(=O)c1cc(NC([O-])=NOC2CCCC2)c(C)c([N+](=O)[O-])c1 ZINC000277294836 267149573 /nfs/dbraw/zinc/14/95/73/267149573.db2.gz TYSMOUUZMMODCB-UHFFFAOYSA-N -1 3 337.332 2.686 20 5 EFBDHM COC(=O)c1cc(NC(=O)[N-]OC2CCCC2)c(C)c([N+](=O)[O-])c1 ZINC000277294836 267149576 /nfs/dbraw/zinc/14/95/76/267149576.db2.gz TYSMOUUZMMODCB-UHFFFAOYSA-N -1 3 337.332 2.686 20 5 EFBDHM CC[C@@]1(C)Oc2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc2O1 ZINC000277202072 273150402 /nfs/dbraw/zinc/15/04/02/273150402.db2.gz XZBUXYUXLDORHI-INIZCTEOSA-N -1 3 345.311 2.845 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1C[C@H](c2ccccc2)C1 ZINC000280499283 273334542 /nfs/dbraw/zinc/33/45/42/273334542.db2.gz BWTGNAJGOSZWEG-HDJSIYSDSA-N -1 3 332.381 2.819 20 5 EFBDHM CC(C)(C)c1nsc([N-]C(=O)c2cc([N+](=O)[O-])c(F)cc2N)n1 ZINC000284031626 273788484 /nfs/dbraw/zinc/78/84/84/273788484.db2.gz PGBLTKVUAUPERX-UHFFFAOYSA-N -1 3 339.352 2.717 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-][C@H](C2CC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000288627741 274632211 /nfs/dbraw/zinc/63/22/11/274632211.db2.gz NLDPOXIOEQVUKO-LLVKDONJSA-N -1 3 338.307 2.522 20 5 EFBDHM CC(C)c1[nH]nc(C(=O)[N-]c2ncccc2OC(F)F)c1[N+](=O)[O-] ZINC000269326276 275723196 /nfs/dbraw/zinc/72/31/96/275723196.db2.gz CYDFFFDQMHMINA-UHFFFAOYSA-N -1 3 341.274 2.690 20 5 EFBDHM C[C@H]1CN(C(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c2ccccc2O1 ZINC000347915657 279826710 /nfs/dbraw/zinc/82/67/10/279826710.db2.gz NNCOVWCGJPYUGX-JTQLQIEISA-N -1 3 338.323 2.899 20 5 EFBDHM O=C([N-]c1cccc2ocnc21)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000341597267 280038763 /nfs/dbraw/zinc/03/87/63/280038763.db2.gz GCQBZWGVZJSNBE-UHFFFAOYSA-N -1 3 341.279 2.760 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCCc2c(O)cccc21 ZINC000190339180 280375816 /nfs/dbraw/zinc/37/58/16/280375816.db2.gz JBBOOTGOJFUZOM-CYBMUJFWSA-N -1 3 348.380 2.656 20 5 EFBDHM O=C([N-]c1nncn1Cc1ccccc1)c1ccc([N+](=O)[O-])s1 ZINC000117737692 292892590 /nfs/dbraw/zinc/89/25/90/292892590.db2.gz IWRMXIIMFHMRBI-UHFFFAOYSA-N -1 3 329.341 2.548 20 5 EFBDHM O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125359538 293009361 /nfs/dbraw/zinc/00/93/61/293009361.db2.gz CHDHNWKXJWRALW-UHFFFAOYSA-N -1 3 344.249 2.545 20 5 EFBDHM O=C(Nc1cccc([O-])c1F)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000128186616 293093832 /nfs/dbraw/zinc/09/38/32/293093832.db2.gz JUVJWGCMFGPBAW-UHFFFAOYSA-N -1 3 342.286 2.878 20 5 EFBDHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C)CO2 ZINC000152564622 293339546 /nfs/dbraw/zinc/33/95/46/293339546.db2.gz FHDQLCCXXNXQDK-CQSZACIVSA-N -1 3 348.380 2.624 20 5 EFBDHM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1ncn(C(C)(C)C)n1 ZINC000292159971 294598217 /nfs/dbraw/zinc/59/82/17/294598217.db2.gz FDXHOEIZUGWNHV-UHFFFAOYSA-N -1 3 333.348 2.592 20 5 EFBDHM COCc1nsc([N-]C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)n1 ZINC000295061731 295263122 /nfs/dbraw/zinc/26/31/22/295263122.db2.gz ZASQAJZCRWVTTG-UHFFFAOYSA-N -1 3 342.764 2.807 20 5 EFBDHM CC(C)(CCC(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1)[N+](=O)[O-] ZINC000295460078 295324476 /nfs/dbraw/zinc/32/44/76/295324476.db2.gz QBYOBTUQZTVOFA-UHFFFAOYSA-N -1 3 343.343 2.992 20 5 EFBDHM CC(C)(CCC(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1)[N+](=O)[O-] ZINC000295460078 295324477 /nfs/dbraw/zinc/32/44/77/295324477.db2.gz QBYOBTUQZTVOFA-UHFFFAOYSA-N -1 3 343.343 2.992 20 5 EFBDHM CC(C)(CCC(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1)[N+](=O)[O-] ZINC000295460078 295324478 /nfs/dbraw/zinc/32/44/78/295324478.db2.gz QBYOBTUQZTVOFA-UHFFFAOYSA-N -1 3 343.343 2.992 20 5 EFBDHM CC[C@@H]1CCc2nc([N-]C(=O)c3n[nH]c(C)c3[N+](=O)[O-])sc2C1 ZINC000299538056 311094471 /nfs/dbraw/zinc/09/44/71/311094471.db2.gz NTUNRUVMFPIRAG-MRVPVSSYSA-N -1 3 335.389 2.850 20 5 EFBDHM Cc1ccc(N2CCN(C(=O)c3ccccc3[O-])CC2)c([N+](=O)[O-])c1 ZINC000301816586 311160344 /nfs/dbraw/zinc/16/03/44/311160344.db2.gz JOUDGPFMHKUSEM-UHFFFAOYSA-N -1 3 341.367 2.571 20 5 EFBDHM O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1[N-]CC(F)(F)CO ZINC000302218824 311185378 /nfs/dbraw/zinc/18/53/78/311185378.db2.gz QURLGKNEBAMJNA-UHFFFAOYSA-N -1 3 345.180 2.561 20 5 EFBDHM CCc1ccc([O-])c(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000332470673 311508371 /nfs/dbraw/zinc/50/83/71/311508371.db2.gz SNLVTHPAYRAXPV-UHFFFAOYSA-N -1 3 344.371 2.537 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]C[C@H](C)CC(F)(F)F)c([N+](=O)[O-])c1 ZINC000416612923 312193339 /nfs/dbraw/zinc/19/33/39/312193339.db2.gz ZMSNKMHUPUQKMA-SECBINFHSA-N -1 3 340.323 2.770 20 5 EFBDHM CSC1(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)CCC1 ZINC000429418121 312543593 /nfs/dbraw/zinc/54/35/93/312543593.db2.gz IKLHDPYTDYANOH-UHFFFAOYSA-N -1 3 332.385 2.631 20 5 EFBDHM COc1cc(C)cc(-c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)c1[O-] ZINC000437003256 312609201 /nfs/dbraw/zinc/60/92/01/312609201.db2.gz UNLQEEDDYFAIMA-UHFFFAOYSA-N -1 3 342.311 2.917 20 5 EFBDHM CC(C)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000443204736 312650653 /nfs/dbraw/zinc/65/06/53/312650653.db2.gz ASTSANFSJPIFBA-LLVKDONJSA-N -1 3 340.323 2.850 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCCC2(F)F)cc1C ZINC000451827435 312826792 /nfs/dbraw/zinc/82/67/92/312826792.db2.gz UKDOHMBVXOAION-LLVKDONJSA-N -1 3 348.371 2.925 20 5 EFBDHM CN(C)CCN(Cc1ccsc1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000458222119 313086562 /nfs/dbraw/zinc/08/65/62/313086562.db2.gz KVORCSPRHXZFKE-UHFFFAOYSA-N -1 3 349.412 2.566 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@H]2C2CCCCC2)c(F)c1 ZINC000462500795 313115615 /nfs/dbraw/zinc/11/56/15/313115615.db2.gz JLFWQZBKPOLBGY-JSGCOSHPSA-N -1 3 342.392 2.981 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]C/C=C\c2ccccc2)c([N+](=O)[O-])c1 ZINC000479996452 313278298 /nfs/dbraw/zinc/27/82/98/313278298.db2.gz XXTOQPNNFQBAGL-YVMONPNESA-N -1 3 332.381 2.895 20 5 EFBDHM COc1ccccc1CO[N-]C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000492598728 314052284 /nfs/dbraw/zinc/05/22/84/314052284.db2.gz WBIQIQLWQWARPN-KHPPLWFESA-N -1 3 328.324 2.865 20 5 EFBDHM CCc1ccc([O-])c(C(=O)NCCNc2ccccc2[N+](=O)[O-])c1 ZINC000500416693 315419235 /nfs/dbraw/zinc/41/92/35/315419235.db2.gz XDTBLLMDCALKDQ-UHFFFAOYSA-N -1 3 329.356 2.705 20 5 EFBDHM Cc1cccc(CC[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000507961620 315490996 /nfs/dbraw/zinc/49/09/96/315490996.db2.gz MDEKJNGUSBYFMU-UHFFFAOYSA-N -1 3 334.397 2.733 20 5 EFBDHM Cc1cccc(C(=O)[N-]c2ncn(Cc3ccccc3)n2)c1[N+](=O)[O-] ZINC000515589474 315628199 /nfs/dbraw/zinc/62/81/99/315628199.db2.gz FIUSMDQTXAZTSD-UHFFFAOYSA-N -1 3 337.339 2.795 20 5 EFBDHM CC1CCC(N2CCN(c3ccc([N+](=O)[O-])c(C(=O)[O-])c3)CC2)CC1 ZINC000519652402 315891170 /nfs/dbraw/zinc/89/11/70/315891170.db2.gz PJILPXVULIMOOM-UHFFFAOYSA-N -1 3 347.415 2.994 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)Cc2ccsc2)c([N+](=O)[O-])c1 ZINC000523499212 316127764 /nfs/dbraw/zinc/12/77/64/316127764.db2.gz XMXTYXKYVLNBTC-NSHDSACASA-N -1 3 340.426 2.874 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC(C2CC2)C2CC2)c(Cl)c1 ZINC000525187875 316194548 /nfs/dbraw/zinc/19/45/48/316194548.db2.gz KPQILZLYAPWMFU-UHFFFAOYSA-N -1 3 344.820 2.963 20 5 EFBDHM CS[C@@H](C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(C)(C)C ZINC000541310155 317772812 /nfs/dbraw/zinc/77/28/12/317772812.db2.gz XFTZGVWBHHLACX-LBPRGKRZSA-N -1 3 346.474 2.959 20 5 EFBDHM CC[C@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C)C(F)(F)F ZINC000548146759 318078541 /nfs/dbraw/zinc/07/85/41/318078541.db2.gz OSONZTMRDLGDNJ-NSHDSACASA-N -1 3 340.323 2.913 20 5 EFBDHM CC(=O)c1cccc(NC(=O)CCNc2ccccc2[N+](=O)[O-])c1[O-] ZINC000552288385 318251417 /nfs/dbraw/zinc/25/14/17/318251417.db2.gz SEXMJKCJHBWKBG-UHFFFAOYSA-N -1 3 343.339 2.944 20 5 EFBDHM CC(=O)c1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1[O-] ZINC000552286346 318251461 /nfs/dbraw/zinc/25/14/61/318251461.db2.gz NGTKXZLDDXOBFG-UHFFFAOYSA-N -1 3 330.296 2.521 20 5 EFBDHM CC(=O)c1cccc(NC(=O)COc2cccc([N+](=O)[O-])c2)c1[O-] ZINC000556891596 318417667 /nfs/dbraw/zinc/41/76/67/318417667.db2.gz HJTCOTGOQCJDFA-UHFFFAOYSA-N -1 3 330.296 2.521 20 5 EFBDHM CN(C)C[C@H]1CCCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000567944272 319229074 /nfs/dbraw/zinc/22/90/74/319229074.db2.gz IDIIWKZHLLAQIM-LLVKDONJSA-N -1 3 341.795 2.510 20 5 EFBDHM CCN(CC)[C@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])c1ccco1 ZINC000577496888 320116669 /nfs/dbraw/zinc/11/66/69/320116669.db2.gz RFXCKUJAUMNBKW-GFCCVEGCSA-N -1 3 348.359 2.776 20 5 EFBDHM CCN(CC)[C@@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])c1ccco1 ZINC000577496890 320116698 /nfs/dbraw/zinc/11/66/98/320116698.db2.gz RFXCKUJAUMNBKW-LBPRGKRZSA-N -1 3 348.359 2.776 20 5 EFBDHM O=C([O-])[C@@H]1c2ccccc2CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000580574957 324192732 /nfs/dbraw/zinc/19/27/32/324192732.db2.gz RYLPCDWLEWPYLZ-KRWDZBQOSA-N -1 3 342.351 2.658 20 5 EFBDHM CC(C)CN1CCCC[C@@H]1CNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000581194233 324325580 /nfs/dbraw/zinc/32/55/80/324325580.db2.gz XSQMETQNYSTHER-GFCCVEGCSA-N -1 3 336.392 2.610 20 5 EFBDHM COc1ccc(N(C)C(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1F ZINC000137741478 473211809 /nfs/dbraw/zinc/21/18/09/473211809.db2.gz FWHVESCUZPTVCC-UHFFFAOYSA-N -1 3 344.302 2.895 20 5 EFBDHM O=C(Nc1ccc([O-])cc1F)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000124268760 473225290 /nfs/dbraw/zinc/22/52/90/473225290.db2.gz JEZYAXFTQBVRIY-UHFFFAOYSA-N -1 3 342.286 2.878 20 5 EFBDHM COc1ccc([O-])c(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000176885175 473260615 /nfs/dbraw/zinc/26/06/15/473260615.db2.gz CONKDACAGVFXTO-UHFFFAOYSA-N -1 3 330.340 2.974 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCCC2)c(C(F)(F)F)c1 ZINC000162686002 473371922 /nfs/dbraw/zinc/37/19/22/473371922.db2.gz WKNRPHLVLAJVPT-UHFFFAOYSA-N -1 3 338.307 2.835 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)c1ccsc1 ZINC000619752383 479875255 /nfs/dbraw/zinc/87/52/55/479875255.db2.gz WQCZNQXXFYQQIE-SECBINFHSA-N -1 3 342.398 2.704 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000337946107 475452229 /nfs/dbraw/zinc/45/22/29/475452229.db2.gz XFERACHUGYRHBT-ZIAGYGMSSA-N -1 3 332.381 2.738 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2(C(C)C)CC2)cc1C ZINC000440417377 478116137 /nfs/dbraw/zinc/11/61/37/478116137.db2.gz QKTOSAMLTUXEHN-UHFFFAOYSA-N -1 3 326.418 2.926 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000008508621 471691993 /nfs/dbraw/zinc/69/19/93/471691993.db2.gz RSRGDAMNZJQWNF-UHFFFAOYSA-N -1 3 328.296 2.982 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@@H]1CCCc2ccccc21 ZINC000012943081 471806275 /nfs/dbraw/zinc/80/62/75/471806275.db2.gz HYLMCSDDGWWMIW-AWEZNQCLSA-N -1 3 346.408 2.993 20 5 EFBDHM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000016087825 471925155 /nfs/dbraw/zinc/92/51/55/471925155.db2.gz PRJGQGMJQOMZQY-SECBINFHSA-N -1 3 342.323 2.913 20 5 EFBDHM COC(=O)c1sccc1[N-]C(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000068248562 472156578 /nfs/dbraw/zinc/15/65/78/472156578.db2.gz MCZMFVUEIHZZQU-UHFFFAOYSA-N -1 3 336.325 2.704 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1cccc2cccnc21 ZINC000068838883 472253769 /nfs/dbraw/zinc/25/37/69/472253769.db2.gz SNXIZXMBVYYEDF-UHFFFAOYSA-N -1 3 343.364 2.622 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CCc2ccccc21 ZINC000056001433 472269597 /nfs/dbraw/zinc/26/95/97/472269597.db2.gz RQVRZQLRYCJYNI-AWEZNQCLSA-N -1 3 332.381 2.869 20 5 EFBDHM Cc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)s1 ZINC000056078940 472278914 /nfs/dbraw/zinc/27/89/14/472278914.db2.gz ZJPCCIMFEDQWDK-UHFFFAOYSA-N -1 3 330.362 2.582 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H](C)C1 ZINC000057011803 472373814 /nfs/dbraw/zinc/37/38/14/472373814.db2.gz KFCCNJBTQXEPSH-VXGBXAGGSA-N -1 3 342.417 2.708 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(N2CCN(C(=O)c3cccc([O-])c3)CC2)c1 ZINC000088717867 472381514 /nfs/dbraw/zinc/38/15/14/472381514.db2.gz DTKPIAYNBROMFM-UHFFFAOYSA-N -1 3 341.367 2.571 20 5 EFBDHM Cc1csc(C(C)(C)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000116377846 472398031 /nfs/dbraw/zinc/39/80/31/472398031.db2.gz CUCNXGKSEVRRTR-UHFFFAOYSA-N -1 3 341.414 2.573 20 5 EFBDHM COc1cc(F)ccc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000046358917 472547932 /nfs/dbraw/zinc/54/79/32/472547932.db2.gz BHVUMZBGARBDGH-UHFFFAOYSA-N -1 3 330.275 2.871 20 5 EFBDHM C[C@@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000077617285 472567433 /nfs/dbraw/zinc/56/74/33/472567433.db2.gz SDAYMOGQDSUJLQ-QMTHXVAHSA-N -1 3 336.369 2.790 20 5 EFBDHM Cc1nn(C)c(NCc2ccc([O-])c(Br)c2)c1[N+](=O)[O-] ZINC000155616811 472581314 /nfs/dbraw/zinc/58/13/14/472581314.db2.gz IRIZCELLCHDXRU-UHFFFAOYSA-N -1 3 341.165 2.717 20 5 EFBDHM Cc1ccc(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cc1 ZINC000060496573 472661940 /nfs/dbraw/zinc/66/19/40/472661940.db2.gz TVOLIQLQXNCMJH-UHFFFAOYSA-N -1 3 334.397 2.999 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2cccc(F)c2)cc1C ZINC000060499383 472662905 /nfs/dbraw/zinc/66/29/05/472662905.db2.gz FCNGQLGMJWQSBI-UHFFFAOYSA-N -1 3 338.360 2.829 20 5 EFBDHM O=C([N-]O[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1Br ZINC000120467094 472692770 /nfs/dbraw/zinc/69/27/70/472692770.db2.gz HPXNCXWDRCECLX-LLVKDONJSA-N -1 3 345.149 2.545 20 5 EFBDHM COC(=O)c1cc(C(=O)[N-]c2c(C)noc2C2CC2)cc([N+](=O)[O-])c1 ZINC000156567373 472726790 /nfs/dbraw/zinc/72/67/90/472726790.db2.gz AUTDODCQDDZEPX-UHFFFAOYSA-N -1 3 345.311 2.808 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccs2)c(Cl)c1 ZINC000047542908 472729366 /nfs/dbraw/zinc/72/93/66/472729366.db2.gz JXVKPXHNMMKPIL-UHFFFAOYSA-N -1 3 332.790 2.788 20 5 EFBDHM CNC(=O)c1ccc(Cl)c([N-]C(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000079211871 472831790 /nfs/dbraw/zinc/83/17/90/472831790.db2.gz LEBPJXJVWJUOAI-UHFFFAOYSA-N -1 3 339.760 2.922 20 5 EFBDHM O=C(NCc1ccc([O-])c(F)c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000158657242 472957431 /nfs/dbraw/zinc/95/74/31/472957431.db2.gz MRKOHXQCGKITFK-UHFFFAOYSA-N -1 3 341.298 2.918 20 5 EFBDHM CC(C)OC1CCC([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000159385859 473022715 /nfs/dbraw/zinc/02/27/15/473022715.db2.gz IGOKTPNQZPGIQE-UHFFFAOYSA-N -1 3 342.417 2.609 20 5 EFBDHM CCc1cc(=O)[n-]c(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000135233238 473041211 /nfs/dbraw/zinc/04/12/11/473041211.db2.gz HMDSORIUTYXOBC-UHFFFAOYSA-N -1 3 328.372 2.817 20 5 EFBDHM O=C(Cc1ccc([O-])cc1Cl)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000159648784 473048482 /nfs/dbraw/zinc/04/84/82/473048482.db2.gz JNSSVRGUMCVFID-UHFFFAOYSA-N -1 3 349.774 2.725 20 5 EFBDHM CC(C)OCc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000109093263 473078120 /nfs/dbraw/zinc/07/81/20/473078120.db2.gz WKFQEMNWDYBAMO-UHFFFAOYSA-N -1 3 331.328 2.873 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCc1cc2ccccc2[nH]1 ZINC000135538900 473090514 /nfs/dbraw/zinc/09/05/14/473090514.db2.gz ITRYBWIMJUEYPL-UHFFFAOYSA-N -1 3 345.380 2.597 20 5 EFBDHM Cc1ccc(-c2nc([N-]C(=O)c3ccc([N+](=O)[O-])cc3F)n[nH]2)o1 ZINC000160233015 473099157 /nfs/dbraw/zinc/09/91/57/473099157.db2.gz JGMBMYMRDGEFHI-UHFFFAOYSA-N -1 3 331.263 2.673 20 5 EFBDHM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)c1 ZINC000074932657 473099339 /nfs/dbraw/zinc/09/93/39/473099339.db2.gz ABQPDUBFNUXMSK-UHFFFAOYSA-N -1 3 332.259 2.813 20 5 EFBDHM Cc1ccc(-c2nnc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)[n-]2)o1 ZINC000160345365 473109448 /nfs/dbraw/zinc/10/94/48/473109448.db2.gz QJBLHXAGRIRNAC-UHFFFAOYSA-N -1 3 327.300 2.842 20 5 EFBDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)o1 ZINC000160345365 473109456 /nfs/dbraw/zinc/10/94/56/473109456.db2.gz QJBLHXAGRIRNAC-UHFFFAOYSA-N -1 3 327.300 2.842 20 5 EFBDHM Cc1ccc(-c2nc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)n[n-]2)o1 ZINC000160345365 473109459 /nfs/dbraw/zinc/10/94/59/473109459.db2.gz QJBLHXAGRIRNAC-UHFFFAOYSA-N -1 3 327.300 2.842 20 5 EFBDHM Cc1ccc(-c2nnc(NC(=O)CCc3cccc([N+](=O)[O-])c3)[n-]2)o1 ZINC000160422900 473121835 /nfs/dbraw/zinc/12/18/35/473121835.db2.gz PXYISXZVICKNRX-UHFFFAOYSA-N -1 3 341.327 2.853 20 5 EFBDHM Cc1ccc(-c2n[n-]c(NC(=O)CCc3cccc([N+](=O)[O-])c3)n2)o1 ZINC000160422900 473121846 /nfs/dbraw/zinc/12/18/46/473121846.db2.gz PXYISXZVICKNRX-UHFFFAOYSA-N -1 3 341.327 2.853 20 5 EFBDHM Cc1ccc(-c2nc(NC(=O)CCc3cccc([N+](=O)[O-])c3)n[n-]2)o1 ZINC000160422900 473121856 /nfs/dbraw/zinc/12/18/56/473121856.db2.gz PXYISXZVICKNRX-UHFFFAOYSA-N -1 3 341.327 2.853 20 5 EFBDHM Cc1noc(C)c1[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000123999691 473203398 /nfs/dbraw/zinc/20/33/98/473203398.db2.gz ATSMPJYDGTYNSB-SSDOTTSWSA-N -1 3 345.402 2.609 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-]Cc2cc(C(C)C)no2)cc1[N+](=O)[O-] ZINC000124003643 473204144 /nfs/dbraw/zinc/20/41/44/473204144.db2.gz OXCFGSLEZGTZNB-UHFFFAOYSA-N -1 3 345.402 2.555 20 5 EFBDHM CCCc1[nH]nc(C(=O)[N-]c2cc(F)c(OC)cc2F)c1[N+](=O)[O-] ZINC000125780342 473456972 /nfs/dbraw/zinc/45/69/72/473456972.db2.gz AOEQFVCJKKMJIS-UHFFFAOYSA-N -1 3 340.286 2.810 20 5 EFBDHM Cc1nn(C)c(C(=O)Nc2cccc(C(C)(C)C)c2[O-])c1[N+](=O)[O-] ZINC000185850209 473530050 /nfs/dbraw/zinc/53/00/50/473530050.db2.gz NWJPFWZTLFOTLC-UHFFFAOYSA-N -1 3 332.360 2.892 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCC[C@H]1CCCCO1 ZINC000186170631 473607533 /nfs/dbraw/zinc/60/75/33/473607533.db2.gz ODODRIOEGZYUHC-CYBMUJFWSA-N -1 3 342.417 2.531 20 5 EFBDHM O=C(Nc1cc(-c2ccncc2)[nH]n1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000170829574 473623572 /nfs/dbraw/zinc/62/35/72/473623572.db2.gz MJTYVWIRWSOWQX-UHFFFAOYSA-N -1 3 349.310 2.509 20 5 EFBDHM COc1cccc(C2([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000127688780 473640513 /nfs/dbraw/zinc/64/05/13/473640513.db2.gz VEVWNZCKZAPVSU-UHFFFAOYSA-N -1 3 348.380 2.571 20 5 EFBDHM Cc1cccc2sc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)nc21 ZINC000186814636 473762773 /nfs/dbraw/zinc/76/27/73/473762773.db2.gz JUXJUGSMTYEDJD-UHFFFAOYSA-N -1 3 330.325 2.866 20 5 EFBDHM CCCN(CC(=O)[O-])Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000263570433 473779428 /nfs/dbraw/zinc/77/94/28/473779428.db2.gz IEQBBVFCNNESCJ-UHFFFAOYSA-N -1 3 331.166 2.654 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)Sc1nnc2[n-]c(=O)c(C)nn21 ZINC000180050687 473786297 /nfs/dbraw/zinc/78/62/97/473786297.db2.gz MLAJJEVAWZNCTI-VIFPVBQESA-N -1 3 346.372 2.603 20 5 EFBDHM CC[C@H]1CCc2nc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)sc2C1 ZINC000186969281 473790482 /nfs/dbraw/zinc/79/04/82/473790482.db2.gz JFKRBQZBDGFOEI-QMMMGPOBSA-N -1 3 348.384 2.919 20 5 EFBDHM CSc1cccc(C(=O)[N-]c2nc3ccccn3n2)c1[N+](=O)[O-] ZINC000186967430 473790649 /nfs/dbraw/zinc/79/06/49/473790649.db2.gz AURRCELPXRZYCQ-UHFFFAOYSA-N -1 3 329.341 2.612 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H]1Cc2ccccc21 ZINC000193980569 473824155 /nfs/dbraw/zinc/82/41/55/473824155.db2.gz VJUFPMVDDXEUSH-ZDUSSCGKSA-N -1 3 332.381 2.521 20 5 EFBDHM CCO[C@@H](CC[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(C)C ZINC000173522144 473864902 /nfs/dbraw/zinc/86/49/02/473864902.db2.gz KQWGPVHIFPJXPS-AWEZNQCLSA-N -1 3 344.433 2.633 20 5 EFBDHM COc1cc(Cl)c(C)cc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187543056 473882539 /nfs/dbraw/zinc/88/25/39/473882539.db2.gz DANUGGVCGOMJHA-UHFFFAOYSA-N -1 3 337.719 2.918 20 5 EFBDHM O=C(/C=C/c1cncc([O-])c1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000182038958 474086499 /nfs/dbraw/zinc/08/64/99/474086499.db2.gz QAFUEQJEUHFQAY-RMKNXTFCSA-N -1 3 341.367 2.848 20 5 EFBDHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000175625568 474268186 /nfs/dbraw/zinc/26/81/86/474268186.db2.gz NUQDQDOMPMEGDL-SNVBAGLBSA-N -1 3 341.414 2.708 20 5 EFBDHM O=C(Nc1ccc2oc(C3CC3)nc2c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000189061803 474278790 /nfs/dbraw/zinc/27/87/90/474278790.db2.gz VPWAELJPVCCYRO-UHFFFAOYSA-N -1 3 340.295 2.966 20 5 EFBDHM CC(C)(C)c1cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)n[nH]1 ZINC000608783458 480093312 /nfs/dbraw/zinc/09/33/12/480093312.db2.gz FRWORVGHZKUFMZ-UHFFFAOYSA-N -1 3 328.332 2.744 20 5 EFBDHM CCS[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000175703348 474286835 /nfs/dbraw/zinc/28/68/35/474286835.db2.gz WRNSEODROGTERK-AAEUAGOBSA-N -1 3 344.458 2.937 20 5 EFBDHM CC(C)Cc1nnc([N-]C(=O)c2cc([N+](=O)[O-])c(F)cc2N)s1 ZINC000283474324 474413206 /nfs/dbraw/zinc/41/32/06/474413206.db2.gz MRJKBRLUJKJFPQ-UHFFFAOYSA-N -1 3 339.352 2.618 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000284359052 474625802 /nfs/dbraw/zinc/62/58/02/474625802.db2.gz SQMLYAAMSMAAMD-NWDGAFQWSA-N -1 3 332.360 2.520 20 5 EFBDHM COc1ccc([N-]C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000272989086 474658841 /nfs/dbraw/zinc/65/88/41/474658841.db2.gz VTNAQZGEHKFLFN-UHFFFAOYSA-N -1 3 349.303 2.610 20 5 EFBDHM C[C@@]1([N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CCO[C@H]1C1CC1 ZINC000273238877 474795725 /nfs/dbraw/zinc/79/57/25/474795725.db2.gz FTDCREXEJNTATI-DZGCQCFKSA-N -1 3 340.326 2.760 20 5 EFBDHM O=C(N=c1cc(-c2cccnc2)[n-][nH]1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000339284814 475119084 /nfs/dbraw/zinc/11/90/84/475119084.db2.gz TZPYRBRFWUYFFY-UHFFFAOYSA-N -1 3 349.306 2.800 20 5 EFBDHM Cc1cccnc1CCC[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000296200367 475222222 /nfs/dbraw/zinc/22/22/22/475222222.db2.gz VEZKIRCCYUJSPP-UHFFFAOYSA-N -1 3 349.412 2.518 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1cc2ccccc2[nH]1 ZINC000337737436 475283865 /nfs/dbraw/zinc/28/38/65/475283865.db2.gz JMNZABBRZUOGFL-UHFFFAOYSA-N -1 3 345.380 2.863 20 5 EFBDHM Cc1[nH]nc(C(=O)[N-]c2nc3cc(F)c(C)cc3s2)c1[N+](=O)[O-] ZINC000357999792 475322300 /nfs/dbraw/zinc/32/23/00/475322300.db2.gz OLHRSRXXCWPYEL-UHFFFAOYSA-N -1 3 335.320 2.936 20 5 EFBDHM CCC[C@@H]1CCc2nc([N-]C(=O)c3nn(C)cc3[N+](=O)[O-])sc2C1 ZINC000331765153 475407241 /nfs/dbraw/zinc/40/72/41/475407241.db2.gz KCYPFWMRNVZIFG-SECBINFHSA-N -1 3 349.416 2.942 20 5 EFBDHM CCN=c1[n-]c(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cs1 ZINC000358155104 475445327 /nfs/dbraw/zinc/44/53/27/475445327.db2.gz SGSUAUYJZZYHLW-UHFFFAOYSA-N -1 3 348.428 2.658 20 5 EFBDHM CCSc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])c(OC)c2)s1 ZINC000338015807 475508339 /nfs/dbraw/zinc/50/83/39/475508339.db2.gz WEEDZPUQTUKHKJ-UHFFFAOYSA-N -1 3 340.386 2.819 20 5 EFBDHM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCN(CC2CCCCC2)CC1 ZINC000332115204 475518496 /nfs/dbraw/zinc/51/84/96/475518496.db2.gz JYYVIMFSQHHNOT-UHFFFAOYSA-N -1 3 347.415 2.639 20 5 EFBDHM COCc1cccc2sc([N-]C(=O)c3n[nH]c(C)c3[N+](=O)[O-])nc21 ZINC000354968707 475566532 /nfs/dbraw/zinc/56/65/32/475566532.db2.gz BRXWTANQVUJSDR-UHFFFAOYSA-N -1 3 347.356 2.635 20 5 EFBDHM CC1CCC(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000352725070 475567554 /nfs/dbraw/zinc/56/75/54/475567554.db2.gz LKXLFOUZWOVDMH-UHFFFAOYSA-N -1 3 330.381 2.839 20 5 EFBDHM C[C@H]1COc2ccccc2N1C(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000342757647 475635528 /nfs/dbraw/zinc/63/55/28/475635528.db2.gz CCVPPODDVVPDJM-JTQLQIEISA-N -1 3 338.323 2.899 20 5 EFBDHM C[C@@H]1COc2ccccc2N1C(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000342757649 475635544 /nfs/dbraw/zinc/63/55/44/475635544.db2.gz CCVPPODDVVPDJM-SNVBAGLBSA-N -1 3 338.323 2.899 20 5 EFBDHM O=c1[n-]cnc2c1CN(c1c(Cl)cc(Cl)cc1[N+](=O)[O-])CC2 ZINC000340012481 475686319 /nfs/dbraw/zinc/68/63/19/475686319.db2.gz AFEMGASQHQORAI-UHFFFAOYSA-N -1 3 341.154 2.960 20 5 EFBDHM Cc1[nH]nc(C(=O)[N-]c2ccc(OC(F)F)cc2F)c1[N+](=O)[O-] ZINC000338306067 475768652 /nfs/dbraw/zinc/76/86/52/475768652.db2.gz FQCKMWHGNBOJMF-UHFFFAOYSA-N -1 3 330.222 2.619 20 5 EFBDHM O=C(Nc1cccc(-n2cccn2)c1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000343126524 475791217 /nfs/dbraw/zinc/79/12/17/475791217.db2.gz QRNYVXMWDOEXOO-UHFFFAOYSA-N -1 3 348.322 2.909 20 5 EFBDHM CSCCCCC[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000358651344 475836717 /nfs/dbraw/zinc/83/67/17/475836717.db2.gz MJJPKNNZIBULRW-UHFFFAOYSA-N -1 3 332.447 2.715 20 5 EFBDHM COc1cccc2sc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)nc21 ZINC000361913113 475862186 /nfs/dbraw/zinc/86/21/86/475862186.db2.gz UWDKVCQDOFBPIE-UHFFFAOYSA-N -1 3 346.324 2.566 20 5 EFBDHM CCOc1ccc([C@H](C)NCc2cnc(C)[n-]c2=O)cc1[N+](=O)[O-] ZINC000346807832 475875337 /nfs/dbraw/zinc/87/53/37/475875337.db2.gz MORSLVRVEIEXEI-JTQLQIEISA-N -1 3 332.360 2.648 20 5 EFBDHM CCOc1ccc([C@@H](C)NCc2cnc(C)[n-]c2=O)cc1[N+](=O)[O-] ZINC000346807833 475875440 /nfs/dbraw/zinc/87/54/40/475875440.db2.gz MORSLVRVEIEXEI-SNVBAGLBSA-N -1 3 332.360 2.648 20 5 EFBDHM O=C(Nc1cc(Br)ccc1[O-])c1cc([N+](=O)[O-])c[nH]1 ZINC000340319285 475944241 /nfs/dbraw/zinc/94/42/41/475944241.db2.gz ZQVQXQJDGJQXOT-UHFFFAOYSA-N -1 3 326.106 2.643 20 5 EFBDHM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)[C@H]1C ZINC000340388904 476004357 /nfs/dbraw/zinc/00/43/57/476004357.db2.gz ASIGDCSJEYJYCC-GBIKHYSHSA-N -1 3 330.381 2.837 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1c(F)cccc1Cl ZINC000346986416 476010499 /nfs/dbraw/zinc/01/04/99/476010499.db2.gz DUMTZVOAKYUVJV-UHFFFAOYSA-N -1 3 344.751 2.866 20 5 EFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1c(F)cccc1F ZINC000340498248 476067774 /nfs/dbraw/zinc/06/77/74/476067774.db2.gz LFIVBUFPZMHBEC-VIFPVBQESA-N -1 3 342.323 2.913 20 5 EFBDHM Cc1cc(N(C)C[C@@H](C)c2nnn[n-]2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338688089 476112788 /nfs/dbraw/zinc/11/27/88/476112788.db2.gz BEOBNTOJHWYUNG-MRVPVSSYSA-N -1 3 344.297 2.675 20 5 EFBDHM Cc1cc(N(C)C[C@@H](C)c2nn[n-]n2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338688089 476112798 /nfs/dbraw/zinc/11/27/98/476112798.db2.gz BEOBNTOJHWYUNG-MRVPVSSYSA-N -1 3 344.297 2.675 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1-c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000350485740 476208206 /nfs/dbraw/zinc/20/82/06/476208206.db2.gz NHRBXONJZIRZFW-UHFFFAOYSA-N -1 3 338.283 2.592 20 5 EFBDHM COC(=O)c1cc(C(=O)Nc2c(C)cccc2[O-])cc([N+](=O)[O-])c1 ZINC000357094573 476228545 /nfs/dbraw/zinc/22/85/45/476228545.db2.gz OPQAIXTUYLXQMZ-UHFFFAOYSA-N -1 3 330.296 2.648 20 5 EFBDHM Cc1ncc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(=O)[n-]1 ZINC000344326264 476253254 /nfs/dbraw/zinc/25/32/54/476253254.db2.gz ILTWZNAJOOTXJJ-UHFFFAOYSA-N -1 3 340.339 2.949 20 5 EFBDHM Cc1cc2n[nH]cc2cc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000360414708 476301881 /nfs/dbraw/zinc/30/18/81/476301881.db2.gz SFLLITUPDXRBMP-UHFFFAOYSA-N -1 3 336.311 2.908 20 5 EFBDHM COc1cc(CNCc2ccnc(SC)c2)c([N+](=O)[O-])cc1[O-] ZINC000357342932 476339408 /nfs/dbraw/zinc/33/94/08/476339408.db2.gz FFINWMPSLSCMRF-UHFFFAOYSA-N -1 3 335.385 2.716 20 5 EFBDHM Cc1nc(C)c(Cc2nc(-c3cccc([N+](=O)[O-])c3C)no2)c(=O)[n-]1 ZINC000351152817 476348449 /nfs/dbraw/zinc/34/84/49/476348449.db2.gz WZYOGSJLEFASRG-UHFFFAOYSA-N -1 3 341.327 2.656 20 5 EFBDHM C[C@@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000377391892 476380013 /nfs/dbraw/zinc/38/00/13/476380013.db2.gz USPPJFMOJWSGIB-MEDUHNTESA-N -1 3 348.380 2.536 20 5 EFBDHM Cc1ccc(CC(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)cc1 ZINC000354132799 476450151 /nfs/dbraw/zinc/45/01/51/476450151.db2.gz VVZQEEDVOQKJPC-UHFFFAOYSA-N -1 3 336.351 2.896 20 5 EFBDHM CC[C@@H](C)C[C@H](C)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000360886560 476454793 /nfs/dbraw/zinc/45/47/93/476454793.db2.gz RGJLZUDBQUHJOL-MNOVXSKESA-N -1 3 330.406 2.706 20 5 EFBDHM Cc1cccc2c(=O)c(C(=O)NCc3ccc([N+](=O)[O-])cc3)c[n-]c12 ZINC000357702329 476547787 /nfs/dbraw/zinc/54/77/87/476547787.db2.gz INXXYHAYQWNJON-UHFFFAOYSA-N -1 3 337.335 2.675 20 5 EFBDHM Cn1cnc([N+](=O)[O-])c1Sc1n[n-]c(-c2cc(F)cc(F)c2)n1 ZINC000361120386 476614672 /nfs/dbraw/zinc/61/46/72/476614672.db2.gz BFPFWZUQSSDOON-UHFFFAOYSA-N -1 3 338.299 2.543 20 5 EFBDHM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000354507686 476694826 /nfs/dbraw/zinc/69/48/26/476694826.db2.gz IHHHANPEYRKTMO-GBIKHYSHSA-N -1 3 330.381 2.837 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000354510539 476698401 /nfs/dbraw/zinc/69/84/01/476698401.db2.gz NWQCOGAHDXTDEB-NQBHXWOUSA-N -1 3 342.417 2.706 20 5 EFBDHM Cc1cc(C)c(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cn1 ZINC000452041574 476790558 /nfs/dbraw/zinc/79/05/58/476790558.db2.gz MECYKMJLMXPOTL-UHFFFAOYSA-N -1 3 349.412 2.702 20 5 EFBDHM O=C(CCc1cccc([N+](=O)[O-])c1)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000446757026 476916097 /nfs/dbraw/zinc/91/60/97/476916097.db2.gz POGYGYOMRWCHQS-UHFFFAOYSA-N -1 3 336.351 2.978 20 5 EFBDHM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000416377640 477151580 /nfs/dbraw/zinc/15/15/80/477151580.db2.gz XPYLGGXFNUSKLY-ZETCQYMHSA-N -1 3 338.307 2.690 20 5 EFBDHM CCC1([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000416496325 477186875 /nfs/dbraw/zinc/18/68/75/477186875.db2.gz OVKWZRRKVLMWRZ-UHFFFAOYSA-N -1 3 338.307 2.835 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-][C@H](C)CC(C)(C)C)c([N+](=O)[O-])c1 ZINC000416506039 477193883 /nfs/dbraw/zinc/19/38/83/477193883.db2.gz HBZIYBCXKDEIPF-SNVBAGLBSA-N -1 3 330.406 2.706 20 5 EFBDHM CCC(C)(C)OCC[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000416521834 477199256 /nfs/dbraw/zinc/19/92/56/477199256.db2.gz DCQIAEPGKIFFKZ-UHFFFAOYSA-N -1 3 344.433 2.695 20 5 EFBDHM CCC(C)(C)OCC[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000416524330 477200295 /nfs/dbraw/zinc/20/02/95/477200295.db2.gz LKBCVGWHFFZXKO-UHFFFAOYSA-N -1 3 344.433 2.695 20 5 EFBDHM Cc1cc(S(=O)(=O)[N-]C[C@H](C)CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000416606394 477236722 /nfs/dbraw/zinc/23/67/22/477236722.db2.gz NQTLZZSAIOMRPD-MRVPVSSYSA-N -1 3 340.323 2.770 20 5 EFBDHM COc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c([O-])c1 ZINC000435831094 477378391 /nfs/dbraw/zinc/37/83/91/477378391.db2.gz MUVHEFGIODMYAK-UHFFFAOYSA-N -1 3 332.312 2.635 20 5 EFBDHM CC[C@H](C)N[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccco1 ZINC000436714452 477569175 /nfs/dbraw/zinc/56/91/75/477569175.db2.gz METIZLFDHGICFE-AAEUAGOBSA-N -1 3 347.371 2.753 20 5 EFBDHM COc1cc(-c2noc(CNc3ccccc3[N+](=O)[O-])n2)ccc1[O-] ZINC000436782135 477589136 /nfs/dbraw/zinc/58/91/36/477589136.db2.gz BJKIBWGGJFZSDD-UHFFFAOYSA-N -1 3 342.311 2.971 20 5 EFBDHM COC(=O)c1cccc(NC(=O)c2cc(C)ccc2[N+](=O)[O-])c1[O-] ZINC000436802299 477594630 /nfs/dbraw/zinc/59/46/30/477594630.db2.gz BLURAVWASPCKBV-UHFFFAOYSA-N -1 3 330.296 2.648 20 5 EFBDHM CCCCN1CCCC[C@H]1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436957447 477646644 /nfs/dbraw/zinc/64/66/44/477646644.db2.gz UULRBDHZGWCEPO-AWEZNQCLSA-N -1 3 335.404 2.685 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C2CCC2)cc1[N+](=O)[O-] ZINC000425195261 477666461 /nfs/dbraw/zinc/66/64/61/477666461.db2.gz QGDKCBGTRUMOOL-QWRGUYRKSA-N -1 3 330.431 2.679 20 5 EFBDHM CC(C)c1ccc(CN[C@H](CN2CCCCC2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000426762060 477747977 /nfs/dbraw/zinc/74/79/77/477747977.db2.gz GYMFXOMGBLECDJ-MRXNPFEDSA-N -1 3 349.431 2.747 20 5 EFBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1conc1C1CC1 ZINC000438921279 477904190 /nfs/dbraw/zinc/90/41/90/477904190.db2.gz UFVRFBKGLXOYLX-UHFFFAOYSA-N -1 3 339.311 2.525 20 5 EFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C)c2cncs2)c1[N+](=O)[O-] ZINC000439202350 477942897 /nfs/dbraw/zinc/94/28/97/477942897.db2.gz FJEYAODRSUJBJQ-JTQLQIEISA-N -1 3 341.414 2.708 20 5 EFBDHM C[C@H](NC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)C(C)(F)F ZINC000459615773 478012365 /nfs/dbraw/zinc/01/23/65/478012365.db2.gz ZDAWVFMJKBXPTE-QMMMGPOBSA-N -1 3 339.302 2.572 20 5 EFBDHM COc1ccc(C(=O)Nc2cccc(C(C)=O)c2[O-])cc1[N+](=O)[O-] ZINC000560552198 478109076 /nfs/dbraw/zinc/10/90/76/478109076.db2.gz LCKZFGQJVNLAPO-UHFFFAOYSA-N -1 3 330.296 2.764 20 5 EFBDHM COc1cc(C(=O)Nc2cccc([O-])c2F)c([N+](=O)[O-])cc1OC ZINC000534210318 478130140 /nfs/dbraw/zinc/13/01/40/478130140.db2.gz HOTFEZCHFNFGCK-UHFFFAOYSA-N -1 3 336.275 2.709 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCCC2(F)F)c1C ZINC000451819869 478215610 /nfs/dbraw/zinc/21/56/10/478215610.db2.gz BXSILPHJMMQEDC-NSHDSACASA-N -1 3 348.371 2.925 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC000451819873 478215973 /nfs/dbraw/zinc/21/59/73/478215973.db2.gz BXZRNDWJAVADEH-QMMMGPOBSA-N -1 3 340.373 2.678 20 5 EFBDHM O=C([O-])c1cc(NCCN2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000519560346 478233601 /nfs/dbraw/zinc/23/36/01/478233601.db2.gz MARPCBROPXCQMK-UHFFFAOYSA-N -1 3 341.367 2.763 20 5 EFBDHM O=C(Cc1cncc([O-])c1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000597295737 478277775 /nfs/dbraw/zinc/27/77/75/478277775.db2.gz FUBQBPVJKPWSIG-MRXNPFEDSA-N -1 3 345.380 2.512 20 5 EFBDHM COc1cc(CN[C@H]2COc3cc(F)ccc3C2)c([N+](=O)[O-])cc1[O-] ZINC000520610931 478331440 /nfs/dbraw/zinc/33/14/40/478331440.db2.gz COYMOIPLKXANSY-CYBMUJFWSA-N -1 3 348.330 2.541 20 5 EFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C)Cc2ccccn2)c1[N+](=O)[O-] ZINC000594479923 478405131 /nfs/dbraw/zinc/40/51/31/478405131.db2.gz JECREAVXUVZRFA-CYBMUJFWSA-N -1 3 349.412 2.516 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000597665154 478454285 /nfs/dbraw/zinc/45/42/85/478454285.db2.gz FNSMBAFPCUTJGA-UHFFFAOYSA-N -1 3 328.328 2.837 20 5 EFBDHM Cc1ccc([C@H](CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])N(C)C)cc1 ZINC000581887665 478458945 /nfs/dbraw/zinc/45/89/45/478458945.db2.gz ZEQOILVIRKAXEW-AWEZNQCLSA-N -1 3 344.371 2.711 20 5 EFBDHM C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594754930 478531576 /nfs/dbraw/zinc/53/15/76/478531576.db2.gz PUQVKMDXAQXSDM-JQWIXIFHSA-N -1 3 335.385 2.610 20 5 EFBDHM CS[C@H](C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(C)(C)C ZINC000541310154 478547919 /nfs/dbraw/zinc/54/79/19/478547919.db2.gz XFTZGVWBHHLACX-GFCCVEGCSA-N -1 3 346.474 2.959 20 5 EFBDHM COc1cc(CNC[C@H](OC)C2CCCCC2)c([N+](=O)[O-])cc1[O-] ZINC000594998694 478624309 /nfs/dbraw/zinc/62/43/09/478624309.db2.gz ZFGKIRGVZZRJAP-KRWDZBQOSA-N -1 3 338.404 2.994 20 5 EFBDHM COc1c(F)cc(S(=O)(=O)[N-]C2(CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000595370158 478751624 /nfs/dbraw/zinc/75/16/24/478751624.db2.gz WWGGXOVNGSJKFT-UHFFFAOYSA-N -1 3 346.380 2.600 20 5 EFBDHM O=C([O-])c1ccccc1CCN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000583209357 478793423 /nfs/dbraw/zinc/79/34/23/478793423.db2.gz MTGOVIBCOWVZHC-UHFFFAOYSA-N -1 3 326.352 2.894 20 5 EFBDHM Cc1cc(C)c(S(=O)(=O)N(C)c2cccc([O-])c2)cc1[N+](=O)[O-] ZINC000583417242 478845839 /nfs/dbraw/zinc/84/58/39/478845839.db2.gz XZMRDOXVZNTEKO-UHFFFAOYSA-N -1 3 336.369 2.742 20 5 EFBDHM CNc1nccc(C(=O)Nc2cccc(C(C)(C)C)c2[O-])c1[N+](=O)[O-] ZINC000572495731 478851855 /nfs/dbraw/zinc/85/18/55/478851855.db2.gz YXINELLJKFIULA-UHFFFAOYSA-N -1 3 344.371 2.709 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCC[C@H](F)C2)cc1C ZINC000564908891 478857160 /nfs/dbraw/zinc/85/71/60/478857160.db2.gz VJMXKLCOURTFTP-NWDGAFQWSA-N -1 3 330.381 2.771 20 5 EFBDHM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(CC)co2)cc1OC ZINC000514947274 479094932 /nfs/dbraw/zinc/09/49/32/479094932.db2.gz TXANCCOJTHENGQ-UHFFFAOYSA-N -1 3 335.316 2.805 20 5 EFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H](C)CCC2CC2)cc1[N+](=O)[O-] ZINC000493664264 479105327 /nfs/dbraw/zinc/10/53/27/479105327.db2.gz YGCWHDLHOZZRSQ-VIFPVBQESA-N -1 3 346.380 2.600 20 5 EFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H](C)CCC2CC2)cc1[N+](=O)[O-] ZINC000493664263 479105597 /nfs/dbraw/zinc/10/55/97/479105597.db2.gz YGCWHDLHOZZRSQ-SECBINFHSA-N -1 3 346.380 2.600 20 5 EFBDHM O=c1[n-]ccc(N2CCN(Cc3cccc(Cl)c3)CC2)c1[N+](=O)[O-] ZINC000596057157 479111096 /nfs/dbraw/zinc/11/10/96/479111096.db2.gz INCNKJUFDBEIGZ-UHFFFAOYSA-N -1 3 348.790 2.671 20 5 EFBDHM C[C@H]1CCC[C@H](C)N1CCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000592972151 479111799 /nfs/dbraw/zinc/11/17/99/479111799.db2.gz TVNYQJVRSZFSKF-STQMWFEESA-N -1 3 335.404 2.897 20 5 EFBDHM C[C@H](CCc1ccc2c(c1)OCO2)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596095530 479135221 /nfs/dbraw/zinc/13/52/21/479135221.db2.gz QVSWMWTWVYZKFW-SNVBAGLBSA-N -1 3 331.328 2.857 20 5 EFBDHM O=C(c1ccc(Oc2cc[n-]c(=O)c2[N+](=O)[O-])cc1)N1CCCC1 ZINC000596112218 479144543 /nfs/dbraw/zinc/14/45/43/479144543.db2.gz JSPZAZRCKMYLHE-UHFFFAOYSA-N -1 3 329.312 2.724 20 5 EFBDHM O=c1[n-]ccc(N[C@@H]2CCN(c3ccc(F)cc3F)C2)c1[N+](=O)[O-] ZINC000596123224 479151380 /nfs/dbraw/zinc/15/13/80/479151380.db2.gz LTIHPTFYDAAZBQ-SNVBAGLBSA-N -1 3 336.298 2.664 20 5 EFBDHM CN(C)[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1c(F)cccc1F ZINC000596129999 479154541 /nfs/dbraw/zinc/15/45/41/479154541.db2.gz UDHVOXLNPXZSHM-LBPRGKRZSA-N -1 3 338.314 2.688 20 5 EFBDHM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCN(C3CCCCC3)CC2)c1 ZINC000515387026 479159432 /nfs/dbraw/zinc/15/94/32/479159432.db2.gz XAADDLCHUJOBGP-UHFFFAOYSA-N -1 3 333.388 2.748 20 5 EFBDHM O=c1[n-]ccc(N2CC[C@H](OCCCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596159112 479171526 /nfs/dbraw/zinc/17/15/26/479171526.db2.gz LFKTVICPUFCDRA-HNNXBMFYSA-N -1 3 343.383 2.924 20 5 EFBDHM COCCCOc1cccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC000596174401 479179818 /nfs/dbraw/zinc/17/98/18/479179818.db2.gz HDEWVWUMQKUKAA-UHFFFAOYSA-N -1 3 333.344 2.723 20 5 EFBDHM O=c1[n-]ccc(N2CCO[C@@H](c3ccc(F)cc3F)C2)c1[N+](=O)[O-] ZINC000596201495 479196177 /nfs/dbraw/zinc/19/61/77/479196177.db2.gz YPZKXQWGMDCDKM-CYBMUJFWSA-N -1 3 337.282 2.552 20 5 EFBDHM C[C@H](O)[C@@](C)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])Cc1ccccc1 ZINC000596205637 479198069 /nfs/dbraw/zinc/19/80/69/479198069.db2.gz BZJJGMFEONSKKF-YVEFUNNKSA-N -1 3 331.372 2.737 20 5 EFBDHM C[C@H](c1ccsc1)N1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596218250 479205501 /nfs/dbraw/zinc/20/55/01/479205501.db2.gz IKGRYNXAIQVRRI-LLVKDONJSA-N -1 3 334.401 2.640 20 5 EFBDHM O=c1[n-]ccc(NC[C@H](OC2CCCC2)C(F)(F)F)c1[N+](=O)[O-] ZINC000596415012 479286344 /nfs/dbraw/zinc/28/63/44/479286344.db2.gz GIKOOJPLKGAUQG-JTQLQIEISA-N -1 3 335.282 2.997 20 5 EFBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000611287302 479338325 /nfs/dbraw/zinc/33/83/25/479338325.db2.gz KQGQXHVFKDWONE-SUMWQHHRSA-N -1 3 331.416 2.749 20 5 EFBDHM CCCn1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000603321596 479345896 /nfs/dbraw/zinc/34/58/96/479345896.db2.gz USCAOGQTELRKPC-UHFFFAOYSA-N -1 3 343.430 2.655 20 5 EFBDHM Cc1nc2c(c(=O)[n-]1)CN(c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C2 ZINC000603416121 479379108 /nfs/dbraw/zinc/37/91/08/479379108.db2.gz KOCAUQLKZWQFAW-UHFFFAOYSA-N -1 3 340.261 2.938 20 5 EFBDHM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])C(C[C@H]1CCCO1)C(F)(F)F ZINC000593553785 479386436 /nfs/dbraw/zinc/38/64/36/479386436.db2.gz PMLKZZYYAJKUDS-ZJUUUORDSA-N -1 3 348.277 2.987 20 5 EFBDHM Cn1ncc([N+](=O)[O-])c1C(=O)[N-]c1csc(-c2ccccc2)n1 ZINC000588079682 479390471 /nfs/dbraw/zinc/39/04/71/479390471.db2.gz XHMLXXWYQMEKLH-UHFFFAOYSA-N -1 3 329.341 2.704 20 5 EFBDHM COC(=O)c1ccc([N-]C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])s1 ZINC000596713757 479399823 /nfs/dbraw/zinc/39/98/23/479399823.db2.gz LBLVTOVHLIJZIJ-UHFFFAOYSA-N -1 3 338.345 2.542 20 5 EFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C1CC2(CCC2)C1 ZINC000593664686 479416886 /nfs/dbraw/zinc/41/68/86/479416886.db2.gz ULRHWJNOWTYCIJ-UHFFFAOYSA-N -1 3 330.793 2.859 20 5 EFBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[C@]3(CCCOC3)C2)c1 ZINC000593738179 479440106 /nfs/dbraw/zinc/44/01/06/479440106.db2.gz OQPCOHUAAFNUHK-KRWDZBQOSA-N -1 3 334.372 2.686 20 5 EFBDHM CCOc1cc([N-]C(=O)c2coc(C)n2)c([N+](=O)[O-])cc1OCC ZINC000588834181 479446006 /nfs/dbraw/zinc/44/60/06/479446006.db2.gz OMNAWQOEYULODJ-UHFFFAOYSA-N -1 3 335.316 2.941 20 5 EFBDHM O=C([O-])c1cccc2c1CN(CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC000593752546 479447631 /nfs/dbraw/zinc/44/76/31/479447631.db2.gz OGPJBCBVYMYOLT-UHFFFAOYSA-N -1 3 342.351 2.730 20 5 EFBDHM C[C@@]1(C(=O)[O-])CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000593754299 479449118 /nfs/dbraw/zinc/44/91/18/479449118.db2.gz VGBAWYRBJWXKKG-MRXNPFEDSA-N -1 3 331.328 2.546 20 5 EFBDHM O=C(CCNc1ccccc1[N+](=O)[O-])Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000590557495 479659019 /nfs/dbraw/zinc/65/90/19/479659019.db2.gz BQZNILQBOYYGHZ-UHFFFAOYSA-N -1 3 341.327 2.617 20 5 EFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C1(C)CCC(C)CC1 ZINC000619480602 479808049 /nfs/dbraw/zinc/80/80/49/479808049.db2.gz BHRVUCVECDRFPY-UHFFFAOYSA-N -1 3 342.417 2.851 20 5 EFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CCCCC1(C)C ZINC000619490988 479810878 /nfs/dbraw/zinc/81/08/78/479810878.db2.gz YFXSURZGSULEMA-CYBMUJFWSA-N -1 3 342.417 2.851 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@@H]1CCc2ccccc2C1 ZINC000609767443 480203153 /nfs/dbraw/zinc/20/31/53/480203153.db2.gz GRXQLGRKLZAMQB-CYBMUJFWSA-N -1 3 346.408 2.678 20 5 EFBDHM Cc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000154036189 533869239 /nfs/dbraw/zinc/86/92/39/533869239.db2.gz NSVNFGMXKBRQHF-UHFFFAOYSA-N -1 3 349.412 2.766 20 5 EFBDHM CC(C)CCn1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)n1 ZINC000121705050 519703631 /nfs/dbraw/zinc/70/36/31/519703631.db2.gz ZTZPKGJXXOWYOP-UHFFFAOYSA-N -1 3 342.359 2.966 20 5 EFBDHM Cc1csc(C(C)(C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000185807333 534793014 /nfs/dbraw/zinc/79/30/14/534793014.db2.gz WYMSYMCMJABVGZ-UHFFFAOYSA-N -1 3 341.414 2.573 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)c2cccnc2)cc1C ZINC000193806872 525557424 /nfs/dbraw/zinc/55/74/24/525557424.db2.gz SUVSHWLOQLZNOX-LBPRGKRZSA-N -1 3 335.385 2.646 20 5 EFBDHM CS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000117375280 525837416 /nfs/dbraw/zinc/83/74/16/525837416.db2.gz BOOYUAGYJQEFLV-GXSJLCMTSA-N -1 3 348.421 2.686 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCc2cccs2)c1C ZINC000119367870 526067718 /nfs/dbraw/zinc/06/77/18/526067718.db2.gz YIMXWTPQPABGGY-UHFFFAOYSA-N -1 3 340.426 2.794 20 5 EFBDHM O=[N+]([O-])c1ccc(OCCSc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000117116155 527373014 /nfs/dbraw/zinc/37/30/14/527373014.db2.gz QDSVPYJJTPELMX-UHFFFAOYSA-N -1 3 343.368 2.946 20 5 EFBDHM O=C(Nc1nc(-c2cccs2)ns1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000182119956 527503450 /nfs/dbraw/zinc/50/34/50/527503450.db2.gz OCELRTIVXUQHAV-UHFFFAOYSA-N -1 3 349.353 2.528 20 5 EFBDHM CCCC(C)(C)[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000186815203 527990692 /nfs/dbraw/zinc/99/06/92/527990692.db2.gz UWUCJWZUKQSJCY-UHFFFAOYSA-N -1 3 334.369 2.600 20 5 EFBDHM CC(C)[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000177023630 528463956 /nfs/dbraw/zinc/46/39/56/528463956.db2.gz MJCVYGDKNWEYBB-CQSZACIVSA-N -1 3 349.412 2.708 20 5 EFBDHM CCc1cnccc1[C@H](C)[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000358579380 536106084 /nfs/dbraw/zinc/10/60/84/536106084.db2.gz AIGRBIOQUMAIIS-LBPRGKRZSA-N -1 3 349.412 2.900 20 5 EFBDHM CNc1ccccc1C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000342265752 536421121 /nfs/dbraw/zinc/42/11/21/536421121.db2.gz OIZHMQLSXRKCMV-UHFFFAOYSA-N -1 3 337.339 2.701 20 5 EFBDHM COC(=O)c1ccc(F)c([N-]C(=O)c2cccc(OC)c2[N+](=O)[O-])c1 ZINC000435670377 536719966 /nfs/dbraw/zinc/71/99/66/536719966.db2.gz SUWAUIXFAFYVHJ-UHFFFAOYSA-N -1 3 348.286 2.781 20 5 EFBDHM COc1ccc(-c2ccc(CN3CC[C@H](C(=O)[O-])C3)o2)c([N+](=O)[O-])c1 ZINC000414681375 536895880 /nfs/dbraw/zinc/89/58/80/536895880.db2.gz LYSPHOZGBUUTMK-NSHDSACASA-N -1 3 346.339 2.770 20 5 EFBDHM O=C(NCCCc1cc(=O)[nH][n-]1)c1cc2ccccc2c2cccnc12 ZINC000673545621 547914467 /nfs/dbraw/zinc/91/44/67/547914467.db2.gz DDFXSVMXBCXUPD-UHFFFAOYSA-N -1 3 346.390 2.774 20 5 EFBDHM CC(C)(CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC000756306079 575714289 /nfs/dbraw/zinc/71/42/89/575714289.db2.gz HEXJNQLRNFNLGK-UHFFFAOYSA-N -1 3 335.385 2.919 20 5 EFBDHM O=[N+]([O-])c1cc(NC([O-])=NOCC(F)F)ccc1Br ZINC000759996138 575969860 /nfs/dbraw/zinc/96/98/60/575969860.db2.gz UQEPGPCYCYMXBP-UHFFFAOYSA-N -1 3 340.080 2.676 20 5 EFBDHM O=C([N-]OCC(F)F)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000759996138 575969861 /nfs/dbraw/zinc/96/98/61/575969861.db2.gz UQEPGPCYCYMXBP-UHFFFAOYSA-N -1 3 340.080 2.676 20 5 EFBDHM O=[N+]([O-])c1ccc(OC(F)F)c(NC([O-])=NO[C@@H]2CCCCO2)c1 ZINC000763264984 576370141 /nfs/dbraw/zinc/37/01/41/576370141.db2.gz BMYUWSBNDCLZFU-LLVKDONJSA-N -1 3 347.274 2.776 20 5 EFBDHM O=C([N-]O[C@@H]1CCCCO1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000763264984 576370142 /nfs/dbraw/zinc/37/01/42/576370142.db2.gz BMYUWSBNDCLZFU-LLVKDONJSA-N -1 3 347.274 2.776 20 5 EFBDHM Cc1cc([N-]C(=O)[C@@H](C)OC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)on1 ZINC000763404418 576375994 /nfs/dbraw/zinc/37/59/94/576375994.db2.gz RFTBKGXWFGFWQI-WDEREUQCSA-N -1 3 347.327 2.565 20 5 EFBDHM O=Cc1n[n-]c2cc(C(=O)OCc3c(F)cccc3[N+](=O)[O-])ccc12 ZINC000766182992 577118097 /nfs/dbraw/zinc/11/80/97/577118097.db2.gz AVYBEGCCCIGUSK-UHFFFAOYSA-N -1 3 343.270 2.780 20 5 EFBDHM O=Cc1[n-]nc2cc(C(=O)OCc3c(F)cccc3[N+](=O)[O-])ccc12 ZINC000766182992 577118099 /nfs/dbraw/zinc/11/80/99/577118099.db2.gz AVYBEGCCCIGUSK-UHFFFAOYSA-N -1 3 343.270 2.780 20 5 EFBDHM O=C([N-]OCC(F)(F)F)c1ccc([N+](=O)[O-])cc1Br ZINC000766770828 577181537 /nfs/dbraw/zinc/18/15/37/577181537.db2.gz DXNFUJMLBUIIKN-UHFFFAOYSA-N -1 3 343.055 2.581 20 5 EFBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2CCc3ccc(F)cc32)cs1 ZINC000768836925 577307756 /nfs/dbraw/zinc/30/77/56/577307756.db2.gz LTZRZKAIPMSDKY-LBPRGKRZSA-N -1 3 342.373 2.761 20 5 EFBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2C[C@@H]2C2CCCCC2)cs1 ZINC000768841921 577308253 /nfs/dbraw/zinc/30/82/53/577308253.db2.gz JXQBSYFHLOZOPP-NEPJUHHUSA-N -1 3 330.431 2.903 20 5 EFBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2CC[C@H]3CCC[C@H]3C2)cs1 ZINC000768844804 577308798 /nfs/dbraw/zinc/30/87/98/577308798.db2.gz VSXYEUGBHWYFAO-OUAUKWLOSA-N -1 3 330.431 2.903 20 5 EFBDHM Cc1cc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc2[nH]ncc21 ZINC000768886906 577314228 /nfs/dbraw/zinc/31/42/28/577314228.db2.gz FDWRWTKPHZLACF-UHFFFAOYSA-N -1 3 338.370 2.642 20 5 EFBDHM Cc1sc(C(N)=O)cc1[N-]C(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000769275576 577348604 /nfs/dbraw/zinc/34/86/04/577348604.db2.gz SXKJKJNZWFZDKY-UHFFFAOYSA-N -1 3 337.332 2.763 20 5 EFBDHM CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1csc(=O)[n-]1 ZINC000771607927 581226576 /nfs/dbraw/zinc/22/65/76/581226576.db2.gz AAAXFMFATLSLOZ-UHFFFAOYSA-N -1 3 327.749 2.683 20 5 EFBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1c([O-])cccc1F ZINC000772594892 581344875 /nfs/dbraw/zinc/34/48/75/581344875.db2.gz DQVMKRIIHVKIOH-UHFFFAOYSA-N -1 3 348.286 2.543 20 5 EFBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C2(Cc3ccccc3)CC2)cs1 ZINC000772990916 581386150 /nfs/dbraw/zinc/38/61/50/581386150.db2.gz KHEWHIODGZNXGL-UHFFFAOYSA-N -1 3 338.410 2.710 20 5 EFBDHM CC(C)C[C@H]1OCCC[C@H]1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000774894329 581503352 /nfs/dbraw/zinc/50/33/52/581503352.db2.gz LFNILAGYQTVORH-VXGBXAGGSA-N -1 3 348.446 2.528 20 5 EFBDHM Cc1noc(C)c1[C@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737536245 598870607 /nfs/dbraw/zinc/87/06/07/598870607.db2.gz GAQUOFRAJFTMSP-ZETCQYMHSA-N -1 3 329.320 2.553 20 5 EFBDHM Cc1noc(C)c1[C@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737536245 598870608 /nfs/dbraw/zinc/87/06/08/598870608.db2.gz GAQUOFRAJFTMSP-ZETCQYMHSA-N -1 3 329.320 2.553 20 5 EFBDHM Cc1cccc([C@@H](C)CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000737388157 599047409 /nfs/dbraw/zinc/04/74/09/599047409.db2.gz LDIKBOPONVERKP-NSHDSACASA-N -1 3 339.359 2.694 20 5 EFBDHM Cc1cccc([C@@H](C)CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000737388157 599047411 /nfs/dbraw/zinc/04/74/11/599047411.db2.gz LDIKBOPONVERKP-NSHDSACASA-N -1 3 339.359 2.694 20 5 EFBDHM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@H]1c1ccccc1 ZINC000820776719 599095340 /nfs/dbraw/zinc/09/53/40/599095340.db2.gz NAQQGGUEOWYAIA-BDJLRTHQSA-N -1 3 336.355 2.972 20 5 EFBDHM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@H]1c1ccccc1 ZINC000820776719 599095342 /nfs/dbraw/zinc/09/53/42/599095342.db2.gz NAQQGGUEOWYAIA-BDJLRTHQSA-N -1 3 336.355 2.972 20 5 EFBDHM O=[N+]([O-])c1ccc(NCCc2cc3ccccc3[nH]2)c(-c2nnn[n-]2)c1 ZINC000823640257 607330791 /nfs/dbraw/zinc/33/07/91/607330791.db2.gz ZBAQOZVVAIFAPR-UHFFFAOYSA-N -1 3 349.354 2.911 20 5 EFBDHM O=[N+]([O-])c1ccc(NCCc2cc3ccccc3[nH]2)c(-c2nn[n-]n2)c1 ZINC000823640257 607330792 /nfs/dbraw/zinc/33/07/92/607330792.db2.gz ZBAQOZVVAIFAPR-UHFFFAOYSA-N -1 3 349.354 2.911 20 5 EFBDHM CC[C@H](C)[C@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)[O-] ZINC000820465696 598187409 /nfs/dbraw/zinc/18/74/09/598187409.db2.gz QTZUBCRMKLKQEZ-HZMBPMFUSA-N -1 3 333.344 2.839 20 5 EFBDHM O=[N+]([O-])c1cc(NCCc2cccc(F)c2)ccc1-c1nnn[n-]1 ZINC000823634775 607345415 /nfs/dbraw/zinc/34/54/15/607345415.db2.gz LWBGLFHHKBNMSZ-UHFFFAOYSA-N -1 3 328.307 2.569 20 5 EFBDHM O=[N+]([O-])c1cc(F)ccc1OCc1ccc(-c2nnn[n-]2)cc1F ZINC000738360301 598364266 /nfs/dbraw/zinc/36/42/66/598364266.db2.gz OHTZQNCHNVDTOS-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1cc(F)ccc1OCc1ccc(-c2nn[n-]n2)cc1F ZINC000738360301 598364268 /nfs/dbraw/zinc/36/42/68/598364268.db2.gz OHTZQNCHNVDTOS-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1cnc(Nc2ccc3ncsc3c2)c(-c2nnn[n-]2)c1 ZINC000738373325 598500113 /nfs/dbraw/zinc/50/01/13/598500113.db2.gz AFXXVCVIBIMZPR-UHFFFAOYSA-N -1 3 340.328 2.523 20 5 EFBDHM O=[N+]([O-])c1cnc(Nc2ccc3ncsc3c2)c(-c2nn[n-]n2)c1 ZINC000738373325 598500115 /nfs/dbraw/zinc/50/01/15/598500115.db2.gz AFXXVCVIBIMZPR-UHFFFAOYSA-N -1 3 340.328 2.523 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Nc1ccn(-c2ccccc2)n1 ZINC000738358126 598507204 /nfs/dbraw/zinc/50/72/04/598507204.db2.gz LHNQIUOASSJRTK-UHFFFAOYSA-N -1 3 348.326 2.704 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Oc1cccc(-n2cccn2)c1 ZINC000738359392 599527381 /nfs/dbraw/zinc/52/73/81/599527381.db2.gz QRBNNUYGLQRCFU-UHFFFAOYSA-N -1 3 349.310 2.753 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Oc1cccc(-n2cccn2)c1 ZINC000738359392 599527383 /nfs/dbraw/zinc/52/73/83/599527383.db2.gz QRBNNUYGLQRCFU-UHFFFAOYSA-N -1 3 349.310 2.753 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CCC3(CCCC3)CC2)c(-c2nnn[n-]2)c1 ZINC000738371591 599538519 /nfs/dbraw/zinc/53/85/19/599538519.db2.gz SZIRYRYJWJXCGF-UHFFFAOYSA-N -1 3 328.376 2.936 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CCC3(CCCC3)CC2)c(-c2nn[n-]n2)c1 ZINC000738371591 599538520 /nfs/dbraw/zinc/53/85/20/599538520.db2.gz SZIRYRYJWJXCGF-UHFFFAOYSA-N -1 3 328.376 2.936 20 5 EFBDHM O=[N+]([O-])c1cc(F)c(NCc2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC000826498239 607465993 /nfs/dbraw/zinc/46/59/93/607465993.db2.gz MMOWSLOVFWUQNR-UHFFFAOYSA-N -1 3 332.270 2.665 20 5 EFBDHM O=[N+]([O-])c1cc(F)c(NCc2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000826498239 607465994 /nfs/dbraw/zinc/46/59/94/607465994.db2.gz MMOWSLOVFWUQNR-UHFFFAOYSA-N -1 3 332.270 2.665 20 5 EFBDHM O=[N+]([O-])c1ccc(Sc2nnc(C3CC3)s2)c(-c2nnn[n-]2)c1 ZINC000823644273 606046262 /nfs/dbraw/zinc/04/62/62/606046262.db2.gz JDEPYDKNZOMHGF-UHFFFAOYSA-N -1 3 347.385 2.655 20 5 EFBDHM O=[N+]([O-])c1ccc(Sc2nnc(C3CC3)s2)c(-c2nn[n-]n2)c1 ZINC000823644273 606046267 /nfs/dbraw/zinc/04/62/67/606046267.db2.gz JDEPYDKNZOMHGF-UHFFFAOYSA-N -1 3 347.385 2.655 20 5 EFBDHM O=[N+]([O-])c1ccc(NCC2(CCO)CCCCC2)c(-c2nnn[n-]2)c1 ZINC000823639814 606610232 /nfs/dbraw/zinc/61/02/32/606610232.db2.gz HTSZTOWCLQYOOY-UHFFFAOYSA-N -1 3 346.391 2.520 20 5 EFBDHM O=[N+]([O-])c1ccc(NCC2(CCO)CCCCC2)c(-c2nn[n-]n2)c1 ZINC000823639814 606610235 /nfs/dbraw/zinc/61/02/35/606610235.db2.gz HTSZTOWCLQYOOY-UHFFFAOYSA-N -1 3 346.391 2.520 20 5 EFBDHM Cc1cccc(OCCNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)c1 ZINC000822327217 606644871 /nfs/dbraw/zinc/64/48/71/606644871.db2.gz DCKDJGFJWRXKQA-UHFFFAOYSA-N -1 3 340.343 2.574 20 5 EFBDHM COCc1ccc(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)cc1 ZINC000821695022 606644911 /nfs/dbraw/zinc/64/49/11/606644911.db2.gz FIYUEVGFBWSSDH-UHFFFAOYSA-N -1 3 340.343 2.533 20 5 EFBDHM Cc1ccc2c(c1)[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)CO2 ZINC000822274560 606878567 /nfs/dbraw/zinc/87/85/67/606878567.db2.gz BDFXWBVBAMPQBE-AWEZNQCLSA-N -1 3 338.327 2.629 20 5 EFBDHM Cc1ccc2c(c1)[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)CO2 ZINC000822274560 606878569 /nfs/dbraw/zinc/87/85/69/606878569.db2.gz BDFXWBVBAMPQBE-AWEZNQCLSA-N -1 3 338.327 2.629 20 5 EFBDHM Cc1c(OCc2ccc(F)c(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC000822129786 607008583 /nfs/dbraw/zinc/00/85/83/607008583.db2.gz ONNRDCWMCTWLRC-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1c(OCc2ccc(F)c(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC000822129786 607008586 /nfs/dbraw/zinc/00/85/86/607008586.db2.gz ONNRDCWMCTWLRC-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000821728724 607027937 /nfs/dbraw/zinc/02/79/37/607027937.db2.gz YTSXFFKNDQCSSR-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000821728724 607027939 /nfs/dbraw/zinc/02/79/39/607027939.db2.gz YTSXFFKNDQCSSR-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM Cc1ccc(-c2nnn[n-]2)cc1OCc1c(F)cccc1[N+](=O)[O-] ZINC000822221496 607030378 /nfs/dbraw/zinc/03/03/78/607030378.db2.gz QXCALBYYBKCIBE-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1ccc(-c2nn[n-]n2)cc1OCc1c(F)cccc1[N+](=O)[O-] ZINC000822221496 607030380 /nfs/dbraw/zinc/03/03/80/607030380.db2.gz QXCALBYYBKCIBE-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1ccc(OCc2ccc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000826292259 607863706 /nfs/dbraw/zinc/86/37/06/607863706.db2.gz NNBUAOAQGSAGBR-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1ccc(OCc2ccc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC000826292259 607863707 /nfs/dbraw/zinc/86/37/07/607863707.db2.gz NNBUAOAQGSAGBR-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM C[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824627518 609150676 /nfs/dbraw/zinc/15/06/76/609150676.db2.gz YCMZZIUBDFICDN-SNVBAGLBSA-N -1 3 342.334 2.765 20 5 EFBDHM C[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824627518 609150678 /nfs/dbraw/zinc/15/06/78/609150678.db2.gz YCMZZIUBDFICDN-SNVBAGLBSA-N -1 3 342.334 2.765 20 5 EFBDHM Cc1cc(COC(=O)c2cc(-c3nnn[n-]3)cs2)ccc1[N+](=O)[O-] ZINC000826267695 609284215 /nfs/dbraw/zinc/28/42/15/609284215.db2.gz QRYWVYHDJMWNDQ-UHFFFAOYSA-N -1 3 345.340 2.502 20 5 EFBDHM Cc1cc(COC(=O)c2cc(-c3nn[n-]n3)cs2)ccc1[N+](=O)[O-] ZINC000826267695 609284217 /nfs/dbraw/zinc/28/42/17/609284217.db2.gz QRYWVYHDJMWNDQ-UHFFFAOYSA-N -1 3 345.340 2.502 20 5 EFBDHM O=C(CC1=CCCCC1)NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107115896 1253466406 /nfs/dbraw/zinc/46/64/06/1253466406.db2.gz TXZZWRGYCXYUEO-SNAWJCMRSA-N -1 3 346.387 2.670 20 5 EFBDHM CCC(C)(C)CC(=O)NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107361194 1255666663 /nfs/dbraw/zinc/66/66/63/1255666663.db2.gz CDDIMVIDKPGENC-AATRIKPKSA-N -1 3 336.392 2.606 20 5 EFBDHM CCCC1(C(=O)NC/C=C\CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCC1 ZINC001107456674 1255871492 /nfs/dbraw/zinc/87/14/92/1255871492.db2.gz RZDBZQHHZCAJBE-ARJAWSKDSA-N -1 3 348.403 2.750 20 5 EFBDHM O=C([N-]c1ccon1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000755765207 1256491094 /nfs/dbraw/zinc/49/10/94/1256491094.db2.gz ZPZISLHSBFSYAP-UHFFFAOYSA-N -1 3 331.206 2.776 20 5 EFBDHM Cc1cccc(C(=O)N(C)CCCNc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001109367888 1274197227 /nfs/dbraw/zinc/19/72/27/1274197227.db2.gz PPPNXUHGUXYCQU-UHFFFAOYSA-N -1 3 344.371 2.578 20 5 EFBDHM O=C(NCC1(Nc2cccc(F)c2[N+](=O)[O-])CC1)c1ccccc1[O-] ZINC001110075890 1275095687 /nfs/dbraw/zinc/09/56/87/1275095687.db2.gz UCCREDVSZRZANK-UHFFFAOYSA-N -1 3 345.330 2.814 20 5 EFBDHM C[C@@H](OC(=O)c1cc2occc2[n-]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000786030013 1275280605 /nfs/dbraw/zinc/28/06/05/1275280605.db2.gz LGMORSWHTRIARR-SECBINFHSA-N -1 3 343.295 2.853 20 5 EFBDHM O=C(OCCn1cc([N+](=O)[O-])cn1)c1cc2sccc2c([O-])c1 ZINC000786130256 1275320428 /nfs/dbraw/zinc/32/04/28/1275320428.db2.gz CVDLXQYXOAVVPN-UHFFFAOYSA-N -1 3 333.325 2.569 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(C)cc1NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000788685151 1276258928 /nfs/dbraw/zinc/25/89/28/1276258928.db2.gz KVTWPEJIHFZGAP-ZROIWOOFSA-N -1 3 337.335 2.935 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(C)cc1NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000788684976 1276258976 /nfs/dbraw/zinc/25/89/76/1276258976.db2.gz KVTWPEJIHFZGAP-NTEUORMPSA-N -1 3 337.335 2.935 20 5 EFBDHM O=C(CC1CC1)NC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCCC1 ZINC001114134263 1279756279 /nfs/dbraw/zinc/75/62/79/1279756279.db2.gz GKFAHPAPAYNVBM-UHFFFAOYSA-N -1 3 348.403 2.727 20 5 EFBDHM CN(C(=O)C[N-]c1c([N+](=O)[O-])cccc1[N+](=O)[O-])C1CCCCC1 ZINC000804532877 1280268375 /nfs/dbraw/zinc/26/83/75/1280268375.db2.gz NMBLOXOPUQUJHL-UHFFFAOYSA-N -1 3 336.348 2.706 20 5 EFBDHM C=C/C(C)=C\CC(=O)NC[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001091388125 1280501769 /nfs/dbraw/zinc/50/17/69/1280501769.db2.gz RMGBOOXUVJZTQE-JCENTIBYSA-N -1 3 346.387 2.525 20 5 EFBDHM CC(C)=C(C)CC(=O)NC[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001091500980 1280767543 /nfs/dbraw/zinc/76/75/43/1280767543.db2.gz MGFYSQFYIZYZMX-JOCQHMNTSA-N -1 3 348.403 2.749 20 5 EFBDHM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1cccc2nonc21 ZINC000808800686 1281905478 /nfs/dbraw/zinc/90/54/78/1281905478.db2.gz KTGVDVLNPFEWRY-UHFFFAOYSA-N -1 3 328.284 2.782 20 5 EFBDHM CC(C)=CC(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCCCC1 ZINC001093372348 1283810949 /nfs/dbraw/zinc/81/09/49/1283810949.db2.gz NMWRUDLPJPCQEK-UHFFFAOYSA-N -1 3 348.403 2.893 20 5 EFBDHM O=C(CCC1CCCC1)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094288337 1284928492 /nfs/dbraw/zinc/92/84/92/1284928492.db2.gz BFZSUKAWMUGXMD-UHFFFAOYSA-N -1 3 336.392 2.584 20 5 EFBDHM O=C(NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C1(C2CCC2)CCC1 ZINC001094685804 1285496481 /nfs/dbraw/zinc/49/64/81/1285496481.db2.gz WJEXQNYQGAWDOT-UHFFFAOYSA-N -1 3 348.403 2.584 20 5 EFBDHM COc1ccc(CO[N-]C(=O)Cc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000747832844 1285614635 /nfs/dbraw/zinc/61/46/35/1285614635.db2.gz ZTDODGDEXPYKFS-UHFFFAOYSA-N -1 3 330.340 2.702 20 5 EFBDHM O=C(NCCCCCCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccoc1 ZINC001094923166 1286183140 /nfs/dbraw/zinc/18/31/40/1286183140.db2.gz RGHDIDULFYBAAG-UHFFFAOYSA-N -1 3 348.359 2.691 20 5 EFBDHM COC(=O)c1cc(C(=O)OCc2cc([N+](=O)[O-])ccc2Cl)c[n-]1 ZINC000814529530 1286745391 /nfs/dbraw/zinc/74/53/91/1286745391.db2.gz HVJZGOYSBKVUBM-UHFFFAOYSA-N -1 3 338.703 2.720 20 5 EFBDHM COC(=O)c1cc(C(=O)OCc2cc(Cl)ccc2[N+](=O)[O-])c[n-]1 ZINC000814531251 1286746280 /nfs/dbraw/zinc/74/62/80/1286746280.db2.gz CXOGVADIXGIALM-UHFFFAOYSA-N -1 3 338.703 2.720 20 5 EFBDHM O=C([N-]OCCC1CC1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000817392870 1288581387 /nfs/dbraw/zinc/58/13/87/1288581387.db2.gz DMLRKOPUYIFDPA-UHFFFAOYSA-N -1 3 347.140 2.958 20 5 EFBDHM CCOCC(COCC)Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233500854 1312944525 /nfs/dbraw/zinc/94/45/25/1312944525.db2.gz VNGOOSPHQMHQAS-UHFFFAOYSA-N -1 3 343.767 2.945 20 5 EFBDHM COC(=O)[C@@H]1CC[C@H](Oc2nc3cc(Cl)c([N+](=O)[O-])cc3[n-]2)C1 ZINC001233500634 1312944279 /nfs/dbraw/zinc/94/42/79/1312944279.db2.gz UGBNZYZHNWWJRZ-SFYZADRCSA-N -1 3 339.735 2.845 20 5 EFBDHM COC(=O)[C@@]1(C)C[C@@H](Oc2nc3cc(Cl)c([N+](=O)[O-])cc3[n-]2)C1 ZINC001233506853 1312946989 /nfs/dbraw/zinc/94/69/89/1312946989.db2.gz SLDMEVYNKXPWKA-BGIOPWKHSA-N -1 3 339.735 2.845 20 5 EFBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000800052010 1293896201 /nfs/dbraw/zinc/89/62/01/1293896201.db2.gz XUYRWGXUSVJPBB-UHFFFAOYSA-N -1 3 328.296 2.982 20 5 EFBDHM O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc2nn[n-]c21 ZINC000800206885 1293957029 /nfs/dbraw/zinc/95/70/29/1293957029.db2.gz KZPMXXCVWIVHCJ-UHFFFAOYSA-N -1 3 332.703 2.877 20 5 EFBDHM O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc2[n-]nnc21 ZINC000800206885 1293957032 /nfs/dbraw/zinc/95/70/32/1293957032.db2.gz KZPMXXCVWIVHCJ-UHFFFAOYSA-N -1 3 332.703 2.877 20 5 EFBDHM O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc2n[n-]nc21 ZINC000800206885 1293957034 /nfs/dbraw/zinc/95/70/34/1293957034.db2.gz KZPMXXCVWIVHCJ-UHFFFAOYSA-N -1 3 332.703 2.877 20 5 EFBDHM CCOC(=O)c1cnn2cccc(Nc3cc([O-])cc([N+](=O)[O-])c3)c12 ZINC001199818931 1295740511 /nfs/dbraw/zinc/74/05/11/1295740511.db2.gz HTDBYHTWGCZGEF-UHFFFAOYSA-N -1 3 342.311 2.868 20 5 EFBDHM O=[N+]([O-])c1cc([O-])cc(Nc2nc(Cl)c(Cl)nc2CO)c1 ZINC001199819510 1295741504 /nfs/dbraw/zinc/74/15/04/1295741504.db2.gz VOVGPHLSELQDRB-UHFFFAOYSA-N -1 3 331.115 2.633 20 5 EFBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ncc(O)cc2Br)c1 ZINC001199819545 1295741618 /nfs/dbraw/zinc/74/16/18/1295741618.db2.gz XPQZDPBQTVZZQB-UHFFFAOYSA-N -1 3 326.106 2.907 20 5 EFBDHM Cc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)n(Cc2cccnc2)n1 ZINC001199802452 1295760534 /nfs/dbraw/zinc/76/05/34/1295760534.db2.gz POISIJUOSOVKEF-UHFFFAOYSA-N -1 3 325.328 2.992 20 5 EFBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccc(F)c2N2CC[C@H](O)C2)c1 ZINC001201229299 1296636327 /nfs/dbraw/zinc/63/63/27/1296636327.db2.gz LDTAJNSLZUWIRK-LBPRGKRZSA-N -1 3 333.319 2.754 20 5 EFBDHM COC(=O)c1nn(C)c2ccc(Nc3cc([O-])cc([N+](=O)[O-])c3)cc12 ZINC001201233035 1296639937 /nfs/dbraw/zinc/63/99/37/1296639937.db2.gz XELXSDKCDSDFMF-UHFFFAOYSA-N -1 3 342.311 2.717 20 5 EFBDHM Cc1ccnc(-c2noc(-c3[n-]nc(C(F)(F)F)c3[N+](=O)[O-])n2)c1 ZINC001212973168 1297331462 /nfs/dbraw/zinc/33/14/62/1297331462.db2.gz UAALVNBNCQQQCN-UHFFFAOYSA-N -1 3 340.221 2.757 20 5 EFBDHM O=[N+]([O-])c1ccccc1[N-]c1nccnc1I ZINC001206145251 1313410732 /nfs/dbraw/zinc/41/07/32/1313410732.db2.gz ZYOBTUGYJDRORE-UHFFFAOYSA-N -1 3 342.096 2.733 20 5 EFBDHM CC(C)Oc1ccc([C@@H](O)CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000853344230 1300092576 /nfs/dbraw/zinc/09/25/76/1300092576.db2.gz IMWKAFGZMITUMZ-AWEZNQCLSA-N -1 3 333.344 2.628 20 5 EFBDHM CC[C@](C)(CCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C1OCCO1 ZINC000853392212 1300104354 /nfs/dbraw/zinc/10/43/54/1300104354.db2.gz LBGBMPVVTBSEPW-OAHLLOKOSA-N -1 3 325.365 2.677 20 5 EFBDHM CC1(C)CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@](C)(C(F)(F)F)O1 ZINC000853648561 1300213113 /nfs/dbraw/zinc/21/31/13/1300213113.db2.gz NTEUCYZZIBMXSZ-LBPRGKRZSA-N -1 3 335.282 2.632 20 5 EFBDHM C[C@H](C[C@@H](C)Nc1cc[n-]c(=O)c1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000853707516 1300239908 /nfs/dbraw/zinc/23/99/08/1300239908.db2.gz KVZJYSBRGOZQAM-NXEZZACHSA-N -1 3 340.380 2.799 20 5 EFBDHM CCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCN(C(=O)C2CCC2)CC1 ZINC001066813494 1301161485 /nfs/dbraw/zinc/16/14/85/1301161485.db2.gz LHPIMWGNKGABSW-UHFFFAOYSA-N -1 3 348.403 2.679 20 5 EFBDHM CC1(CC(=O)N[C@H]2C[C@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)CCCC1 ZINC001097023525 1313807649 /nfs/dbraw/zinc/80/76/49/1313807649.db2.gz VNRQXYAKKFFVKM-HAQNSBGRSA-N -1 3 348.403 2.725 20 5 EFBDHM O=C([N-]OCC1CCC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000862232604 1302314855 /nfs/dbraw/zinc/31/48/55/1302314855.db2.gz DPHLIUCRVWNBKH-UHFFFAOYSA-N -1 3 329.150 2.819 20 5 EFBDHM CC/C(C)=C/C(=O)NCCCN(c1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1 ZINC001096034966 1307429100 /nfs/dbraw/zinc/42/91/00/1307429100.db2.gz FGJZYDCEKBJLOO-VAWYXSNFSA-N -1 3 348.403 2.527 20 5 EFBDHM O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1cc(F)cc2n[n-]nc21 ZINC000800514173 1308017529 /nfs/dbraw/zinc/01/75/29/1308017529.db2.gz DDJFFSPQARAKAV-UHFFFAOYSA-N -1 3 349.709 2.589 20 5 EFBDHM O=C(NC[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1[O-] ZINC001046228531 1308423679 /nfs/dbraw/zinc/42/36/79/1308423679.db2.gz HMPHTVCPVIHTCH-XBXGTLAGSA-N -1 3 341.367 2.921 20 5 EFBDHM CN1CCN(c2cccc(Nc3ccc([O-])c([N+](=O)[O-])c3)c2)CC1 ZINC001210394971 1314325738 /nfs/dbraw/zinc/32/57/38/1314325738.db2.gz LCQWSWDCNBRHSB-UHFFFAOYSA-N -1 3 328.372 2.796 20 5 EFBDHM CC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCN(C(=O)CC2CCC2)CC1 ZINC001067248220 1314374840 /nfs/dbraw/zinc/37/48/40/1314374840.db2.gz NHYOIEZYGYHUFW-UHFFFAOYSA-N -1 3 348.403 2.679 20 5 EFBDHM O=C([O-])CC1(NCc2cc(Br)c([N+](=O)[O-])s2)CCC1 ZINC000901708232 1310916921 /nfs/dbraw/zinc/91/69/21/1310916921.db2.gz PEKVKKYMTNITQJ-UHFFFAOYSA-N -1 3 349.206 2.906 20 5 EFBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C12CCC(CC1)CC2 ZINC001101639229 1311256801 /nfs/dbraw/zinc/25/68/01/1311256801.db2.gz MGRRJFIJOLZBKM-UHFFFAOYSA-N -1 3 348.403 2.536 20 5 EFBDHM CCCC1(C(=O)N(C)CCNc2cc[n-]c(=O)c2[N+](=O)[O-])CCC1 ZINC001101912250 1311266544 /nfs/dbraw/zinc/26/65/44/1311266544.db2.gz KVBRHAKPBPWQTK-UHFFFAOYSA-N -1 3 336.392 2.536 20 5 EFBDHM CCCCC1(C(=O)N(C)CCNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001101929290 1311267562 /nfs/dbraw/zinc/26/75/62/1311267562.db2.gz RVRWDJJUIQRTDF-UHFFFAOYSA-N -1 3 336.392 2.536 20 5 EFBDHM CCCCOC[C@@H](C)OC[C@H](C)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225664102 1311562037 /nfs/dbraw/zinc/56/20/37/1311562037.db2.gz JQFHQTZWKUQNQD-NEPJUHHUSA-N -1 3 328.365 2.685 20 5 EFBDHM O=C(OCc1ccccc1)C1CC(Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225666389 1311562248 /nfs/dbraw/zinc/56/22/48/1311562248.db2.gz HVUUOAGJCLCUEB-UHFFFAOYSA-N -1 3 344.323 2.596 20 5 EFBDHM CC(=O)c1ccc([O-])c(O[C@@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)c1 ZINC001225995465 1311599716 /nfs/dbraw/zinc/59/97/16/1311599716.db2.gz RMHLJQQJUJVORA-KRWDZBQOSA-N -1 3 345.307 2.720 20 5 EFBDHM C[C@H](C[N+](C)(C)C)Oc1cc2c([O-])c3c(=O)cccc-3oc2cc1[O-] ZINC001227309418 1311792174 /nfs/dbraw/zinc/79/21/74/1311792174.db2.gz LAXPNANMEFYQNQ-LLVKDONJSA-O -1 3 344.387 2.831 20 5 EFBDHM COc1cc(OC[C@H]2CCO2)c2c(=O)c3c(O)ccc([O-])c3oc2c1 ZINC001227646133 1311836034 /nfs/dbraw/zinc/83/60/34/1311836034.db2.gz ODLJYPKSJWYBMU-SECBINFHSA-N -1 3 344.319 2.534 20 5 EFBDHM COc1ccc(OC[C@@H](C)Oc2ncc([N+](=O)[O-])c3nc[n-]c32)cc1 ZINC001227691550 1311839675 /nfs/dbraw/zinc/83/96/75/1311839675.db2.gz PFYJHYXGIYCODH-SNVBAGLBSA-N -1 3 344.327 2.721 20 5 EFBDHM COc1ccc(OC[C@H](C)Oc2ncc([N+](=O)[O-])c3nc[n-]c32)cc1 ZINC001227691549 1311839724 /nfs/dbraw/zinc/83/97/24/1311839724.db2.gz PFYJHYXGIYCODH-JTQLQIEISA-N -1 3 344.327 2.721 20 5 EFBDHM C[C@@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)c1cccc([N+](=O)[O-])c1 ZINC001227691104 1311839784 /nfs/dbraw/zinc/83/97/84/1311839784.db2.gz MNOVZBVLMCSFMH-MRVPVSSYSA-N -1 3 329.272 2.914 20 5 EFBDHM O=[N+]([O-])c1cnc(O[C@H]2C[C@@H](OCc3ccccc3)C2)c2[n-]cnc21 ZINC001227690080 1311839841 /nfs/dbraw/zinc/83/98/41/1311839841.db2.gz FMCUECULRVIBIS-BETUJISGSA-N -1 3 340.339 2.993 20 5 EFBDHM COc1ccccc1OC[C@@H](C)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227690565 1311839876 /nfs/dbraw/zinc/83/98/76/1311839876.db2.gz IREBOAQGLYGWJO-SNVBAGLBSA-N -1 3 344.327 2.721 20 5 EFBDHM CC(C)Oc1cc(COc2ncc([N+](=O)[O-])c3nc[n-]c32)c(F)cn1 ZINC001227695834 1311841128 /nfs/dbraw/zinc/84/11/28/1311841128.db2.gz QJLYAAMSFBNETO-UHFFFAOYSA-N -1 3 347.306 2.766 20 5 EFBDHM CCOC(=O)[C@@H]1CCC[C@@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)C1 ZINC001227743514 1311848541 /nfs/dbraw/zinc/84/85/41/1311848541.db2.gz RQJOEQOWADJNAD-ZYHUDNBSSA-N -1 3 333.344 2.972 20 5 EFBDHM CCOC(=O)[C@@H]1CCC[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC001227743514 1311848543 /nfs/dbraw/zinc/84/85/43/1311848543.db2.gz RQJOEQOWADJNAD-ZYHUDNBSSA-N -1 3 333.344 2.972 20 5 EFBDHM CCOC(=O)N1CCC(Oc2nc3cc([N+](=O)[O-])c(C)cc3[n-]2)CC1 ZINC001228674219 1311979869 /nfs/dbraw/zinc/97/98/69/1311979869.db2.gz JCVCHJXRJWCDMW-UHFFFAOYSA-N -1 3 348.359 2.779 20 5 EFBDHM Cc1[n-]c(=O)cc(O[C@H](C(=O)OC(C)(C)C)C(C)C)c1[N+](=O)[O-] ZINC001228688447 1311982313 /nfs/dbraw/zinc/98/23/13/1311982313.db2.gz IWZACJUDPVRYGB-ZDUSSCGKSA-N -1 3 326.349 2.749 20 5 EFBDHM COc1cccc(OC[C@@H](C)Oc2cc(=O)[n-]c(C)c2[N+](=O)[O-])c1 ZINC001228688891 1311982628 /nfs/dbraw/zinc/98/26/28/1311982628.db2.gz MNIFAKISPQARKM-SNVBAGLBSA-N -1 3 334.328 2.859 20 5 EFBDHM Cc1ncc(Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)c(=O)[n-]1 ZINC001162306573 1312085351 /nfs/dbraw/zinc/08/53/51/1312085351.db2.gz ZZVHCSKTAJHPIU-LBPRGKRZSA-N -1 3 341.302 2.606 20 5 EFBDHM Cc1nc(OC(C(=O)c2ccco2)c2ccco2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229380830 1312086055 /nfs/dbraw/zinc/08/60/55/1312086055.db2.gz LQLKQDWKKXMZGZ-CYBMUJFWSA-N -1 3 345.267 2.588 20 5 EFBDHM Cc1ccc(-c2noc(C(=O)[N-]c3ccc([N+](=O)[O-])cc3)n2)nc1 ZINC001248000360 1314880197 /nfs/dbraw/zinc/88/01/97/1314880197.db2.gz QFIVYRRTPODILI-UHFFFAOYSA-N -1 3 325.284 2.601 20 5 EFBDHM Cc1cc(C)c(-c2noc(C(=O)[N-]c3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC001247999902 1314880342 /nfs/dbraw/zinc/88/03/42/1314880342.db2.gz OPPDPXYIWXRETB-UHFFFAOYSA-N -1 3 339.311 2.909 20 5 EFBDHM CC(C)(C)C(=O)N1CCC(C)(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001067261569 1315019857 /nfs/dbraw/zinc/01/98/57/1315019857.db2.gz HSMLTYMXNCKVME-UHFFFAOYSA-N -1 3 336.392 2.535 20 5 EFBDHM CCOc1ccc(-c2nnc(-c3cc([N+](=O)[O-])c[n-]c3=O)o2)cc1 ZINC001252104280 1315414071 /nfs/dbraw/zinc/41/40/71/1315414071.db2.gz VDXZLYYEYQRQES-UHFFFAOYSA-N -1 3 328.284 2.811 20 5 EFBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1CN(C)C ZINC001262032962 1316444609 /nfs/dbraw/zinc/44/46/09/1316444609.db2.gz KMKSHZOKGQTFPZ-UHFFFAOYSA-N -1 3 349.412 2.766 20 5 EFBDHM CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC001325040231 1329666110 /nfs/dbraw/zinc/66/61/10/1329666110.db2.gz YZLQCHNBMIKCKK-UHFFFAOYSA-N -1 3 342.315 2.575 20 5 EFBDHM CS(=O)(=O)[N-]c1cccc(F)c1CNc1ccsc1[N+](=O)[O-] ZINC001329337370 1330696150 /nfs/dbraw/zinc/69/61/50/1330696150.db2.gz ONFKDUFGGOUMKR-UHFFFAOYSA-N -1 3 345.377 2.779 20 5 EFBDHM C[C@@H](NCc1cc(-c2nn[n-]n2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000820426825 1428866250 /nfs/dbraw/zinc/86/62/50/1428866250.db2.gz ODVVXIFOWSPIGS-SECBINFHSA-N -1 3 330.373 2.687 20 5 EFBDHM C[C@H](NCc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000824613922 1423557913 /nfs/dbraw/zinc/55/79/13/1423557913.db2.gz YLUVWKZYWUMGBU-JTQLQIEISA-N -1 3 342.334 2.765 20 5 EFBDHM C[C@H](NCc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000824613922 1423557918 /nfs/dbraw/zinc/55/79/18/1423557918.db2.gz YLUVWKZYWUMGBU-JTQLQIEISA-N -1 3 342.334 2.765 20 5 EFBDHM Cc1ccc(CN(C)Cc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000826288004 1443438638 /nfs/dbraw/zinc/43/86/38/1443438638.db2.gz MRNYJPNSJMMCGK-UHFFFAOYSA-N -1 3 338.371 2.715 20 5 EFBDHM C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736200973 1446657750 /nfs/dbraw/zinc/65/77/50/1446657750.db2.gz FTIOMQOELDIVTF-LBPRGKRZSA-N -1 3 338.371 2.968 20 5 EFBDHM C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736200973 1446657756 /nfs/dbraw/zinc/65/77/56/1446657756.db2.gz FTIOMQOELDIVTF-LBPRGKRZSA-N -1 3 338.371 2.968 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000822271371 1447008827 /nfs/dbraw/zinc/00/88/27/1447008827.db2.gz YIJYTCMQAHWUSJ-GFCCVEGCSA-N -1 3 338.371 2.934 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000822271371 1447008830 /nfs/dbraw/zinc/00/88/30/1447008830.db2.gz YIJYTCMQAHWUSJ-GFCCVEGCSA-N -1 3 338.371 2.934 20 5 EFBDHM Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000121531486 714926062 /nfs/dbraw/zinc/92/60/62/714926062.db2.gz VFVFRIIBLYMJJW-UHFFFAOYSA-N -1 3 333.131 2.592 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H](NC(=O)c3ccccc3[O-])C2)c1 ZINC001059554267 724496132 /nfs/dbraw/zinc/49/61/32/724496132.db2.gz MNOOONGSQLHDRB-BETUJISGSA-N -1 3 341.367 2.982 20 5 EFBDHM C[C@@H](OC(=O)c1ccc([O-])cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000005694137 719142816 /nfs/dbraw/zinc/14/28/16/719142816.db2.gz JWSBNBPLTOLMRE-SECBINFHSA-N -1 3 348.286 2.624 20 5 EFBDHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)c(C)c1 ZINC000018707247 719191479 /nfs/dbraw/zinc/19/14/79/719191479.db2.gz PQLZMEFCILUPGS-UHFFFAOYSA-N -1 3 335.385 2.903 20 5 EFBDHM O=C(N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1)C1CCCCCC1 ZINC001059584842 724649285 /nfs/dbraw/zinc/64/92/85/724649285.db2.gz IPMQPUUHFCKDFD-BETUJISGSA-N -1 3 348.403 2.725 20 5 EFBDHM CC[C@H](C)CO[N-]C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000794861837 723864887 /nfs/dbraw/zinc/86/48/87/723864887.db2.gz AUEATQRLCJAALK-VIFPVBQESA-N -1 3 345.193 2.994 20 5 EFBDHM COc1ccc([N+](=O)[O-])cc1COC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000913298588 727813514 /nfs/dbraw/zinc/81/35/14/727813514.db2.gz NHSYPTUZMVELCZ-UHFFFAOYSA-N -1 3 343.295 2.944 20 5 EFBDHM COc1ccc([N+](=O)[O-])cc1COC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000913298588 727813515 /nfs/dbraw/zinc/81/35/15/727813515.db2.gz NHSYPTUZMVELCZ-UHFFFAOYSA-N -1 3 343.295 2.944 20 5 EFBDHM O=C(COC(=O)c1cc(-c2ccco2)[n-]n1)c1ccc([N+](=O)[O-])cc1 ZINC000913299854 727814257 /nfs/dbraw/zinc/81/42/57/727814257.db2.gz RYOCRUNOSXKFBT-UHFFFAOYSA-N -1 3 341.279 2.618 20 5 EFBDHM O=C(COC(=O)c1cc(-c2ccco2)n[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000913299854 727814259 /nfs/dbraw/zinc/81/42/59/727814259.db2.gz RYOCRUNOSXKFBT-UHFFFAOYSA-N -1 3 341.279 2.618 20 5 EFBDHM C[C@H](N/C=C1/C(=O)[N-]C(=O)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000055008319 727896933 /nfs/dbraw/zinc/89/69/33/727896933.db2.gz RRSBDLVZFDSBMI-YAFRSCOQSA-N -1 3 337.335 2.557 20 5 EFBDHM CC(C)[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000076834269 728531161 /nfs/dbraw/zinc/53/11/61/728531161.db2.gz WFKFRQPZPDUJSA-HNNXBMFYSA-N -1 3 335.385 2.665 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cc1F ZINC000179624466 729598901 /nfs/dbraw/zinc/59/89/01/729598901.db2.gz AGEVFSPQIKPRJK-UHFFFAOYSA-N -1 3 328.296 2.982 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cc1C ZINC000179624320 729598985 /nfs/dbraw/zinc/59/89/85/729598985.db2.gz ZDBMXWFKVKPYQI-UHFFFAOYSA-N -1 3 340.332 2.852 20 5 EFBDHM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@H]2CCCC[C@H]12 ZINC000824992073 947029199 /nfs/dbraw/zinc/02/91/99/947029199.db2.gz JNAYCNLIIYYYID-QKCSRTOESA-N -1 3 328.376 2.790 20 5 EFBDHM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@H]2CCCC[C@H]12 ZINC000824992073 947029212 /nfs/dbraw/zinc/02/92/12/947029212.db2.gz JNAYCNLIIYYYID-QKCSRTOESA-N -1 3 328.376 2.790 20 5 EFBDHM Cc1cc(-c2nn[n-]n2)ccc1OCCOc1ccccc1[N+](=O)[O-] ZINC000826255341 947735603 /nfs/dbraw/zinc/73/56/03/947735603.db2.gz UTUBVJFKTHNEFX-UHFFFAOYSA-N -1 3 341.327 2.541 20 5 EFBDHM O=C([O-])CN(Cc1ccc(Br)cc1[N+](=O)[O-])C1CCC1 ZINC001574715901 962720718 /nfs/dbraw/zinc/72/07/18/962720718.db2.gz CVUFJFRRAWAJQK-UHFFFAOYSA-N -1 3 343.177 2.796 20 5 EFBDHM CC[C@](C)(CC(=O)[O-])NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001594828732 981998180 /nfs/dbraw/zinc/99/81/80/981998180.db2.gz KWHIDYDTDAKRFU-MRXNPFEDSA-N -1 3 333.344 2.983 20 5 EFBDHM CC[C@H](C)N[C@@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])c1ccco1 ZINC001594994377 982874239 /nfs/dbraw/zinc/87/42/39/982874239.db2.gz LTOLCCCVSMPSCU-JQWIXIFHSA-N -1 3 348.359 2.822 20 5 EFBDHM CC[C@H](C)N[C@@H](CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccco1 ZINC001594994711 982882018 /nfs/dbraw/zinc/88/20/18/982882018.db2.gz PSWQOWXUTHEVND-JQWIXIFHSA-N -1 3 348.359 2.822 20 5 EFBDHM CCO[C@@H]1C[C@H](NCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C12CCC2 ZINC001596836620 985485081 /nfs/dbraw/zinc/48/50/81/985485081.db2.gz DVOVQBACRHCTRR-LSDHHAIUSA-N -1 3 334.372 2.730 20 5 EFBDHM CC([C@H](OC(=O)c1cc(C(=O)[O-])co1)c1ccccc1F)[N+](=O)[O-] ZINC001589554294 987300277 /nfs/dbraw/zinc/30/02/77/987300277.db2.gz YTKMTCGUBAKBNS-SDBXPKJASA-N -1 3 337.259 2.680 20 5 EFBDHM C[C@@](NCc1ccc([N+](=O)[O-])cc1Br)(C(=O)[O-])C1CC1 ZINC001593299757 994724658 /nfs/dbraw/zinc/72/46/58/994724658.db2.gz VIJIYCZIABXFJO-ZDUSSCGKSA-N -1 3 343.177 2.700 20 5 EFBDHM COc1cccc(C[C@H](NCc2c(F)cccc2[N+](=O)[O-])C(=O)[O-])c1 ZINC001599670142 994795914 /nfs/dbraw/zinc/79/59/14/994795914.db2.gz PFEPILXZJVPBMS-HNNXBMFYSA-N -1 3 348.330 2.528 20 5 EFBDHM C[C@]1(NCc2c(F)cc([N+](=O)[O-])cc2F)CCCC[C@H]1C(=O)[O-] ZINC001594060590 997835361 /nfs/dbraw/zinc/83/53/61/997835361.db2.gz QOXMIXPSJPHQTK-NHYWBVRUSA-N -1 3 328.315 2.996 20 5 EFBDHM COCc1csc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC001579839537 1090701163 /nfs/dbraw/zinc/70/11/63/1090701163.db2.gz UOXDIQMHZKDOIV-UHFFFAOYSA-N -1 3 346.372 2.595 20 5 EFBDHM COCc1csc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC001579839537 1090701165 /nfs/dbraw/zinc/70/11/65/1090701165.db2.gz UOXDIQMHZKDOIV-UHFFFAOYSA-N -1 3 346.372 2.595 20 5 EFBDHM Cc1cc(-c2nnn[n-]2)cc(C)c1COc1ccccc1[N+](=O)[O-] ZINC001580614806 1090968388 /nfs/dbraw/zinc/96/83/88/1090968388.db2.gz NYDDWKXCQQZMJY-UHFFFAOYSA-N -1 3 325.328 2.971 20 5 EFBDHM Cc1cc(-c2nn[n-]n2)cc(C)c1COc1ccccc1[N+](=O)[O-] ZINC001580614806 1090968392 /nfs/dbraw/zinc/96/83/92/1090968392.db2.gz NYDDWKXCQQZMJY-UHFFFAOYSA-N -1 3 325.328 2.971 20 5 EFBDHM Cc1cc(N[C@@H]2CC(C)(C)OC2(C)C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001581000719 1091059317 /nfs/dbraw/zinc/05/93/17/1091059317.db2.gz IXEMLLOKXBIOMQ-CYBMUJFWSA-N -1 3 346.391 2.841 20 5 EFBDHM Cc1cc(N[C@@H]2CC(C)(C)OC2(C)C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001581000719 1091059322 /nfs/dbraw/zinc/05/93/22/1091059322.db2.gz IXEMLLOKXBIOMQ-CYBMUJFWSA-N -1 3 346.391 2.841 20 5 EFBDHM Cc1cc(Oc2cccc([N+](=O)[O-])c2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001581044007 1091065922 /nfs/dbraw/zinc/06/59/22/1091065922.db2.gz MSSNJMYFXHHBSH-UHFFFAOYSA-N -1 3 342.271 2.784 20 5 EFBDHM Cc1cc(Oc2cccc([N+](=O)[O-])c2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001581044007 1091065927 /nfs/dbraw/zinc/06/59/27/1091065927.db2.gz MSSNJMYFXHHBSH-UHFFFAOYSA-N -1 3 342.271 2.784 20 5 EFBDHM Cc1ccc(N(C)Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c(F)c1 ZINC001581206960 1091093435 /nfs/dbraw/zinc/09/34/35/1091093435.db2.gz LRBUZYRWVNRBOP-UHFFFAOYSA-N -1 3 342.334 2.859 20 5 EFBDHM Cc1ccc(N(C)Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c(F)c1 ZINC001581206960 1091093437 /nfs/dbraw/zinc/09/34/37/1091093437.db2.gz LRBUZYRWVNRBOP-UHFFFAOYSA-N -1 3 342.334 2.859 20 5 EFBDHM Cc1cccc(CSc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC001581240428 1091103793 /nfs/dbraw/zinc/10/37/93/1091103793.db2.gz HOFXSIGEFABPMA-UHFFFAOYSA-N -1 3 328.357 2.771 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC001582803809 1091668253 /nfs/dbraw/zinc/66/82/53/1091668253.db2.gz VTBYFQPGGBKRDW-APHBMKBZSA-N -1 3 334.339 2.525 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC001582803809 1091668255 /nfs/dbraw/zinc/66/82/55/1091668255.db2.gz VTBYFQPGGBKRDW-APHBMKBZSA-N -1 3 334.339 2.525 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N[C@@H]1C[C@H]1c1ccccc1F ZINC001582803956 1091668605 /nfs/dbraw/zinc/66/86/05/1091668605.db2.gz DVVJECSIRFBNBI-WCQYABFASA-N -1 3 340.318 2.882 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N[C@@H]1C[C@H]1c1ccccc1F ZINC001582803956 1091668609 /nfs/dbraw/zinc/66/86/09/1091668609.db2.gz DVVJECSIRFBNBI-WCQYABFASA-N -1 3 340.318 2.882 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001582803653 1091668791 /nfs/dbraw/zinc/66/87/91/1091668791.db2.gz PIGCZEZZUUQGNB-BBBLOLIVSA-N -1 3 332.339 2.762 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001582803653 1091668796 /nfs/dbraw/zinc/66/87/96/1091668796.db2.gz PIGCZEZZUUQGNB-BBBLOLIVSA-N -1 3 332.339 2.762 20 5 EFBDHM C[C@@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(C)(C)C ZINC001589031306 1093020107 /nfs/dbraw/zinc/02/01/07/1093020107.db2.gz YYQNWCZVFDHROH-VIFPVBQESA-N -1 3 333.348 2.500 20 5 EFBDHM C[C@@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(C)(C)C ZINC001589031306 1093020112 /nfs/dbraw/zinc/02/01/12/1093020112.db2.gz YYQNWCZVFDHROH-VIFPVBQESA-N -1 3 333.348 2.500 20 5 EFBDHM CC(C)(C)CCCCNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001589124132 1093036513 /nfs/dbraw/zinc/03/65/13/1093036513.db2.gz ZWGRGMUGCDFGSD-UHFFFAOYSA-N -1 3 333.396 2.985 20 5 EFBDHM CC(C)(C)CCCCNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001589124132 1093036518 /nfs/dbraw/zinc/03/65/18/1093036518.db2.gz ZWGRGMUGCDFGSD-UHFFFAOYSA-N -1 3 333.396 2.985 20 5 EFBDHM CC(C)(C)SCCSc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001589209125 1093049211 /nfs/dbraw/zinc/04/92/11/1093049211.db2.gz SSHXKHALCYDOLM-UHFFFAOYSA-N -1 3 340.434 2.794 20 5 EFBDHM CC(C)(C)c1cnc(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)o1 ZINC001589233295 1093054268 /nfs/dbraw/zinc/05/42/68/1093054268.db2.gz ADOQWMLZOKVUOH-UHFFFAOYSA-N -1 3 343.347 2.673 20 5 EFBDHM CC(C)(CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-])C(F)(F)F ZINC001589288238 1093064675 /nfs/dbraw/zinc/06/46/75/1093064675.db2.gz KAAROCFHAKQSJC-UHFFFAOYSA-N -1 3 348.260 2.914 20 5 EFBDHM CC(C)(CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-])C(F)(F)F ZINC001589288238 1093064685 /nfs/dbraw/zinc/06/46/85/1093064685.db2.gz KAAROCFHAKQSJC-UHFFFAOYSA-N -1 3 348.260 2.914 20 5 EFBDHM CC(C)C[C@H]1OCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001589573967 1093110321 /nfs/dbraw/zinc/11/03/21/1093110321.db2.gz PVBPNOFHUKFMCR-HUUCEWRRSA-N -1 3 346.391 2.781 20 5 EFBDHM CC(C)C[C@H]1OCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001589573967 1093110326 /nfs/dbraw/zinc/11/03/26/1093110326.db2.gz PVBPNOFHUKFMCR-HUUCEWRRSA-N -1 3 346.391 2.781 20 5 EFBDHM CC(C)O[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1(C)C ZINC001589738978 1093131580 /nfs/dbraw/zinc/13/15/80/1093131580.db2.gz BDKUFFKTBHNZLZ-KBPBESRZSA-N -1 3 346.391 2.779 20 5 EFBDHM CC(C)c1cc(CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])on1 ZINC001589767083 1093139108 /nfs/dbraw/zinc/13/91/08/1093139108.db2.gz MUZMIHXTPPKJRB-UHFFFAOYSA-N -1 3 347.310 2.638 20 5 EFBDHM CC(C)c1cc(CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])on1 ZINC001589767083 1093139114 /nfs/dbraw/zinc/13/91/14/1093139114.db2.gz MUZMIHXTPPKJRB-UHFFFAOYSA-N -1 3 347.310 2.638 20 5 EFBDHM C[C@@H](CCc1ccco1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001589837084 1093159383 /nfs/dbraw/zinc/15/93/83/1093159383.db2.gz UAAYSKBZZCLSOZ-JTQLQIEISA-N -1 3 328.332 2.801 20 5 EFBDHM C[C@@H](CCc1ccco1)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001589837084 1093159390 /nfs/dbraw/zinc/15/93/90/1093159390.db2.gz UAAYSKBZZCLSOZ-JTQLQIEISA-N -1 3 328.332 2.801 20 5 EFBDHM C[C@H](CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])Oc1ccccc1 ZINC001589876246 1093163135 /nfs/dbraw/zinc/16/31/35/1093163135.db2.gz SCHDWGNWZVWIGJ-LLVKDONJSA-N -1 3 340.343 2.654 20 5 EFBDHM C[C@H](CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])Oc1ccccc1 ZINC001589876246 1093163139 /nfs/dbraw/zinc/16/31/39/1093163139.db2.gz SCHDWGNWZVWIGJ-LLVKDONJSA-N -1 3 340.343 2.654 20 5 EFBDHM C[C@H](Cc1ccccc1F)Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589899629 1093172074 /nfs/dbraw/zinc/17/20/74/1093172074.db2.gz NJARITPCJXQJMW-SNVBAGLBSA-N -1 3 342.334 2.957 20 5 EFBDHM C[C@H](Cc1ccccc1F)Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589899629 1093172077 /nfs/dbraw/zinc/17/20/77/1093172077.db2.gz NJARITPCJXQJMW-SNVBAGLBSA-N -1 3 342.334 2.957 20 5 EFBDHM C[C@H](Cc1ccsc1)Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589901686 1093172586 /nfs/dbraw/zinc/17/25/86/1093172586.db2.gz CKEVXBHWICHTTM-SECBINFHSA-N -1 3 330.373 2.880 20 5 EFBDHM C[C@H](Cc1ccsc1)Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589901686 1093172588 /nfs/dbraw/zinc/17/25/88/1093172588.db2.gz CKEVXBHWICHTTM-SECBINFHSA-N -1 3 330.373 2.880 20 5 EFBDHM C[C@@H](Cc1ccsc1)Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589901689 1093172632 /nfs/dbraw/zinc/17/26/32/1093172632.db2.gz CKEVXBHWICHTTM-VIFPVBQESA-N -1 3 330.373 2.880 20 5 EFBDHM C[C@@H](Cc1ccsc1)Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589901689 1093172636 /nfs/dbraw/zinc/17/26/36/1093172636.db2.gz CKEVXBHWICHTTM-VIFPVBQESA-N -1 3 330.373 2.880 20 5 EFBDHM C[C@H](c1ccc(-c2nnn[n-]2)cc1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001590038483 1093232704 /nfs/dbraw/zinc/23/27/04/1093232704.db2.gz AWFZUXWSTMXTQT-LLVKDONJSA-N -1 3 336.355 2.852 20 5 EFBDHM C[C@H](c1ccc(-c2nn[n-]n2)cc1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001590038483 1093232710 /nfs/dbraw/zinc/23/27/10/1093232710.db2.gz AWFZUXWSTMXTQT-LLVKDONJSA-N -1 3 336.355 2.852 20 5 EFBDHM CC1(C2CC2)CCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC1 ZINC001590121694 1093275533 /nfs/dbraw/zinc/27/55/33/1093275533.db2.gz BADYODNTUUODLO-UHFFFAOYSA-N -1 3 328.376 2.791 20 5 EFBDHM CC1(C2CC2)CCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CC1 ZINC001590121694 1093275539 /nfs/dbraw/zinc/27/55/39/1093275539.db2.gz BADYODNTUUODLO-UHFFFAOYSA-N -1 3 328.376 2.791 20 5 EFBDHM C[C@@]1(CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])CCCS1 ZINC001590134421 1093282716 /nfs/dbraw/zinc/28/27/16/1093282716.db2.gz ZMWDDTUPSCKRRX-ZDUSSCGKSA-N -1 3 338.368 2.612 20 5 EFBDHM C[C@@]1(CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])CCCS1 ZINC001590134421 1093282721 /nfs/dbraw/zinc/28/27/21/1093282721.db2.gz ZMWDDTUPSCKRRX-ZDUSSCGKSA-N -1 3 338.368 2.612 20 5 EFBDHM C[C@@H]1[C@@H](C(F)(F)F)CCN1c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001590166662 1093294286 /nfs/dbraw/zinc/29/42/86/1093294286.db2.gz FSWJXWXJZKKAGG-APPZFPTMSA-N -1 3 342.281 2.552 20 5 EFBDHM C[C@@H]1[C@@H](C(F)(F)F)CCN1c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001590166662 1093294292 /nfs/dbraw/zinc/29/42/92/1093294292.db2.gz FSWJXWXJZKKAGG-APPZFPTMSA-N -1 3 342.281 2.552 20 5 EFBDHM C[C@@H]1C[C@H](Nc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])CCS1 ZINC001590206804 1093302533 /nfs/dbraw/zinc/30/25/33/1093302533.db2.gz LMROGYYBHGHDPS-HTQZYQBOSA-N -1 3 338.368 2.610 20 5 EFBDHM C[C@@H]1C[C@H](Nc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])CCS1 ZINC001590206804 1093302540 /nfs/dbraw/zinc/30/25/40/1093302540.db2.gz LMROGYYBHGHDPS-HTQZYQBOSA-N -1 3 338.368 2.610 20 5 EFBDHM C[C@@H]1C[C@@H](Nc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])CCS1 ZINC001590206806 1093304114 /nfs/dbraw/zinc/30/41/14/1093304114.db2.gz LMROGYYBHGHDPS-SFYZADRCSA-N -1 3 338.368 2.610 20 5 EFBDHM C[C@@H]1C[C@@H](Nc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])CCS1 ZINC001590206806 1093304121 /nfs/dbraw/zinc/30/41/21/1093304121.db2.gz LMROGYYBHGHDPS-SFYZADRCSA-N -1 3 338.368 2.610 20 5 EFBDHM C[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)[C@H](C)C1 ZINC001590237858 1093324778 /nfs/dbraw/zinc/32/47/78/1093324778.db2.gz CQSQYBVVXQDUDO-BBBLOLIVSA-N -1 3 331.380 2.594 20 5 EFBDHM C[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)[C@H](C)C1 ZINC001590237858 1093324785 /nfs/dbraw/zinc/32/47/85/1093324785.db2.gz CQSQYBVVXQDUDO-BBBLOLIVSA-N -1 3 331.380 2.594 20 5 EFBDHM C[C@@H]1CCCC[C@@H]1C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590250279 1093338799 /nfs/dbraw/zinc/33/87/99/1093338799.db2.gz OBPHOLJFXQCHDU-MNOVXSKESA-N -1 3 345.359 2.644 20 5 EFBDHM C[C@@H]1CCCC[C@@H]1C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590250279 1093338807 /nfs/dbraw/zinc/33/88/07/1093338807.db2.gz OBPHOLJFXQCHDU-MNOVXSKESA-N -1 3 345.359 2.644 20 5 EFBDHM C[C@H]1CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC001590315848 1093373584 /nfs/dbraw/zinc/37/35/84/1093373584.db2.gz XMFKRDYOKMGHGI-MEDUHNTESA-N -1 3 336.355 2.972 20 5 EFBDHM CC[C@@H](CC(C)C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590424633 1093416421 /nfs/dbraw/zinc/41/64/21/1093416421.db2.gz KWXZWCJUCRQXPJ-NSHDSACASA-N -1 3 347.375 2.890 20 5 EFBDHM CC[C@@H](CC(C)C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590424633 1093416424 /nfs/dbraw/zinc/41/64/24/1093416424.db2.gz KWXZWCJUCRQXPJ-NSHDSACASA-N -1 3 347.375 2.890 20 5 EFBDHM CC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@H]1CCCCO1 ZINC001590472747 1093444483 /nfs/dbraw/zinc/44/44/83/1093444483.db2.gz HFFWANALSAPASX-GXTWGEPZSA-N -1 3 332.364 2.535 20 5 EFBDHM CC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@H]1CCCCO1 ZINC001590472747 1093444488 /nfs/dbraw/zinc/44/44/88/1093444488.db2.gz HFFWANALSAPASX-GXTWGEPZSA-N -1 3 332.364 2.535 20 5 EFBDHM CCC1(CC)[C@@H](Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C[C@@H]1OC ZINC001590492653 1093454109 /nfs/dbraw/zinc/45/41/09/1093454109.db2.gz SOMHWZIBNPCIJA-KBPBESRZSA-N -1 3 346.391 2.781 20 5 EFBDHM CCC/C(C)=C/C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590543516 1093479202 /nfs/dbraw/zinc/47/92/02/1093479202.db2.gz NFOXZUSJSJYDNB-CSKARUKUSA-N -1 3 331.332 2.565 20 5 EFBDHM CCC/C(C)=C/C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590543516 1093479209 /nfs/dbraw/zinc/47/92/09/1093479209.db2.gz NFOXZUSJSJYDNB-CSKARUKUSA-N -1 3 331.332 2.565 20 5 EFBDHM CCCc1nc(C)c(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)o1 ZINC001590660423 1093533994 /nfs/dbraw/zinc/53/39/94/1093533994.db2.gz NKRUATWRHMXYHO-UHFFFAOYSA-N -1 3 343.347 2.636 20 5 EFBDHM CCCc1nc(C)c(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)o1 ZINC001590660423 1093534005 /nfs/dbraw/zinc/53/40/05/1093534005.db2.gz NKRUATWRHMXYHO-UHFFFAOYSA-N -1 3 343.347 2.636 20 5 EFBDHM CCc1ccc(CN(C)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC001590889075 1093617781 /nfs/dbraw/zinc/61/77/81/1093617781.db2.gz IUQUJZZRJGBIQI-UHFFFAOYSA-N -1 3 338.371 2.974 20 5 EFBDHM CCc1ccc(CN(C)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC001590889075 1093617787 /nfs/dbraw/zinc/61/77/87/1093617787.db2.gz IUQUJZZRJGBIQI-UHFFFAOYSA-N -1 3 338.371 2.974 20 5 EFBDHM CCc1ccc(OCCc2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])c1 ZINC001590891608 1093619740 /nfs/dbraw/zinc/61/97/40/1093619740.db2.gz RXCXPZWWHVDDQW-UHFFFAOYSA-N -1 3 339.355 2.959 20 5 EFBDHM CCc1ccc(OCCc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC001590891608 1093619746 /nfs/dbraw/zinc/61/97/46/1093619746.db2.gz RXCXPZWWHVDDQW-UHFFFAOYSA-N -1 3 339.355 2.959 20 5 EFBDHM CCc1cccc(Oc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)c1 ZINC001590895548 1093621476 /nfs/dbraw/zinc/62/14/76/1093621476.db2.gz GEPIPQMFXAUXGO-UHFFFAOYSA-N -1 3 326.316 2.712 20 5 EFBDHM CCc1cccc(Oc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)c1 ZINC001590895548 1093621480 /nfs/dbraw/zinc/62/14/80/1093621480.db2.gz GEPIPQMFXAUXGO-UHFFFAOYSA-N -1 3 326.316 2.712 20 5 EFBDHM CCc1nc(Sc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)sc1C ZINC001590924092 1093633724 /nfs/dbraw/zinc/63/37/24/1093633724.db2.gz VBSLRFYCQOKRFC-UHFFFAOYSA-N -1 3 349.401 2.648 20 5 EFBDHM CN(C)c1cc(F)cc(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001591029012 1093653058 /nfs/dbraw/zinc/65/30/58/1093653058.db2.gz PPTVDIIFQWAKOW-UHFFFAOYSA-N -1 3 343.322 2.724 20 5 EFBDHM CN(C)c1cc(F)cc(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001591029012 1093653065 /nfs/dbraw/zinc/65/30/65/1093653065.db2.gz PPTVDIIFQWAKOW-UHFFFAOYSA-N -1 3 343.322 2.724 20 5 EFBDHM CO[C@@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1CCCCC1 ZINC001591330970 1093694919 /nfs/dbraw/zinc/69/49/19/1093694919.db2.gz QUGYELRAHKNEIY-AWEZNQCLSA-N -1 3 346.391 2.782 20 5 EFBDHM CO[C@@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C1CCCCC1 ZINC001591330970 1093694923 /nfs/dbraw/zinc/69/49/23/1093694923.db2.gz QUGYELRAHKNEIY-AWEZNQCLSA-N -1 3 346.391 2.782 20 5 EFBDHM COC[C@@H](CC(C)(C)C)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001591373987 1093707626 /nfs/dbraw/zinc/70/76/26/1093707626.db2.gz CAZLTWZHCZZLST-LLVKDONJSA-N -1 3 334.380 2.638 20 5 EFBDHM COCc1cccc(Nc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001591458401 1093726654 /nfs/dbraw/zinc/72/66/54/1093726654.db2.gz ZJSFQHWLAFFIQL-UHFFFAOYSA-N -1 3 344.306 2.804 20 5 EFBDHM COCc1cccc(Nc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001591458401 1093726660 /nfs/dbraw/zinc/72/66/60/1093726660.db2.gz ZJSFQHWLAFFIQL-UHFFFAOYSA-N -1 3 344.306 2.804 20 5 EFBDHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(F)cc1[N+](=O)[O-] ZINC001591504333 1093742741 /nfs/dbraw/zinc/74/27/41/1093742741.db2.gz IUGGRACUYNYSCL-UHFFFAOYSA-N -1 3 331.263 2.715 20 5 EFBDHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(F)cc1[N+](=O)[O-] ZINC001591504333 1093742748 /nfs/dbraw/zinc/74/27/48/1093742748.db2.gz IUGGRACUYNYSCL-UHFFFAOYSA-N -1 3 331.263 2.715 20 5 EFBDHM COc1cc(CNc2cccc(F)c2[N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001591535324 1093756194 /nfs/dbraw/zinc/75/61/94/1093756194.db2.gz CZYUJWACQNDNDR-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM COc1cc(CNc2cccc(F)c2[N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001591535324 1093756198 /nfs/dbraw/zinc/75/61/98/1093756198.db2.gz CZYUJWACQNDNDR-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM COc1cc(Nc2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)ccc1F ZINC001591548056 1093763009 /nfs/dbraw/zinc/76/30/09/1093763009.db2.gz WOMCZDFLZPNJJP-UHFFFAOYSA-N -1 3 344.306 2.975 20 5 EFBDHM COc1cc(Nc2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)ccc1F ZINC001591548056 1093763012 /nfs/dbraw/zinc/76/30/12/1093763012.db2.gz WOMCZDFLZPNJJP-UHFFFAOYSA-N -1 3 344.306 2.975 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1OCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001591554805 1093766660 /nfs/dbraw/zinc/76/66/60/1093766660.db2.gz IIZLFKBXLNYJNX-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1OCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001591554805 1093766667 /nfs/dbraw/zinc/76/66/67/1093766667.db2.gz IIZLFKBXLNYJNX-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1ccc(OCc2ccc(F)cc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591620852 1093800948 /nfs/dbraw/zinc/80/09/48/1093800948.db2.gz XJHBHNVQBKRKSS-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1ccc(OCc2ccc(F)cc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591620852 1093800956 /nfs/dbraw/zinc/80/09/56/1093800956.db2.gz XJHBHNVQBKRKSS-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM C[C@H](NCc1ccc(-c2nnn[n-]2)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC001591770232 1093852013 /nfs/dbraw/zinc/85/20/13/1093852013.db2.gz WSOUFJPKQHOQPC-JTQLQIEISA-N -1 3 342.334 2.765 20 5 EFBDHM C[C@H](NCc1ccc(-c2nn[n-]n2)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC001591770232 1093852015 /nfs/dbraw/zinc/85/20/15/1093852015.db2.gz WSOUFJPKQHOQPC-JTQLQIEISA-N -1 3 342.334 2.765 20 5 EFBDHM C[C@H](OC(=O)c1cscc1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC001591770976 1093854016 /nfs/dbraw/zinc/85/40/16/1093854016.db2.gz FRXZWPTVERGFFZ-QMMMGPOBSA-N -1 3 345.340 2.754 20 5 EFBDHM C[C@H](OC(=O)c1cscc1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC001591770976 1093854022 /nfs/dbraw/zinc/85/40/22/1093854022.db2.gz FRXZWPTVERGFFZ-QMMMGPOBSA-N -1 3 345.340 2.754 20 5 EFBDHM Cc1c(NCCOc2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC001591829849 1093876112 /nfs/dbraw/zinc/87/61/12/1093876112.db2.gz ZHROIEUWAJIKCL-UHFFFAOYSA-N -1 3 340.343 2.574 20 5 EFBDHM Cc1cc(-c2nnn[n-]2)ccc1COc1cc([N+](=O)[O-])c(F)cc1F ZINC001591869441 1093904558 /nfs/dbraw/zinc/90/45/58/1093904558.db2.gz ZFCKOQVVWVZDSQ-UHFFFAOYSA-N -1 3 347.281 2.941 20 5 EFBDHM Cc1cc(-c2nn[n-]n2)ccc1COc1cc([N+](=O)[O-])c(F)cc1F ZINC001591869441 1093904563 /nfs/dbraw/zinc/90/45/63/1093904563.db2.gz ZFCKOQVVWVZDSQ-UHFFFAOYSA-N -1 3 347.281 2.941 20 5 EFBDHM Cc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc(C)c1-c1nnn[n-]1 ZINC001591934386 1093921713 /nfs/dbraw/zinc/92/17/13/1093921713.db2.gz SVPDRCWFUKNIRP-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM Cc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc(C)c1-c1nn[n-]n1 ZINC001591934386 1093921718 /nfs/dbraw/zinc/92/17/18/1093921718.db2.gz SVPDRCWFUKNIRP-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM Cc1cc(C)c(OC(=O)c2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC001591949163 1093928316 /nfs/dbraw/zinc/92/83/16/1093928316.db2.gz MLZWNDHEHAJSNL-UHFFFAOYSA-N -1 3 339.311 2.611 20 5 EFBDHM Cc1cc(C)c(OC(=O)c2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC001591949163 1093928321 /nfs/dbraw/zinc/92/83/21/1093928321.db2.gz MLZWNDHEHAJSNL-UHFFFAOYSA-N -1 3 339.311 2.611 20 5 EFBDHM Cc1cc(COc2ccc([N+](=O)[O-])cc2F)ccc1-c1nnn[n-]1 ZINC001591971946 1093940776 /nfs/dbraw/zinc/94/07/76/1093940776.db2.gz GGMZNLZPYHDGPP-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1cc(COc2ccc([N+](=O)[O-])cc2F)ccc1-c1nn[n-]n1 ZINC001591971946 1093940782 /nfs/dbraw/zinc/94/07/82/1093940782.db2.gz GGMZNLZPYHDGPP-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1cc(F)c(-c2nnn[n-]2)c(N2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001591979011 1093943398 /nfs/dbraw/zinc/94/33/98/1093943398.db2.gz FMIKGGGITPPUJV-UHFFFAOYSA-N -1 3 340.318 2.743 20 5 EFBDHM Cc1cc(F)c(-c2nn[n-]n2)c(N2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001591979011 1093943403 /nfs/dbraw/zinc/94/34/03/1093943403.db2.gz FMIKGGGITPPUJV-UHFFFAOYSA-N -1 3 340.318 2.743 20 5 EFBDHM Cc1cc(F)ccc1CCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591992435 1093950043 /nfs/dbraw/zinc/95/00/43/1093950043.db2.gz NTQJTESTJLXPOV-UHFFFAOYSA-N -1 3 342.334 2.877 20 5 EFBDHM Cc1cc(F)ccc1CCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591992435 1093950046 /nfs/dbraw/zinc/95/00/46/1093950046.db2.gz NTQJTESTJLXPOV-UHFFFAOYSA-N -1 3 342.334 2.877 20 5 EFBDHM Cc1cc(N[C@H]2CCS[C@H](C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592041156 1093963570 /nfs/dbraw/zinc/96/35/70/1093963570.db2.gz ZNUWBMXIUXYAJW-ZJUUUORDSA-N -1 3 334.405 2.779 20 5 EFBDHM Cc1cc(N[C@H]2CCS[C@H](C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592041156 1093963575 /nfs/dbraw/zinc/96/35/75/1093963575.db2.gz ZNUWBMXIUXYAJW-ZJUUUORDSA-N -1 3 334.405 2.779 20 5 EFBDHM Cc1cc(NCc2cc(C(C)C)no2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592052871 1093968789 /nfs/dbraw/zinc/96/87/89/1093968789.db2.gz WYSQWCBURPWUOI-UHFFFAOYSA-N -1 3 343.347 2.807 20 5 EFBDHM Cc1cc(NCc2cc(C(C)C)no2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592052871 1093968793 /nfs/dbraw/zinc/96/87/93/1093968793.db2.gz WYSQWCBURPWUOI-UHFFFAOYSA-N -1 3 343.347 2.807 20 5 EFBDHM Cc1cc(OCc2ccc(-c3nnn[n-]3)cc2F)ccc1[N+](=O)[O-] ZINC001592059233 1093970794 /nfs/dbraw/zinc/97/07/94/1093970794.db2.gz NVHDBFBUDSMIKF-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1cc(OCc2ccc(-c3nn[n-]n3)cc2F)ccc1[N+](=O)[O-] ZINC001592059233 1093970797 /nfs/dbraw/zinc/97/07/97/1093970797.db2.gz NVHDBFBUDSMIKF-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1cc(OCCc2ccc([N+](=O)[O-])cc2)ccc1-c1nn[n-]n1 ZINC001592058801 1093970863 /nfs/dbraw/zinc/97/08/63/1093970863.db2.gz HWZOPOISSADOKQ-UHFFFAOYSA-N -1 3 325.328 2.705 20 5 EFBDHM Cc1cc(Oc2ccc([N+](=O)[O-])cn2)c(C)c(C)c1-c1nn[n-]n1 ZINC001592062233 1093972687 /nfs/dbraw/zinc/97/26/87/1093972687.db2.gz FIWKFUVKLFAAEE-UHFFFAOYSA-N -1 3 326.316 2.887 20 5 EFBDHM Cc1ccc(F)c(CN(C)c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)c1 ZINC001592173989 1094015625 /nfs/dbraw/zinc/01/56/25/1094015625.db2.gz ZUZJPNAJDXNRNE-UHFFFAOYSA-N -1 3 342.334 2.859 20 5 EFBDHM Cc1ccc(F)c(OCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c1 ZINC001592172856 1094016207 /nfs/dbraw/zinc/01/62/07/1094016207.db2.gz DXYIIHDAEAYNBF-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1ccc(F)c(OCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c1 ZINC001592172856 1094016213 /nfs/dbraw/zinc/01/62/13/1094016213.db2.gz DXYIIHDAEAYNBF-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(OCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC001592198053 1094025992 /nfs/dbraw/zinc/02/59/92/1094025992.db2.gz VVWWATFPXQWEPR-UHFFFAOYSA-N -1 3 341.327 2.541 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(OCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC001592198053 1094025997 /nfs/dbraw/zinc/02/59/97/1094025997.db2.gz VVWWATFPXQWEPR-UHFFFAOYSA-N -1 3 341.327 2.541 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(OCc2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC001592197296 1094026009 /nfs/dbraw/zinc/02/60/09/1094026009.db2.gz HNUSGCNYYCGCTM-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(OCc2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC001592197296 1094026016 /nfs/dbraw/zinc/02/60/16/1094026016.db2.gz HNUSGCNYYCGCTM-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1ccccc1C1=CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001592253334 1094052175 /nfs/dbraw/zinc/05/21/75/1094052175.db2.gz RBYZRTROUPWSFO-UHFFFAOYSA-N -1 3 348.366 2.987 20 5 EFBDHM Cc1cccnc1[C@@H](C)Nc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592264429 1094058260 /nfs/dbraw/zinc/05/82/60/1094058260.db2.gz RHKXSGPXFWROCW-SECBINFHSA-N -1 3 343.322 2.791 20 5 EFBDHM Cc1cccnc1[C@@H](C)Nc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592264429 1094058267 /nfs/dbraw/zinc/05/82/67/1094058267.db2.gz RHKXSGPXFWROCW-SECBINFHSA-N -1 3 343.322 2.791 20 5 EFBDHM Cc1ncc([C@H](C)Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])s1 ZINC001592409181 1094101752 /nfs/dbraw/zinc/10/17/52/1094101752.db2.gz WPAYJYOLGAMGEZ-ZETCQYMHSA-N -1 3 331.361 2.713 20 5 EFBDHM Cc1ncc([C@H](C)Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])s1 ZINC001592409181 1094101754 /nfs/dbraw/zinc/10/17/54/1094101754.db2.gz WPAYJYOLGAMGEZ-ZETCQYMHSA-N -1 3 331.361 2.713 20 5 EFBDHM Cc1nnc(S/C=C\c2ccc([N+](=O)[O-])o2)c(-c2nnn[n-]2)c1C ZINC001592449643 1094105941 /nfs/dbraw/zinc/10/59/41/1094105941.db2.gz MIFCEJGWQOQRGW-WAYWQWQTSA-N -1 3 345.344 2.538 20 5 EFBDHM Cc1nnc(S/C=C\c2ccc([N+](=O)[O-])o2)c(-c2nn[n-]n2)c1C ZINC001592449643 1094105946 /nfs/dbraw/zinc/10/59/46/1094105946.db2.gz MIFCEJGWQOQRGW-WAYWQWQTSA-N -1 3 345.344 2.538 20 5 EFBDHM Cc1nsc(NC[C@H](C)c2ccccc2[N+](=O)[O-])c1-c1nnn[n-]1 ZINC001592486552 1094111153 /nfs/dbraw/zinc/11/11/53/1094111153.db2.gz LNZKCHZKJMHKEV-QMMMGPOBSA-N -1 3 345.388 2.755 20 5 EFBDHM O=Cc1ccc(Oc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c(F)c1 ZINC001593416164 1094306459 /nfs/dbraw/zinc/30/64/59/1094306459.db2.gz NOOYULPKRKZSPX-UHFFFAOYSA-N -1 3 329.247 2.519 20 5 EFBDHM O=Cc1ccc(Oc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c(F)c1 ZINC001593416164 1094306467 /nfs/dbraw/zinc/30/64/67/1094306467.db2.gz NOOYULPKRKZSPX-UHFFFAOYSA-N -1 3 329.247 2.519 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1Sc1cccc(O)c1 ZINC001593467754 1094311548 /nfs/dbraw/zinc/31/15/48/1094311548.db2.gz UMZIPPIGFBSUHO-UHFFFAOYSA-N -1 3 333.304 2.771 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NCc1ccccc1F ZINC001593467623 1094311644 /nfs/dbraw/zinc/31/16/44/1094311644.db2.gz APPXXJFWZGAGLL-UHFFFAOYSA-N -1 3 332.270 2.665 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NCc1ccccc1F ZINC001593467623 1094311650 /nfs/dbraw/zinc/31/16/50/1094311650.db2.gz APPXXJFWZGAGLL-UHFFFAOYSA-N -1 3 332.270 2.665 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1CC[C@H]2CCCC[C@H]2C1 ZINC001593469458 1094314359 /nfs/dbraw/zinc/31/43/59/1094314359.db2.gz RLZIDWRKQBRSMA-MNOVXSKESA-N -1 3 346.366 2.931 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1CC[C@H]2CCCC[C@H]2C1 ZINC001593469458 1094314368 /nfs/dbraw/zinc/31/43/68/1094314368.db2.gz RLZIDWRKQBRSMA-MNOVXSKESA-N -1 3 346.366 2.931 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1Oc1cc(F)cc(Cl)c1 ZINC001593473132 1094314948 /nfs/dbraw/zinc/31/49/48/1094314948.db2.gz MHCMMHWCMZJVRR-UHFFFAOYSA-N -1 3 336.670 2.755 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1Oc1cc(F)cc(Cl)c1 ZINC001593473132 1094314958 /nfs/dbraw/zinc/31/49/58/1094314958.db2.gz MHCMMHWCMZJVRR-UHFFFAOYSA-N -1 3 336.670 2.755 20 5 EFBDHM O=[N+]([O-])c1cc(N2CC(c3ccccc3F)C2)ccc1-c1nnn[n-]1 ZINC001593472130 1094315365 /nfs/dbraw/zinc/31/53/65/1094315365.db2.gz VVEZDXAAGLXXRW-UHFFFAOYSA-N -1 3 340.318 2.518 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CC(c2ccc(F)cc2)C1 ZINC001593473813 1094317239 /nfs/dbraw/zinc/31/72/39/1094317239.db2.gz BJRJOVHDGWWIQH-UHFFFAOYSA-N -1 3 340.318 2.518 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CC(c2ccc(F)cc2)C1 ZINC001593473813 1094317252 /nfs/dbraw/zinc/31/72/52/1094317252.db2.gz BJRJOVHDGWWIQH-UHFFFAOYSA-N -1 3 340.318 2.518 20 5 EFBDHM O=[N+]([O-])c1cc(Oc2cccc(-n3ccnc3)c2)ccc1-c1nnn[n-]1 ZINC001593474652 1094317387 /nfs/dbraw/zinc/31/73/87/1094317387.db2.gz ROQPCRCDHPOABB-UHFFFAOYSA-N -1 3 349.310 2.753 20 5 EFBDHM O=[N+]([O-])c1cc(NCc2cc3ccccc3[nH]2)ccc1-c1nnn[n-]1 ZINC001593473501 1094317581 /nfs/dbraw/zinc/31/75/81/1094317581.db2.gz FZJWFJDNWJABTI-UHFFFAOYSA-N -1 3 335.327 2.868 20 5 EFBDHM O=[N+]([O-])c1cc(N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)ccc1-c1nnn[n-]1 ZINC001593473679 1094318222 /nfs/dbraw/zinc/31/82/22/1094318222.db2.gz JHXWJPFZYRRCJC-USXIJHARSA-N -1 3 348.366 2.915 20 5 EFBDHM O=[N+]([O-])c1cc(OCc2cccc(-c3nnn[n-]3)c2)c(F)cc1F ZINC001593474613 1094319106 /nfs/dbraw/zinc/31/91/06/1094319106.db2.gz QGWBMRSNBIRYTF-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1cc(OCc2cccc(-c3nn[n-]n3)c2)c(F)cc1F ZINC001593474613 1094319117 /nfs/dbraw/zinc/31/91/17/1094319117.db2.gz QGWBMRSNBIRYTF-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1Cc2ccccc2C2(CC2)C1 ZINC001593475377 1094320013 /nfs/dbraw/zinc/32/00/13/1094320013.db2.gz OTEKTKCDECTJAU-UHFFFAOYSA-N -1 3 348.366 2.827 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1Cc2ccccc2C2(CC2)C1 ZINC001593475377 1094320020 /nfs/dbraw/zinc/32/00/20/1094320020.db2.gz OTEKTKCDECTJAU-UHFFFAOYSA-N -1 3 348.366 2.827 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N[C@H](C1CC1)[C@H]1CCCCO1 ZINC001593476456 1094320356 /nfs/dbraw/zinc/32/03/56/1094320356.db2.gz WCGIAEDALGSGJR-HUUCEWRRSA-N -1 3 344.375 2.535 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N[C@H](C1CC1)[C@H]1CCCCO1 ZINC001593476456 1094320370 /nfs/dbraw/zinc/32/03/70/1094320370.db2.gz WCGIAEDALGSGJR-HUUCEWRRSA-N -1 3 344.375 2.535 20 5 EFBDHM O=[N+]([O-])c1ccc(F)cc1COc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001593476549 1094321103 /nfs/dbraw/zinc/32/11/03/1094321103.db2.gz QRVOZXVSSOPPBE-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1ccc(F)cc1COc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001593476549 1094321117 /nfs/dbraw/zinc/32/11/17/1094321117.db2.gz QRVOZXVSSOPPBE-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N[C@@H]1C[C@H]1c1ccccc1F ZINC001593475685 1094321165 /nfs/dbraw/zinc/32/11/65/1094321165.db2.gz RULDOOZNNHEJRK-WCQYABFASA-N -1 3 340.318 2.882 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N[C@@H]1C[C@H]1c1ccccc1F ZINC001593475685 1094321173 /nfs/dbraw/zinc/32/11/73/1094321173.db2.gz RULDOOZNNHEJRK-WCQYABFASA-N -1 3 340.318 2.882 20 5 EFBDHM O=[N+]([O-])c1ccc(CSc2ncc(-c3nnn[n-]3)cc2F)cc1 ZINC001593475903 1094321602 /nfs/dbraw/zinc/32/16/02/1094321602.db2.gz SFPHBRQAPXEQKI-UHFFFAOYSA-N -1 3 332.320 2.601 20 5 EFBDHM O=[N+]([O-])c1ccc(CSc2ncc(-c3nn[n-]n3)cc2F)cc1 ZINC001593475903 1094321607 /nfs/dbraw/zinc/32/16/07/1094321607.db2.gz SFPHBRQAPXEQKI-UHFFFAOYSA-N -1 3 332.320 2.601 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CCC[C@H](C(F)(F)F)C2)c(-c2nnn[n-]2)c1 ZINC001593476720 1094321643 /nfs/dbraw/zinc/32/16/43/1094321643.db2.gz WCLUHDXTHTXUNW-QMMMGPOBSA-N -1 3 342.281 2.554 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CCC[C@H](C(F)(F)F)C2)c(-c2nn[n-]n2)c1 ZINC001593476720 1094321653 /nfs/dbraw/zinc/32/16/53/1094321653.db2.gz WCLUHDXTHTXUNW-QMMMGPOBSA-N -1 3 342.281 2.554 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N[C@@H](C1CC1)[C@H]1CCCCO1 ZINC001593479888 1094322778 /nfs/dbraw/zinc/32/27/78/1094322778.db2.gz BOFAJGQVBUMZJX-KGLIPLIRSA-N -1 3 344.375 2.535 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N[C@@H](C1CC1)[C@H]1CCCCO1 ZINC001593479888 1094322788 /nfs/dbraw/zinc/32/27/88/1094322788.db2.gz BOFAJGQVBUMZJX-KGLIPLIRSA-N -1 3 344.375 2.535 20 5 EFBDHM O=[N+]([O-])c1ccc2c(c1)CN(c1ccc(Cl)cc1-c1nnn[n-]1)C2 ZINC001593479526 1094323121 /nfs/dbraw/zinc/32/31/21/1094323121.db2.gz IVUZPSOSOSHVRB-UHFFFAOYSA-N -1 3 342.746 2.949 20 5 EFBDHM O=[N+]([O-])c1ccc2c(c1)CN(c1ccc(Cl)cc1-c1nn[n-]n1)C2 ZINC001593479526 1094323128 /nfs/dbraw/zinc/32/31/28/1094323128.db2.gz IVUZPSOSOSHVRB-UHFFFAOYSA-N -1 3 342.746 2.949 20 5 EFBDHM O=[N+]([O-])c1ccc(NC[C@H]2CCOC3(CCC3)C2)c(-c2nnn[n-]2)c1 ZINC001593478055 1094323724 /nfs/dbraw/zinc/32/37/24/1094323724.db2.gz QAOGUSGSXWYBME-NSHDSACASA-N -1 3 344.375 2.536 20 5 EFBDHM O=[N+]([O-])c1ccc(NC[C@H]2CCOC3(CCC3)C2)c(-c2nn[n-]n2)c1 ZINC001593478055 1094323726 /nfs/dbraw/zinc/32/37/26/1094323726.db2.gz QAOGUSGSXWYBME-NSHDSACASA-N -1 3 344.375 2.536 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCC1Cc2ccccc2C1 ZINC001593480303 1094325247 /nfs/dbraw/zinc/32/52/47/1094325247.db2.gz IWGZAOPIHSGHHD-UHFFFAOYSA-N -1 3 336.355 2.602 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCC1Cc2ccccc2C1 ZINC001593480303 1094325255 /nfs/dbraw/zinc/32/52/55/1094325255.db2.gz IWGZAOPIHSGHHD-UHFFFAOYSA-N -1 3 336.355 2.602 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N[C@H](C1CCC1)[C@@H]1CCCO1 ZINC001593480307 1094325290 /nfs/dbraw/zinc/32/52/90/1094325290.db2.gz IXQZDHLIDQUMQK-UONOGXRCSA-N -1 3 344.375 2.535 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N[C@H](C1CCC1)[C@@H]1CCCO1 ZINC001593480307 1094325296 /nfs/dbraw/zinc/32/52/96/1094325296.db2.gz IXQZDHLIDQUMQK-UONOGXRCSA-N -1 3 344.375 2.535 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCCc3cccnc32)c(-c2nnn[n-]2)c1 ZINC001593481837 1094325341 /nfs/dbraw/zinc/32/53/41/1094325341.db2.gz LPNQZPRPAVGTAF-CQSZACIVSA-N -1 3 337.343 2.659 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCCc3cccnc32)c(-c2nn[n-]n2)c1 ZINC001593481837 1094325352 /nfs/dbraw/zinc/32/53/52/1094325352.db2.gz LPNQZPRPAVGTAF-CQSZACIVSA-N -1 3 337.343 2.659 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CC[C@@H]2CCCC[C@H]2C1 ZINC001593481559 1094325646 /nfs/dbraw/zinc/32/56/46/1094325646.db2.gz RTMNFKUQBGFILV-RYUDHWBXSA-N -1 3 328.376 2.791 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CC[C@@H]2CCCC[C@H]2C1 ZINC001593481559 1094325653 /nfs/dbraw/zinc/32/56/53/1094325653.db2.gz RTMNFKUQBGFILV-RYUDHWBXSA-N -1 3 328.376 2.791 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCCCOc1ccccc1 ZINC001593483601 1094326153 /nfs/dbraw/zinc/32/61/53/1094326153.db2.gz XSOKOKCQACGVLL-UHFFFAOYSA-N -1 3 340.343 2.656 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCCCOc1ccccc1 ZINC001593483601 1094326165 /nfs/dbraw/zinc/32/61/65/1094326165.db2.gz XSOKOKCQACGVLL-UHFFFAOYSA-N -1 3 340.343 2.656 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CCC[C@H]1c1ccccn1 ZINC001593480649 1094326925 /nfs/dbraw/zinc/32/69/25/1094326925.db2.gz KLVKTVHXNWDONY-ZDUSSCGKSA-N -1 3 337.343 2.511 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CCC[C@H]1c1ccccn1 ZINC001593480649 1094326934 /nfs/dbraw/zinc/32/69/34/1094326934.db2.gz KLVKTVHXNWDONY-ZDUSSCGKSA-N -1 3 337.343 2.511 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCc1cc2ccccc2[nH]1 ZINC001593483237 1094327041 /nfs/dbraw/zinc/32/70/41/1094327041.db2.gz MUAMKIYFPBEBSZ-UHFFFAOYSA-N -1 3 335.327 2.868 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCc1cc2ccccc2[nH]1 ZINC001593483237 1094327047 /nfs/dbraw/zinc/32/70/47/1094327047.db2.gz MUAMKIYFPBEBSZ-UHFFFAOYSA-N -1 3 335.327 2.868 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CSCCC[C@@H]1CCOC1 ZINC001593483094 1094327435 /nfs/dbraw/zinc/32/74/35/1094327435.db2.gz UKXAMKRDWSLLMZ-LLVKDONJSA-N -1 3 349.416 2.825 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1CSCCC[C@@H]1CCOC1 ZINC001593483094 1094327445 /nfs/dbraw/zinc/32/74/45/1094327445.db2.gz UKXAMKRDWSLLMZ-LLVKDONJSA-N -1 3 349.416 2.825 20 5 EFBDHM O=[N+]([O-])c1ccccc1CN1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001593485574 1094330263 /nfs/dbraw/zinc/33/02/63/1094330263.db2.gz RJEDNWRZYHMEDL-UHFFFAOYSA-N -1 3 336.355 2.728 20 5 EFBDHM O=[N+]([O-])c1ncccc1N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001593487921 1094330525 /nfs/dbraw/zinc/33/05/25/1094330525.db2.gz OCDZUQOHFOUMLP-ZDUSSCGKSA-N -1 3 337.343 2.659 20 5 EFBDHM O=[N+]([O-])c1ncccc1N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001593487921 1094330535 /nfs/dbraw/zinc/33/05/35/1094330535.db2.gz OCDZUQOHFOUMLP-ZDUSSCGKSA-N -1 3 337.343 2.659 20 5 EFBDHM O=C([O-])[C@@H](Cc1cc2ccccc2o1)NCc1cccnc1[N+](=O)[O-] ZINC001601657708 1095789530 /nfs/dbraw/zinc/78/95/30/1095789530.db2.gz OZGWNDDNUBTMBI-CQSZACIVSA-N -1 3 341.323 2.522 20 5 EFBDHM O=C([O-])COc1ccc(CN2C[C@@H](C3CC3)[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC001602083789 1096052571 /nfs/dbraw/zinc/05/25/71/1096052571.db2.gz TUONOAMKABXZPR-KBXCAEBGSA-N -1 3 346.383 2.679 20 5 EFBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN[C@H]2CCc3ccccc3OC2)c1 ZINC001602403666 1096223763 /nfs/dbraw/zinc/22/37/63/1096223763.db2.gz LKRATJJEIWMSDH-HNNXBMFYSA-N -1 3 342.351 2.776 20 5 EFBDHM C[C@H](C(=O)Nc1sccc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC001603031200 1096420767 /nfs/dbraw/zinc/42/07/67/1096420767.db2.gz BPUGDLRQDQTFLX-QMMMGPOBSA-N -1 3 344.356 2.579 20 5 EFBDHM C[C@H](C(=O)Nc1sccc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC001603031200 1096420768 /nfs/dbraw/zinc/42/07/68/1096420768.db2.gz BPUGDLRQDQTFLX-QMMMGPOBSA-N -1 3 344.356 2.579 20 5 EFBDHM CC(C)(C)OCCSCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603104492 1096443635 /nfs/dbraw/zinc/44/36/35/1096443635.db2.gz KFRXJDZYRRZWSU-UHFFFAOYSA-N -1 3 337.405 2.823 20 5 EFBDHM CC(C)(C)OCCSCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603104492 1096443641 /nfs/dbraw/zinc/44/36/41/1096443641.db2.gz KFRXJDZYRRZWSU-UHFFFAOYSA-N -1 3 337.405 2.823 20 5 EFBDHM CC(C)(C)O[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001603104846 1096444068 /nfs/dbraw/zinc/44/40/68/1096444068.db2.gz YEDUCTYGGPLBCZ-HOMQSWHASA-N -1 3 332.364 2.533 20 5 EFBDHM CC(C)(C)O[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001603104846 1096444071 /nfs/dbraw/zinc/44/40/71/1096444071.db2.gz YEDUCTYGGPLBCZ-HOMQSWHASA-N -1 3 332.364 2.533 20 5 EFBDHM CC(C)(C)OC[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001603104444 1096444338 /nfs/dbraw/zinc/44/43/38/1096444338.db2.gz IRMUQVQZORBHRC-GFCCVEGCSA-N -1 3 346.391 2.559 20 5 EFBDHM CC(C)(C)OC[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001603104444 1096444343 /nfs/dbraw/zinc/44/43/43/1096444343.db2.gz IRMUQVQZORBHRC-GFCCVEGCSA-N -1 3 346.391 2.559 20 5 EFBDHM CC(C)(CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])c1ccncc1 ZINC001603150510 1096460495 /nfs/dbraw/zinc/46/04/95/1096460495.db2.gz AWUPWGDBMMTQDY-UHFFFAOYSA-N -1 3 339.359 2.560 20 5 EFBDHM CC(C)(CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])c1ccncc1 ZINC001603150510 1096460499 /nfs/dbraw/zinc/46/04/99/1096460499.db2.gz AWUPWGDBMMTQDY-UHFFFAOYSA-N -1 3 339.359 2.560 20 5 EFBDHM CC(C)[C@H]1C[C@H](CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CCO1 ZINC001603241834 1096482610 /nfs/dbraw/zinc/48/26/10/1096482610.db2.gz ZPSTYGIFZLJUEM-IAQYHMDHSA-N -1 3 346.391 2.638 20 5 EFBDHM CC(C)[C@H]1C[C@H](CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CCO1 ZINC001603241834 1096482615 /nfs/dbraw/zinc/48/26/15/1096482615.db2.gz ZPSTYGIFZLJUEM-IAQYHMDHSA-N -1 3 346.391 2.638 20 5 EFBDHM CC(C)[C@H]1CCN1c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001603245659 1096484606 /nfs/dbraw/zinc/48/46/06/1096484606.db2.gz KGMXBYOZFSYEHT-CQSZACIVSA-N -1 3 339.359 2.558 20 5 EFBDHM CC(C)[C@H]1CCN1c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001603245659 1096484608 /nfs/dbraw/zinc/48/46/08/1096484608.db2.gz KGMXBYOZFSYEHT-CQSZACIVSA-N -1 3 339.359 2.558 20 5 EFBDHM CC(C)[C@H]1OCCC[C@H]1CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001603253908 1096486817 /nfs/dbraw/zinc/48/68/17/1096486817.db2.gz RJGLYJDFFAMRKB-XHDPSFHLSA-N -1 3 346.391 2.638 20 5 EFBDHM CC(C)[C@H]1OCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001603253906 1096487219 /nfs/dbraw/zinc/48/72/19/1096487219.db2.gz RJGLYJDFFAMRKB-IAQYHMDHSA-N -1 3 346.391 2.638 20 5 EFBDHM CC(C)C[C@H](C)C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001603259619 1096488567 /nfs/dbraw/zinc/48/85/67/1096488567.db2.gz NIXMBXFPAZMBKV-JTQLQIEISA-N -1 3 333.348 2.500 20 5 EFBDHM CC(C)C[C@H](C)C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001603259619 1096488573 /nfs/dbraw/zinc/48/85/73/1096488573.db2.gz NIXMBXFPAZMBKV-JTQLQIEISA-N -1 3 333.348 2.500 20 5 EFBDHM C[C@@]1(C(F)(F)F)CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001603754624 1096614723 /nfs/dbraw/zinc/61/47/23/1096614723.db2.gz CVEKUNMZOSXGOK-GFCCVEGCSA-N -1 3 342.281 2.554 20 5 EFBDHM C[C@@]1(C(F)(F)F)CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001603754624 1096614728 /nfs/dbraw/zinc/61/47/28/1096614728.db2.gz CVEKUNMZOSXGOK-GFCCVEGCSA-N -1 3 342.281 2.554 20 5 EFBDHM CC1(C)CCC[C@H](CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])O1 ZINC001603773207 1096622308 /nfs/dbraw/zinc/62/23/08/1096622308.db2.gz CFBZJXRJYUKDSD-LLVKDONJSA-N -1 3 332.364 2.535 20 5 EFBDHM CC1(C)CCC[C@H](CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])O1 ZINC001603773207 1096622310 /nfs/dbraw/zinc/62/23/10/1096622310.db2.gz CFBZJXRJYUKDSD-LLVKDONJSA-N -1 3 332.364 2.535 20 5 EFBDHM CC1(C)CCC[C@@H]1C(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603774594 1096623973 /nfs/dbraw/zinc/62/39/73/1096623973.db2.gz XGMMQEYEDCSBMG-GFCCVEGCSA-N -1 3 345.359 2.644 20 5 EFBDHM CC1(C)CCC[C@@H]1C(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603774594 1096623975 /nfs/dbraw/zinc/62/39/75/1096623975.db2.gz XGMMQEYEDCSBMG-GFCCVEGCSA-N -1 3 345.359 2.644 20 5 EFBDHM CC1(C2CC2)CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001603794914 1096628651 /nfs/dbraw/zinc/62/86/51/1096628651.db2.gz BOPKQOKUKJPNSA-UHFFFAOYSA-N -1 3 328.376 2.791 20 5 EFBDHM CC1(C2CC2)CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001603794914 1096628659 /nfs/dbraw/zinc/62/86/59/1096628659.db2.gz BOPKQOKUKJPNSA-UHFFFAOYSA-N -1 3 328.376 2.791 20 5 EFBDHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)[C@@H]2CCCC[C@H]21 ZINC001603938637 1096676054 /nfs/dbraw/zinc/67/60/54/1096676054.db2.gz GAWHQBCNPTUXLN-SCDSUCTJSA-N -1 3 328.376 2.790 20 5 EFBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@](C)(CCF)C(=O)[O-] ZINC001603950889 1096680018 /nfs/dbraw/zinc/68/00/18/1096680018.db2.gz AEMQOGCFYHYJSW-OAHLLOKOSA-N -1 3 328.340 2.675 20 5 EFBDHM CC=C(C=CC(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])CC ZINC001603963729 1096684429 /nfs/dbraw/zinc/68/44/29/1096684429.db2.gz SCKWCXVLNQKTNG-GQHUZBHDSA-N -1 3 343.343 2.731 20 5 EFBDHM CC=C(C=CC(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])CC ZINC001603963729 1096684434 /nfs/dbraw/zinc/68/44/34/1096684434.db2.gz SCKWCXVLNQKTNG-GQHUZBHDSA-N -1 3 343.343 2.731 20 5 EFBDHM CC(C)[C@H](NCc1cc([N+](=O)[O-])ccc1Br)C(=O)[O-] ZINC001603980352 1096686063 /nfs/dbraw/zinc/68/60/63/1096686063.db2.gz CIFQJQBBFPWPAZ-NSHDSACASA-N -1 3 331.166 2.556 20 5 EFBDHM C[C@H](N[C@H]1CCC[C@@H]1C(=O)[O-])c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001604331253 1096815460 /nfs/dbraw/zinc/81/54/60/1096815460.db2.gz WFOCDYUBQTZSPM-XDTLVQLUSA-N -1 3 346.343 2.549 20 5 EFBDHM CCOc1cc(OCc2ccc(-c3nnn[n-]3)s2)ccc1[N+](=O)[O-] ZINC001604452342 1096862518 /nfs/dbraw/zinc/86/25/18/1096862518.db2.gz ULPXOAQVLLENOS-UHFFFAOYSA-N -1 3 347.356 2.814 20 5 EFBDHM CCOc1ccc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC001604462540 1096866408 /nfs/dbraw/zinc/86/64/08/1096866408.db2.gz DIPXOJYFELBGJG-UHFFFAOYSA-N -1 3 326.316 2.917 20 5 EFBDHM CCOc1ccc(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC001604462540 1096866416 /nfs/dbraw/zinc/86/64/16/1096866416.db2.gz DIPXOJYFELBGJG-UHFFFAOYSA-N -1 3 326.316 2.917 20 5 EFBDHM CCOc1ccccc1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604465170 1096868760 /nfs/dbraw/zinc/86/87/60/1096868760.db2.gz FGKGCTABXLPCGS-UHFFFAOYSA-N -1 3 340.343 2.786 20 5 EFBDHM CCOc1ccccc1CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604465170 1096868765 /nfs/dbraw/zinc/86/87/65/1096868765.db2.gz FGKGCTABXLPCGS-UHFFFAOYSA-N -1 3 340.343 2.786 20 5 EFBDHM CCOc1ccccc1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001604465660 1096868940 /nfs/dbraw/zinc/86/89/40/1096868940.db2.gz RVWNZWZZAZMNPE-UHFFFAOYSA-N -1 3 340.343 2.786 20 5 EFBDHM CCOc1ccccc1CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001604465660 1096868946 /nfs/dbraw/zinc/86/89/46/1096868946.db2.gz RVWNZWZZAZMNPE-UHFFFAOYSA-N -1 3 340.343 2.786 20 5 EFBDHM CCSCCSCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604481010 1096874466 /nfs/dbraw/zinc/87/44/66/1096874466.db2.gz JIWPGDOMYJBMIB-UHFFFAOYSA-N -1 3 325.419 2.761 20 5 EFBDHM CCSCCSCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604481010 1096874473 /nfs/dbraw/zinc/87/44/73/1096874473.db2.gz JIWPGDOMYJBMIB-UHFFFAOYSA-N -1 3 325.419 2.761 20 5 EFBDHM CCSCC[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001604481672 1096874941 /nfs/dbraw/zinc/87/49/41/1096874941.db2.gz MEQPEJRWSASQPQ-SNVBAGLBSA-N -1 3 336.421 2.743 20 5 EFBDHM C[C@@H]1C[C@H](Nc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CN1C1CC1 ZINC001604677420 1096929623 /nfs/dbraw/zinc/92/96/23/1096929623.db2.gz ROXDQICIXAUIHR-BDAKNGLRSA-N -1 3 339.779 2.984 20 5 EFBDHM CN(C[C@H]1CC=CCC1)c1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604728961 1096942537 /nfs/dbraw/zinc/94/25/37/1096942537.db2.gz IOHZABQHEKTICJ-JTQLQIEISA-N -1 3 332.339 2.707 20 5 EFBDHM CN(C[C@H]1CC=CCC1)c1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604728961 1096942542 /nfs/dbraw/zinc/94/25/42/1096942542.db2.gz IOHZABQHEKTICJ-JTQLQIEISA-N -1 3 332.339 2.707 20 5 EFBDHM CN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CC(OC(C)(C)C)C1 ZINC001604830394 1096966906 /nfs/dbraw/zinc/96/69/06/1096966906.db2.gz YZTSIWQQWWPVOI-UHFFFAOYSA-N -1 3 346.391 2.557 20 5 EFBDHM CN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CC(OC(C)(C)C)C1 ZINC001604830394 1096966910 /nfs/dbraw/zinc/96/69/10/1096966910.db2.gz YZTSIWQQWWPVOI-UHFFFAOYSA-N -1 3 346.391 2.557 20 5 EFBDHM CO[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CCCCC1 ZINC001605010339 1096999960 /nfs/dbraw/zinc/99/99/60/1096999960.db2.gz ZWPWQLHLSLFUHJ-HNNXBMFYSA-N -1 3 346.391 2.782 20 5 EFBDHM CO[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CCCCC1 ZINC001605010339 1096999966 /nfs/dbraw/zinc/99/99/66/1096999966.db2.gz ZWPWQLHLSLFUHJ-HNNXBMFYSA-N -1 3 346.391 2.782 20 5 EFBDHM CCC1(CC)[C@H](OC)C[C@@H]1NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001605136995 1097032567 /nfs/dbraw/zinc/03/25/67/1097032567.db2.gz HLICQKTWLZRKDI-LSDHHAIUSA-N -1 3 336.388 2.976 20 5 EFBDHM COc1cc(-c2nn[n-]n2)ccc1NCc1cccc([N+](=O)[O-])c1C ZINC001605176709 1097043454 /nfs/dbraw/zinc/04/34/54/1097043454.db2.gz YVZWIPSHCFLTRJ-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1OCc1cc(-c2nnn[n-]2)ccc1F ZINC001605238768 1097064765 /nfs/dbraw/zinc/06/47/65/1097064765.db2.gz NNFDGUNYSXFMAD-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1OCc1cc(-c2nn[n-]n2)ccc1F ZINC001605238768 1097064768 /nfs/dbraw/zinc/06/47/68/1097064768.db2.gz NNFDGUNYSXFMAD-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1cccc(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])c1C ZINC001605318059 1097094763 /nfs/dbraw/zinc/09/47/63/1097094763.db2.gz JVXANVMLAKRXJU-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM COc1cccc(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])c1C ZINC001605318059 1097094769 /nfs/dbraw/zinc/09/47/69/1097094769.db2.gz JVXANVMLAKRXJU-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM CS[C@@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001605379916 1097111250 /nfs/dbraw/zinc/11/12/50/1097111250.db2.gz DYORBNCNERXMLO-CHWSQXEVSA-N -1 3 334.405 2.861 20 5 EFBDHM CS[C@@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001605379916 1097111252 /nfs/dbraw/zinc/11/12/52/1097111252.db2.gz DYORBNCNERXMLO-CHWSQXEVSA-N -1 3 334.405 2.861 20 5 EFBDHM Cc1cc(-c2nnn[n-]2)ccc1-c1nnc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001605534589 1097150660 /nfs/dbraw/zinc/15/06/60/1097150660.db2.gz HHLCIKJJKWSKBM-UHFFFAOYSA-N -1 3 349.310 2.800 20 5 EFBDHM Cc1cc(-c2nn[n-]n2)ccc1-c1nnc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001605534589 1097150661 /nfs/dbraw/zinc/15/06/61/1097150661.db2.gz HHLCIKJJKWSKBM-UHFFFAOYSA-N -1 3 349.310 2.800 20 5 EFBDHM Cc1cc(-c2nnn[n-]2)ccc1COc1c(Cl)cncc1[N+](=O)[O-] ZINC001605541279 1097154746 /nfs/dbraw/zinc/15/47/46/1097154746.db2.gz HSVAUPTWLLOTOM-UHFFFAOYSA-N -1 3 346.734 2.711 20 5 EFBDHM Cc1cc(-c2nn[n-]n2)ccc1COc1c(Cl)cncc1[N+](=O)[O-] ZINC001605541279 1097154751 /nfs/dbraw/zinc/15/47/51/1097154751.db2.gz HSVAUPTWLLOTOM-UHFFFAOYSA-N -1 3 346.734 2.711 20 5 EFBDHM Cc1cc(-c2nn[n-]n2)ccc1Oc1nc2ccccn2c1[N+](=O)[O-] ZINC001605545720 1097156332 /nfs/dbraw/zinc/15/63/32/1097156332.db2.gz HKUQWJUFRBESRM-UHFFFAOYSA-N -1 3 337.299 2.523 20 5 EFBDHM Cc1cc(C(=O)Oc2cccc([N+](=O)[O-])c2)cc(C)c1-c1nnn[n-]1 ZINC001605630656 1097173056 /nfs/dbraw/zinc/17/30/56/1097173056.db2.gz RANAAVAZTQVVFG-UHFFFAOYSA-N -1 3 339.311 2.611 20 5 EFBDHM Cc1cc(C(=O)Oc2cccc([N+](=O)[O-])c2)cc(C)c1-c1nn[n-]n1 ZINC001605630656 1097173059 /nfs/dbraw/zinc/17/30/59/1097173059.db2.gz RANAAVAZTQVVFG-UHFFFAOYSA-N -1 3 339.311 2.611 20 5 EFBDHM Cc1cc(N[C@@H]2CCO[C@H](C(C)C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605723240 1097207734 /nfs/dbraw/zinc/20/77/34/1097207734.db2.gz KKRHTKIYUVSOBK-ABAIWWIYSA-N -1 3 346.391 2.699 20 5 EFBDHM Cc1cc(N[C@@H]2CCO[C@H](C(C)C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605723240 1097207738 /nfs/dbraw/zinc/20/77/38/1097207738.db2.gz KKRHTKIYUVSOBK-ABAIWWIYSA-N -1 3 346.391 2.699 20 5 EFBDHM Cc1cc(NCc2ccc(-c3nnn[n-]3)c(F)c2)c(F)cc1[N+](=O)[O-] ZINC001605740608 1097211622 /nfs/dbraw/zinc/21/16/22/1097211622.db2.gz QUVIDMUXVFPOGC-UHFFFAOYSA-N -1 3 346.297 2.974 20 5 EFBDHM Cc1cc(NCc2ccc(-c3nn[n-]n3)c(F)c2)c(F)cc1[N+](=O)[O-] ZINC001605740608 1097211628 /nfs/dbraw/zinc/21/16/28/1097211628.db2.gz QUVIDMUXVFPOGC-UHFFFAOYSA-N -1 3 346.297 2.974 20 5 EFBDHM Cc1cc(N[C@H](C)c2ccc([N+](=O)[O-])cc2)ncc1-c1nnn[n-]1 ZINC001605740219 1097211686 /nfs/dbraw/zinc/21/16/86/1097211686.db2.gz TWTXCZMWRDWUQK-SNVBAGLBSA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1cc(N[C@H](C)c2ccc([N+](=O)[O-])cc2)ncc1-c1nn[n-]n1 ZINC001605740219 1097211689 /nfs/dbraw/zinc/21/16/89/1097211689.db2.gz TWTXCZMWRDWUQK-SNVBAGLBSA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1ccc(F)c(CN(C)c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])c1 ZINC001605862619 1097258306 /nfs/dbraw/zinc/25/83/06/1097258306.db2.gz WJEZTRVUASKVGI-UHFFFAOYSA-N -1 3 342.334 2.859 20 5 EFBDHM Cc1ccc(F)c(CN(C)c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])c1 ZINC001605862619 1097258313 /nfs/dbraw/zinc/25/83/13/1097258313.db2.gz WJEZTRVUASKVGI-UHFFFAOYSA-N -1 3 342.334 2.859 20 5 EFBDHM Cc1ccc(OCCc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC001605879103 1097263755 /nfs/dbraw/zinc/26/37/55/1097263755.db2.gz ACSIUYXSIUQHJO-UHFFFAOYSA-N -1 3 325.328 2.705 20 5 EFBDHM Cc1ccc(OCCc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC001605879103 1097263759 /nfs/dbraw/zinc/26/37/59/1097263759.db2.gz ACSIUYXSIUQHJO-UHFFFAOYSA-N -1 3 325.328 2.705 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(-c2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC001605884613 1097264593 /nfs/dbraw/zinc/26/45/93/1097264593.db2.gz QRBZJDMAQJREGG-UHFFFAOYSA-N -1 3 349.310 2.800 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(-c2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC001605884613 1097264597 /nfs/dbraw/zinc/26/45/97/1097264597.db2.gz QRBZJDMAQJREGG-UHFFFAOYSA-N -1 3 349.310 2.800 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC001605884493 1097264815 /nfs/dbraw/zinc/26/48/15/1097264815.db2.gz IISZSAMEIXSNLD-UHFFFAOYSA-N -1 3 340.343 2.574 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(N[C@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)c1 ZINC001605884419 1097265310 /nfs/dbraw/zinc/26/53/10/1097265310.db2.gz DMFBDUGFNVIURK-AWEZNQCLSA-N -1 3 336.355 2.663 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(N[C@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)c1 ZINC001605884419 1097265315 /nfs/dbraw/zinc/26/53/15/1097265315.db2.gz DMFBDUGFNVIURK-AWEZNQCLSA-N -1 3 336.355 2.663 20 5 EFBDHM Cc1cccc2c1CCN(c1c(-c3nnn[n-]3)cccc1[N+](=O)[O-])C2 ZINC001605931188 1097278693 /nfs/dbraw/zinc/27/86/93/1097278693.db2.gz UYZQNCPOFDRWMZ-UHFFFAOYSA-N -1 3 336.355 2.646 20 5 EFBDHM Cc1cccc2c1CCN(c1c(-c3nn[n-]n3)cccc1[N+](=O)[O-])C2 ZINC001605931188 1097278695 /nfs/dbraw/zinc/27/86/95/1097278695.db2.gz UYZQNCPOFDRWMZ-UHFFFAOYSA-N -1 3 336.355 2.646 20 5 EFBDHM Cc1cccnc1CCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001605947710 1097283836 /nfs/dbraw/zinc/28/38/36/1097283836.db2.gz WWGFYTPGVASAOF-UHFFFAOYSA-N -1 3 339.359 2.523 20 5 EFBDHM Cc1cccnc1CCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001605947710 1097283837 /nfs/dbraw/zinc/28/38/37/1097283837.db2.gz WWGFYTPGVASAOF-UHFFFAOYSA-N -1 3 339.359 2.523 20 5 EFBDHM Cc1csc([C@H](C)Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)n1 ZINC001606001820 1097295070 /nfs/dbraw/zinc/29/50/70/1097295070.db2.gz WZTGVPCAZXWFQT-QMMMGPOBSA-N -1 3 331.361 2.713 20 5 EFBDHM Cc1csc(Sc2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)n1 ZINC001606006691 1097295853 /nfs/dbraw/zinc/29/58/53/1097295853.db2.gz BHNDSBZKSABLSM-UHFFFAOYSA-N -1 3 334.386 2.999 20 5 EFBDHM Cc1csc(Sc2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)n1 ZINC001606006691 1097295857 /nfs/dbraw/zinc/29/58/57/1097295857.db2.gz BHNDSBZKSABLSM-UHFFFAOYSA-N -1 3 334.386 2.999 20 5 EFBDHM O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001606929479 1097474739 /nfs/dbraw/zinc/47/47/39/1097474739.db2.gz ZESJAURBMOJEQF-UHFFFAOYSA-N -1 3 344.718 2.681 20 5 EFBDHM O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001606929479 1097474744 /nfs/dbraw/zinc/47/47/44/1097474744.db2.gz ZESJAURBMOJEQF-UHFFFAOYSA-N -1 3 344.718 2.681 20 5 EFBDHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001606988029 1097490564 /nfs/dbraw/zinc/49/05/64/1097490564.db2.gz NJKIIMLZEMEPKC-UHFFFAOYSA-N -1 3 345.702 2.648 20 5 EFBDHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001606988029 1097490567 /nfs/dbraw/zinc/49/05/67/1097490567.db2.gz NJKIIMLZEMEPKC-UHFFFAOYSA-N -1 3 345.702 2.648 20 5 EFBDHM O=Cc1ccc(Oc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c(F)c1F ZINC001607056920 1097503885 /nfs/dbraw/zinc/50/38/85/1097503885.db2.gz XGOCAVGGZWJNBG-UHFFFAOYSA-N -1 3 347.237 2.658 20 5 EFBDHM O=Cc1ccc(Oc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c(F)c1F ZINC001607056920 1097503888 /nfs/dbraw/zinc/50/38/88/1097503888.db2.gz XGOCAVGGZWJNBG-UHFFFAOYSA-N -1 3 347.237 2.658 20 5 EFBDHM O=Cc1ccc(Oc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c(F)c1F ZINC001607056833 1097504134 /nfs/dbraw/zinc/50/41/34/1097504134.db2.gz RQAPKPIYWUNBOY-UHFFFAOYSA-N -1 3 347.237 2.658 20 5 EFBDHM O=Cc1ccc(Oc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c(F)c1F ZINC001607056833 1097504137 /nfs/dbraw/zinc/50/41/37/1097504137.db2.gz RQAPKPIYWUNBOY-UHFFFAOYSA-N -1 3 347.237 2.658 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1CC(C2CCCC2)C1 ZINC001607077704 1097505076 /nfs/dbraw/zinc/50/50/76/1097505076.db2.gz CXQZRZVLWOIHIV-UHFFFAOYSA-N -1 3 332.339 2.540 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1CC(C2CCCC2)C1 ZINC001607077704 1097505080 /nfs/dbraw/zinc/50/50/80/1097505080.db2.gz CXQZRZVLWOIHIV-UHFFFAOYSA-N -1 3 332.339 2.540 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N[C@@H]1C[C@H]1c1ccccc1 ZINC001607077190 1097505109 /nfs/dbraw/zinc/50/51/09/1097505109.db2.gz IEVDLVUAEWEHTF-GXFFZTMASA-N -1 3 340.318 2.882 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N[C@@H]1C[C@H]1c1ccccc1 ZINC001607077190 1097505114 /nfs/dbraw/zinc/50/51/14/1097505114.db2.gz IEVDLVUAEWEHTF-GXFFZTMASA-N -1 3 340.318 2.882 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1CCC[C@H](C2CCC2)C1 ZINC001607077667 1097505743 /nfs/dbraw/zinc/50/57/43/1097505743.db2.gz CJKFOSXLMPMZGV-NSHDSACASA-N -1 3 346.366 2.931 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1CCC[C@H](C2CCC2)C1 ZINC001607077667 1097505748 /nfs/dbraw/zinc/50/57/48/1097505748.db2.gz CJKFOSXLMPMZGV-NSHDSACASA-N -1 3 346.366 2.931 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCCOC1CCCC1 ZINC001607078656 1097506335 /nfs/dbraw/zinc/50/63/35/1097506335.db2.gz AHWNMVXEOHRLRE-UHFFFAOYSA-N -1 3 332.364 2.536 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCCOC1CCCC1 ZINC001607078656 1097506344 /nfs/dbraw/zinc/50/63/44/1097506344.db2.gz AHWNMVXEOHRLRE-UHFFFAOYSA-N -1 3 332.364 2.536 20 5 EFBDHM O=[N+]([O-])c1cc(N2CCc3cccc(F)c32)ccc1-c1nnn[n-]1 ZINC001607078813 1097506428 /nfs/dbraw/zinc/50/64/28/1097506428.db2.gz OCOQGRLGGONYGD-UHFFFAOYSA-N -1 3 326.291 2.608 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N[C@@H]1C[C@H]1C1CCCCC1 ZINC001607079177 1097506492 /nfs/dbraw/zinc/50/64/92/1097506492.db2.gz XBMNVMBHIQXGFN-NWDGAFQWSA-N -1 3 329.364 2.551 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N[C@@H]1C[C@H]1C1CCCCC1 ZINC001607079177 1097506495 /nfs/dbraw/zinc/50/64/95/1097506495.db2.gz XBMNVMBHIQXGFN-NWDGAFQWSA-N -1 3 329.364 2.551 20 5 EFBDHM O=[N+]([O-])c1cc(NCCC[C@@H]2CCCC[C@H]2O)ccc1-c1nnn[n-]1 ZINC001607078863 1097506542 /nfs/dbraw/zinc/50/65/42/1097506542.db2.gz ATPAMXIVMXBNPU-XHDPSFHLSA-N -1 3 346.391 2.518 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1CCC[C@H](C2CC2)C1 ZINC001607078288 1097506554 /nfs/dbraw/zinc/50/65/54/1097506554.db2.gz SVAUWRJUTCVVJC-JTQLQIEISA-N -1 3 332.339 2.540 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1CCC[C@H](C2CC2)C1 ZINC001607078288 1097506558 /nfs/dbraw/zinc/50/65/58/1097506558.db2.gz SVAUWRJUTCVVJC-JTQLQIEISA-N -1 3 332.339 2.540 20 5 EFBDHM O=[N+]([O-])c1cc(Oc2cc(F)ccc2-c2nnn[n-]2)cc([N+](=O)[O-])c1 ZINC001607079587 1097506964 /nfs/dbraw/zinc/50/69/64/1097506964.db2.gz JYWOJHRTIPLIKN-UHFFFAOYSA-N -1 3 346.234 2.615 20 5 EFBDHM O=[N+]([O-])c1cc(Oc2cc(F)ccc2-c2nn[n-]n2)cc([N+](=O)[O-])c1 ZINC001607079587 1097506967 /nfs/dbraw/zinc/50/69/67/1097506967.db2.gz JYWOJHRTIPLIKN-UHFFFAOYSA-N -1 3 346.234 2.615 20 5 EFBDHM O=[N+]([O-])c1cc(N2CCc3ccc(F)cc32)ccc1-c1nnn[n-]1 ZINC001607079019 1097507445 /nfs/dbraw/zinc/50/74/45/1097507445.db2.gz VCMFKEQFIWKEQX-UHFFFAOYSA-N -1 3 326.291 2.608 20 5 EFBDHM O=[N+]([O-])c1cc(F)cc(Oc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])c1 ZINC001607079310 1097507452 /nfs/dbraw/zinc/50/74/52/1097507452.db2.gz ZYOFOAFFBKUHSU-UHFFFAOYSA-N -1 3 346.234 2.615 20 5 EFBDHM O=[N+]([O-])c1cc(F)cc(Oc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])c1 ZINC001607079310 1097507456 /nfs/dbraw/zinc/50/74/56/1097507456.db2.gz ZYOFOAFFBKUHSU-UHFFFAOYSA-N -1 3 346.234 2.615 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N[C@@H]1CCCc2sccc21 ZINC001607079703 1097507477 /nfs/dbraw/zinc/50/74/77/1097507477.db2.gz CWGABIHAQAKCNP-SNVBAGLBSA-N -1 3 343.372 2.721 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N[C@@H]1CCCc2sccc21 ZINC001607079703 1097507480 /nfs/dbraw/zinc/50/74/80/1097507480.db2.gz CWGABIHAQAKCNP-SNVBAGLBSA-N -1 3 343.372 2.721 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@@H](C2CC2)[C@H]2CCCCO2)c(-c2nnn[n-]2)c1 ZINC001607082962 1097508161 /nfs/dbraw/zinc/50/81/61/1097508161.db2.gz YJGXEWWURYUXRY-CABCVRRESA-N -1 3 344.375 2.535 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@@H](C2CC2)[C@H]2CCCCO2)c(-c2nn[n-]n2)c1 ZINC001607082962 1097508166 /nfs/dbraw/zinc/50/81/66/1097508166.db2.gz YJGXEWWURYUXRY-CABCVRRESA-N -1 3 344.375 2.535 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CCCc2sccc2C1 ZINC001607081958 1097508371 /nfs/dbraw/zinc/50/83/71/1097508371.db2.gz MFVYXHNGXIANIX-UHFFFAOYSA-N -1 3 342.384 2.789 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CCCc2sccc2C1 ZINC001607081958 1097508377 /nfs/dbraw/zinc/50/83/77/1097508377.db2.gz MFVYXHNGXIANIX-UHFFFAOYSA-N -1 3 342.384 2.789 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NC[C@@H]1CCc2ccccc21 ZINC001607081927 1097508450 /nfs/dbraw/zinc/50/84/50/1097508450.db2.gz LIRXICVNDJIXTQ-ZDUSSCGKSA-N -1 3 336.355 2.917 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NC[C@@H]1CCc2ccccc21 ZINC001607081927 1097508455 /nfs/dbraw/zinc/50/84/55/1097508455.db2.gz LIRXICVNDJIXTQ-ZDUSSCGKSA-N -1 3 336.355 2.917 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@@H](c2ccccn2)C2CC2)c(-c2nnn[n-]2)c1 ZINC001607081414 1097508771 /nfs/dbraw/zinc/50/87/71/1097508771.db2.gz BWRTUJKTYMZIBF-OAHLLOKOSA-N -1 3 337.343 2.733 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@@H](c2ccccn2)C2CC2)c(-c2nn[n-]n2)c1 ZINC001607081414 1097508776 /nfs/dbraw/zinc/50/87/76/1097508776.db2.gz BWRTUJKTYMZIBF-OAHLLOKOSA-N -1 3 337.343 2.733 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CCC(c2ccco2)CC1 ZINC001607084059 1097509770 /nfs/dbraw/zinc/50/97/70/1097509770.db2.gz RWPKBDHRIYHBQK-UHFFFAOYSA-N -1 3 340.343 2.752 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CCC(c2ccco2)CC1 ZINC001607084059 1097509775 /nfs/dbraw/zinc/50/97/75/1097509775.db2.gz RWPKBDHRIYHBQK-UHFFFAOYSA-N -1 3 340.343 2.752 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CC[C@@H](CC(F)(F)F)C1 ZINC001607083417 1097509852 /nfs/dbraw/zinc/50/98/52/1097509852.db2.gz FPBZGJNXLUWBHA-QMMMGPOBSA-N -1 3 342.281 2.554 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CC[C@@H](CC(F)(F)F)C1 ZINC001607083417 1097509858 /nfs/dbraw/zinc/50/98/58/1097509858.db2.gz FPBZGJNXLUWBHA-QMMMGPOBSA-N -1 3 342.281 2.554 20 5 EFBDHM O=[N+]([O-])c1cnc(NC2CCC(C3CCC3)CC2)c(-c2nnn[n-]2)c1 ZINC001607086234 1097510120 /nfs/dbraw/zinc/51/01/20/1097510120.db2.gz HVWPCKUJHTURKF-UHFFFAOYSA-N -1 3 343.391 2.941 20 5 EFBDHM O=[N+]([O-])c1cnc(NC2CCC(C3CCC3)CC2)c(-c2nn[n-]n2)c1 ZINC001607086234 1097510127 /nfs/dbraw/zinc/51/01/27/1097510127.db2.gz HVWPCKUJHTURKF-UHFFFAOYSA-N -1 3 343.391 2.941 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCc1ccc(F)c(F)c1 ZINC001607084758 1097510170 /nfs/dbraw/zinc/51/01/70/1097510170.db2.gz XBVVAYMYPXUNFX-UHFFFAOYSA-N -1 3 332.270 2.665 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCc1ccc(F)c(F)c1 ZINC001607084758 1097510175 /nfs/dbraw/zinc/51/01/75/1097510175.db2.gz XBVVAYMYPXUNFX-UHFFFAOYSA-N -1 3 332.270 2.665 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N[C@@H](C1CCC1)[C@@H]1CCCO1 ZINC001607083060 1097510242 /nfs/dbraw/zinc/51/02/42/1097510242.db2.gz VSITVSXMUBQSKH-GJZGRUSLSA-N -1 3 344.375 2.535 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N[C@@H](C1CCC1)[C@@H]1CCCO1 ZINC001607083060 1097510249 /nfs/dbraw/zinc/51/02/49/1097510249.db2.gz VSITVSXMUBQSKH-GJZGRUSLSA-N -1 3 344.375 2.535 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CSCc1ccccn1 ZINC001607083621 1097510318 /nfs/dbraw/zinc/51/03/18/1097510318.db2.gz KDCPSMAJQAJNBG-UHFFFAOYSA-N -1 3 328.357 2.603 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1CSCc1ccccn1 ZINC001607083621 1097510324 /nfs/dbraw/zinc/51/03/24/1097510324.db2.gz KDCPSMAJQAJNBG-UHFFFAOYSA-N -1 3 328.357 2.603 20 5 EFBDHM O=C([O-])C12CCC(CC1)N2Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001608583934 1097961314 /nfs/dbraw/zinc/96/13/14/1097961314.db2.gz MDROMOOYZRBCLA-UHFFFAOYSA-N -1 3 343.339 2.831 20 5 EFBDHM CC(C)O[C@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1(C)C ZINC001609100894 1098144581 /nfs/dbraw/zinc/14/45/81/1098144581.db2.gz LAPGXRUDYGRETI-KGLIPLIRSA-N -1 3 346.391 2.779 20 5 EFBDHM CC(C)O[C@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1(C)C ZINC001609100894 1098144582 /nfs/dbraw/zinc/14/45/82/1098144582.db2.gz LAPGXRUDYGRETI-KGLIPLIRSA-N -1 3 346.391 2.779 20 5 EFBDHM C[C@H]1CC[C@]2(CCN(c3ccc(-c4nnn[n-]4)c([N+](=O)[O-])c3)C2)C1 ZINC001609162960 1098175849 /nfs/dbraw/zinc/17/58/49/1098175849.db2.gz ONQDIBOPERCQQF-ZBEGNZNMSA-N -1 3 328.376 2.791 20 5 EFBDHM C[C@H]1CC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)c([N+](=O)[O-])c3)C2)C1 ZINC001609162959 1098175927 /nfs/dbraw/zinc/17/59/27/1098175927.db2.gz ONQDIBOPERCQQF-MEDUHNTESA-N -1 3 328.376 2.791 20 5 EFBDHM C[C@@H]1CC[C@@H]1Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001609162924 1098176615 /nfs/dbraw/zinc/17/66/15/1098176615.db2.gz NUAOAXJRMIJYIS-PELKAZGASA-N -1 3 325.332 2.534 20 5 EFBDHM C[C@@H]1CC[C@@H]1Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001609162924 1098176618 /nfs/dbraw/zinc/17/66/18/1098176618.db2.gz NUAOAXJRMIJYIS-PELKAZGASA-N -1 3 325.332 2.534 20 5 EFBDHM C[C@H]1CC[C@@]2(CCN(c3cc(-c4nnn[n-]4)ccc3[N+](=O)[O-])C2)C1 ZINC001609163101 1098177276 /nfs/dbraw/zinc/17/72/76/1098177276.db2.gz RXTPWIFRKSONQV-MEDUHNTESA-N -1 3 328.376 2.791 20 5 EFBDHM C[C@H]1CC[C@@]2(CCN(c3cc(-c4nn[n-]n4)ccc3[N+](=O)[O-])C2)C1 ZINC001609163101 1098177280 /nfs/dbraw/zinc/17/72/80/1098177280.db2.gz RXTPWIFRKSONQV-MEDUHNTESA-N -1 3 328.376 2.791 20 5 EFBDHM CC[C@@H](CC(F)(F)F)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001609188567 1098189351 /nfs/dbraw/zinc/18/93/51/1098189351.db2.gz UVQLELHMJYPTIE-QMMMGPOBSA-N -1 3 330.270 2.918 20 5 EFBDHM CC[C@@H](CC(F)(F)F)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001609188567 1098189354 /nfs/dbraw/zinc/18/93/54/1098189354.db2.gz UVQLELHMJYPTIE-QMMMGPOBSA-N -1 3 330.270 2.918 20 5 EFBDHM CCC1(CNc2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)CCOCC1 ZINC001609197598 1098194201 /nfs/dbraw/zinc/19/42/01/1098194201.db2.gz KERLYQCXSUGTSD-UHFFFAOYSA-N -1 3 346.391 2.702 20 5 EFBDHM CCC1(CNc2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)CCOCC1 ZINC001609197598 1098194205 /nfs/dbraw/zinc/19/42/05/1098194205.db2.gz KERLYQCXSUGTSD-UHFFFAOYSA-N -1 3 346.391 2.702 20 5 EFBDHM CCN(CC(C)C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001609222198 1098210864 /nfs/dbraw/zinc/21/08/64/1098210864.db2.gz QKBIETAJFKUNML-UHFFFAOYSA-N -1 3 341.375 2.805 20 5 EFBDHM CCN(CC(C)C)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001609222198 1098210870 /nfs/dbraw/zinc/21/08/70/1098210870.db2.gz QKBIETAJFKUNML-UHFFFAOYSA-N -1 3 341.375 2.805 20 5 EFBDHM CCN(Cc1occc1C)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609227007 1098212594 /nfs/dbraw/zinc/21/25/94/1098212594.db2.gz YSIRCROCJOVDMN-UHFFFAOYSA-N -1 3 328.332 2.703 20 5 EFBDHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc([N+](=O)[O-])cc1 ZINC001609245014 1098220266 /nfs/dbraw/zinc/22/02/66/1098220266.db2.gz PVONKBXYYZDFQJ-UHFFFAOYSA-N -1 3 340.343 2.786 20 5 EFBDHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc([N+](=O)[O-])cc1 ZINC001609245014 1098220270 /nfs/dbraw/zinc/22/02/70/1098220270.db2.gz PVONKBXYYZDFQJ-UHFFFAOYSA-N -1 3 340.343 2.786 20 5 EFBDHM CN(Cc1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1F ZINC001609280385 1098238079 /nfs/dbraw/zinc/23/80/79/1098238079.db2.gz WQLXTXYKYTZSHZ-UHFFFAOYSA-N -1 3 328.307 2.550 20 5 EFBDHM CN(Cc1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1F ZINC001609280385 1098238082 /nfs/dbraw/zinc/23/80/82/1098238082.db2.gz WQLXTXYKYTZSHZ-UHFFFAOYSA-N -1 3 328.307 2.550 20 5 EFBDHM COC1(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CCC(C)CC1 ZINC001609312111 1098245007 /nfs/dbraw/zinc/24/50/07/1098245007.db2.gz RWVREEOWSNCUMQ-UHFFFAOYSA-N -1 3 346.391 2.782 20 5 EFBDHM COc1cc(CNc2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])cc1F ZINC001609345736 1098259234 /nfs/dbraw/zinc/25/92/34/1098259234.db2.gz YHGRPBXBIWEKBD-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM COc1cc(CNc2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])cc1F ZINC001609345736 1098259236 /nfs/dbraw/zinc/25/92/36/1098259236.db2.gz YHGRPBXBIWEKBD-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM COc1ccc([C@H](C)Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)cc1 ZINC001609352566 1098262156 /nfs/dbraw/zinc/26/21/56/1098262156.db2.gz HUVNRFRLZGYVOM-JTQLQIEISA-N -1 3 340.343 2.957 20 5 EFBDHM Cc1cc(NC[C@@H](C)CC(F)F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609409541 1098296546 /nfs/dbraw/zinc/29/65/46/1098296546.db2.gz NHXZPULPVXBUGQ-ZETCQYMHSA-N -1 3 326.307 2.787 20 5 EFBDHM Cc1cc(NC[C@@H](C)CC(F)F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609409541 1098296552 /nfs/dbraw/zinc/29/65/52/1098296552.db2.gz NHXZPULPVXBUGQ-ZETCQYMHSA-N -1 3 326.307 2.787 20 5 EFBDHM Cc1cc(NC[C@H](CCO)CC(C)C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609409771 1098297456 /nfs/dbraw/zinc/29/74/56/1098297456.db2.gz WOVQPJHURFFWTA-GFCCVEGCSA-N -1 3 348.407 2.540 20 5 EFBDHM Cc1cc(NC[C@H](CCO)CC(C)C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609409771 1098297461 /nfs/dbraw/zinc/29/74/61/1098297461.db2.gz WOVQPJHURFFWTA-GFCCVEGCSA-N -1 3 348.407 2.540 20 5 EFBDHM Cc1ccc(-c2noc(-c3ccc(-c4nnn[n-]4)cc3)n2)cc1[N+](=O)[O-] ZINC001609417078 1098303054 /nfs/dbraw/zinc/30/30/54/1098303054.db2.gz KYNMEWBTRPHCCD-UHFFFAOYSA-N -1 3 349.310 2.800 20 5 EFBDHM Cc1ccc(-c2noc(-c3ccc(-c4nn[n-]n4)cc3)n2)cc1[N+](=O)[O-] ZINC001609417078 1098303061 /nfs/dbraw/zinc/30/30/61/1098303061.db2.gz KYNMEWBTRPHCCD-UHFFFAOYSA-N -1 3 349.310 2.800 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1OC(=O)c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001609428191 1098313574 /nfs/dbraw/zinc/31/35/74/1098313574.db2.gz MEYKUCJKDDTLTR-UHFFFAOYSA-N -1 3 339.311 2.611 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1OC(=O)c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001609428191 1098313581 /nfs/dbraw/zinc/31/35/81/1098313581.db2.gz MEYKUCJKDDTLTR-UHFFFAOYSA-N -1 3 339.311 2.611 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1OCc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001609428370 1098314323 /nfs/dbraw/zinc/31/43/23/1098314323.db2.gz ZFDOKIVTBHIDSG-UHFFFAOYSA-N -1 3 325.328 2.971 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1OCc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001609428370 1098314328 /nfs/dbraw/zinc/31/43/28/1098314328.db2.gz ZFDOKIVTBHIDSG-UHFFFAOYSA-N -1 3 325.328 2.971 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N[C@H]1CCOC2(CCCC2)C1 ZINC001609601596 1098396660 /nfs/dbraw/zinc/39/66/60/1098396660.db2.gz PORKPNWAWUXBDQ-LBPRGKRZSA-N -1 3 344.375 2.679 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N[C@H]1CCOC2(CCCC2)C1 ZINC001609601596 1098396666 /nfs/dbraw/zinc/39/66/66/1098396666.db2.gz PORKPNWAWUXBDQ-LBPRGKRZSA-N -1 3 344.375 2.679 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCCCOC1CCCC1 ZINC001609602800 1098396700 /nfs/dbraw/zinc/39/67/00/1098396700.db2.gz ISGKQTDPZFWESE-UHFFFAOYSA-N -1 3 332.364 2.536 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCCCOC1CCCC1 ZINC001609602800 1098396708 /nfs/dbraw/zinc/39/67/08/1098396708.db2.gz ISGKQTDPZFWESE-UHFFFAOYSA-N -1 3 332.364 2.536 20 5 EFBDHM O=[N+]([O-])c1cnc(NCc2cccc(C(F)F)c2)c(-c2nnn[n-]2)c1 ZINC001609603508 1098396841 /nfs/dbraw/zinc/39/68/41/1098396841.db2.gz JDPGGZOENKRVSU-UHFFFAOYSA-N -1 3 347.285 2.720 20 5 EFBDHM O=[N+]([O-])c1cnc(NCc2cccc(C(F)F)c2)c(-c2nn[n-]n2)c1 ZINC001609603508 1098396849 /nfs/dbraw/zinc/39/68/49/1098396849.db2.gz JDPGGZOENKRVSU-UHFFFAOYSA-N -1 3 347.285 2.720 20 5 EFBDHM C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(OCC(=O)[O-])cc1 ZINC001609781470 1098456016 /nfs/dbraw/zinc/45/60/16/1098456016.db2.gz MKVXPEDTAOXUMV-GFCCVEGCSA-N -1 3 330.340 2.909 20 5 EFBDHM C[C@H](NCc1cccc([N+](=O)[O-])c1)c1ccc(OCC(=O)[O-])cc1 ZINC001609780286 1098456593 /nfs/dbraw/zinc/45/65/93/1098456593.db2.gz GYJIVWHGJOIYDW-LBPRGKRZSA-N -1 3 330.340 2.909 20 5 EFBDHM O=C([O-])[C@@H](NC/C=C\c1ccccc1[N+](=O)[O-])c1cccc(O)c1 ZINC001610719419 1098845610 /nfs/dbraw/zinc/84/56/10/1098845610.db2.gz XQNCMPZIKFYADK-OUOZUETKSA-N -1 3 328.324 2.729 20 5 EFBDHM O=C([O-])[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC001610718915 1098846072 /nfs/dbraw/zinc/84/60/72/1098846072.db2.gz IJTBHZWJRXYUKZ-CYBMUJFWSA-N -1 3 333.369 2.671 20 5 EFBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[C@@H](C[C@H]3CCOC3)C2)c1 ZINC001610842417 1098928265 /nfs/dbraw/zinc/92/82/65/1098928265.db2.gz WQRJYNFJVNOARG-UONOGXRCSA-N -1 3 348.399 2.932 20 5 EFBDHM CCCCC(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC1 ZINC001104363154 1102215009 /nfs/dbraw/zinc/21/50/09/1102215009.db2.gz BBJUZCAIBYTKPX-UHFFFAOYSA-N -1 3 336.392 2.727 20 5 EFBDHM O=c1cc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)nc(C2CC2)[n-]1 ZINC000904332357 1107823840 /nfs/dbraw/zinc/82/38/40/1107823840.db2.gz DUZLAAMQDARSMT-UHFFFAOYSA-N -1 3 325.284 2.685 20 5 EFBDHM CCN(CCNc1ccc([N+](=O)[O-])c(C)n1)C(=O)c1ccccc1[O-] ZINC001106694739 1111723313 /nfs/dbraw/zinc/72/33/13/1111723313.db2.gz ALZNKXFLFGMKJM-UHFFFAOYSA-N -1 3 344.371 2.578 20 5 EFBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)/C=C\C(C)(C)C ZINC001106706473 1111741445 /nfs/dbraw/zinc/74/14/45/1111741445.db2.gz BTZPPXJSTKQPGV-VURMDHGXSA-N -1 3 336.392 2.558 20 5 EFBDHM O=C(NCCC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1)C1CCCC1 ZINC001089884800 1119786153 /nfs/dbraw/zinc/78/61/53/1119786153.db2.gz LTOWCRYRUYUWPW-UHFFFAOYSA-N -1 3 348.403 2.584 20 5 EFBDHM CCn1nc(C)c(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1C ZINC000172823172 230828759 /nfs/dbraw/zinc/82/87/59/230828759.db2.gz IXQMUOUITCTBIR-UHFFFAOYSA-N -1 3 328.332 2.557 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC1(c2ccccc2)CCC1 ZINC000040024859 213252617 /nfs/dbraw/zinc/25/26/17/213252617.db2.gz LHWDIPLAXFVIEU-UHFFFAOYSA-N -1 3 346.408 2.995 20 5 EFBDHM C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])[C@H](c1ccccc1)N(C)C ZINC000436891454 299248178 /nfs/dbraw/zinc/24/81/78/299248178.db2.gz ISLIROQYVQEZMY-BLLLJJGKSA-N -1 3 343.383 2.722 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000036390001 213094802 /nfs/dbraw/zinc/09/48/02/213094802.db2.gz AKQRJPFTDGYASR-NQBHXWOUSA-N -1 3 342.417 2.706 20 5 EFBDHM O=C([N-]c1n[nH]c(-c2ccccc2F)n1)c1csc([N+](=O)[O-])c1 ZINC000171809043 239157999 /nfs/dbraw/zinc/15/79/99/239157999.db2.gz IIUAWHDJUADCJA-UHFFFAOYSA-N -1 3 333.304 2.833 20 5 EFBDHM O=C([N-]c1n[nH]cc1-c1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])o1 ZINC000174813077 239243702 /nfs/dbraw/zinc/24/37/02/239243702.db2.gz FLCLCKVPKPXSLT-UHFFFAOYSA-N -1 3 342.267 2.559 20 5 EFBDHM O=C(Nc1ccc(Br)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000344710256 284297083 /nfs/dbraw/zinc/29/70/83/284297083.db2.gz MRTLZEYWHCZCJH-UHFFFAOYSA-N -1 3 338.117 2.710 20 5 EFBDHM O=C(Nc1ccc2c(=O)cc[nH]c2c1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000357099264 284319526 /nfs/dbraw/zinc/31/95/26/284319526.db2.gz KVNDYJCOGNGYNR-UHFFFAOYSA-N -1 3 349.306 2.565 20 5 EFBDHM C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)N(C)Cc1ccccc1 ZINC000111631020 220172488 /nfs/dbraw/zinc/17/24/88/220172488.db2.gz XQVHWEWQNMASSB-ZDUSSCGKSA-N -1 3 343.383 2.551 20 5 EFBDHM COc1cc([N+](=O)[O-])c(C(=O)[N-]O[C@@H]2CCCCO2)cc1SC ZINC000264211641 246189741 /nfs/dbraw/zinc/18/97/41/246189741.db2.gz URBHEEDMKQXASU-CYBMUJFWSA-N -1 3 342.373 2.513 20 5 EFBDHM COc1cccc([C@H](CC(=O)[O-])NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000426805044 247300996 /nfs/dbraw/zinc/30/09/96/247300996.db2.gz YHHJDSNBAHHKHX-INIZCTEOSA-N -1 3 330.340 2.909 20 5 EFBDHM O=C([N-]c1ccncc1F)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000439253676 249808592 /nfs/dbraw/zinc/80/85/92/249808592.db2.gz COIPSLGJHHOSQL-UHFFFAOYSA-N -1 3 338.298 2.865 20 5 EFBDHM CCCOc1cc([O-])ccc1NC(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000444405404 250298598 /nfs/dbraw/zinc/29/85/98/250298598.db2.gz YUWXKCFOYLHXQD-UHFFFAOYSA-N -1 3 334.332 2.627 20 5 EFBDHM CO[C@H]1CCC[C@@H](C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)C1 ZINC000449832047 251171263 /nfs/dbraw/zinc/17/12/63/251171263.db2.gz AEJIHXCGFKHZDY-OCCSQVGLSA-N -1 3 344.371 2.551 20 5 EFBDHM O=C(C[C@@H]1CC[C@H]2C[C@H]21)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000449837129 251172385 /nfs/dbraw/zinc/17/23/85/251172385.db2.gz XUJCRFOVZDHVJR-COPLHBTASA-N -1 3 326.356 2.782 20 5 EFBDHM CCc1[n-][nH]c(=NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])c1C ZINC000449850554 251176463 /nfs/dbraw/zinc/17/64/63/251176463.db2.gz NLAULYZBCBABKU-UHFFFAOYSA-N -1 3 342.277 2.882 20 5 EFBDHM CS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000117374775 221058482 /nfs/dbraw/zinc/05/84/82/221058482.db2.gz NJNITKJAKQQGIR-MNOVXSKESA-N -1 3 330.431 2.547 20 5 EFBDHM CSCCCCCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000182897132 533548818 /nfs/dbraw/zinc/54/88/18/533548818.db2.gz AMUYVNDVYUYQRS-UHFFFAOYSA-N -1 3 332.447 2.797 20 5 EFBDHM CCSCCC[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000337216768 141548982 /nfs/dbraw/zinc/54/89/82/141548982.db2.gz ZOTLVYMAFWCJJF-UHFFFAOYSA-N -1 3 332.447 2.633 20 5 EFBDHM Cc1cc(S(=O)(=O)[N-]C2CC(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000344957198 142103111 /nfs/dbraw/zinc/10/31/11/142103111.db2.gz RKCJHHHLKAVZQD-UHFFFAOYSA-N -1 3 338.307 2.522 20 5 EFBDHM Cc1ccc([O-])c(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)n1 ZINC000345921795 142118219 /nfs/dbraw/zinc/11/82/19/142118219.db2.gz DWWZVDOAIIMEBP-UHFFFAOYSA-N -1 3 339.254 2.858 20 5 EFBDHM Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc2[nH]ncc21 ZINC000346496580 142212231 /nfs/dbraw/zinc/21/22/31/142212231.db2.gz YJQNQKQWDAWJHK-UHFFFAOYSA-N -1 3 346.368 2.889 20 5 EFBDHM CCc1cccnc1C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000347626419 142247387 /nfs/dbraw/zinc/24/73/87/142247387.db2.gz WYNUAKLPLXZGTO-UHFFFAOYSA-N -1 3 337.339 2.617 20 5 EFBDHM Cn1cnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)n1 ZINC000349413732 142328239 /nfs/dbraw/zinc/32/82/39/142328239.db2.gz OICWBVDQOBQTRF-UHFFFAOYSA-N -1 3 339.311 2.768 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCCCS2)c1C ZINC000343959773 145333887 /nfs/dbraw/zinc/33/38/87/145333887.db2.gz ACAZNTCGPWAVQK-LBPRGKRZSA-N -1 3 344.458 2.776 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2nc(C)ccc2[O-])c1 ZINC000344112410 145370703 /nfs/dbraw/zinc/37/07/03/145370703.db2.gz IXKAGHAGDWCXRQ-UHFFFAOYSA-N -1 3 331.328 2.720 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]CCCc2cccc(C)n2)c([N+](=O)[O-])c1 ZINC000351996355 146258982 /nfs/dbraw/zinc/25/89/82/146258982.db2.gz UGAMHWSITQMGTD-UHFFFAOYSA-N -1 3 349.412 2.518 20 5 EFBDHM O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1csc(=O)[n-]1 ZINC000352064886 146280518 /nfs/dbraw/zinc/28/05/18/146280518.db2.gz DNWKYPZBCNZBHV-UHFFFAOYSA-N -1 3 347.274 2.706 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000352128696 146296437 /nfs/dbraw/zinc/29/64/37/146296437.db2.gz ZXLANVYTOZXFEY-IJLUTSLNSA-N -1 3 342.417 2.706 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000352128697 146296710 /nfs/dbraw/zinc/29/67/10/146296710.db2.gz ZXLANVYTOZXFEY-QJPTWQEYSA-N -1 3 342.417 2.706 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1C[C@@H]1Cc1ccccc1 ZINC000352934578 146352076 /nfs/dbraw/zinc/35/20/76/146352076.db2.gz HOFIYSRMTJPYEE-UONOGXRCSA-N -1 3 332.381 2.504 20 5 EFBDHM Cc1ccc(C(C)(C)[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cn1 ZINC000353007873 146372535 /nfs/dbraw/zinc/37/25/35/146372535.db2.gz ZFDLQEMAMOBODM-UHFFFAOYSA-N -1 3 349.412 2.820 20 5 EFBDHM Cc1ncc(CNc2ccc([N+](=O)[O-])cc2Br)c(=O)[n-]1 ZINC000355672216 147030577 /nfs/dbraw/zinc/03/05/77/147030577.db2.gz RCNMHOJNXCWWAD-UHFFFAOYSA-N -1 3 339.149 2.773 20 5 EFBDHM CCc1ncc(S(=O)(=O)[N-][C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000359245228 148035223 /nfs/dbraw/zinc/03/52/23/148035223.db2.gz RWPHUQFPSPBRRU-SECBINFHSA-N -1 3 341.414 2.653 20 5 EFBDHM COc1c(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)cccc1[N+](=O)[O-] ZINC000359269768 148041279 /nfs/dbraw/zinc/04/12/79/148041279.db2.gz MLVHKYZGCIFFDE-UHFFFAOYSA-N -1 3 338.323 2.668 20 5 EFBDHM Cc1ccc([O-])c(C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000359612453 148139800 /nfs/dbraw/zinc/13/98/00/148139800.db2.gz OAHIENTVHLYRHW-UHFFFAOYSA-N -1 3 328.324 2.644 20 5 EFBDHM O=[N+]([O-])c1c(NCc2nnc(C(F)(F)F)[n-]2)ccc2ncccc21 ZINC000359690767 148164233 /nfs/dbraw/zinc/16/42/33/148164233.db2.gz WLYJRSNIYGOGQW-UHFFFAOYSA-N -1 3 338.249 2.892 20 5 EFBDHM O=[N+]([O-])c1c(NCc2n[n-]c(C(F)(F)F)n2)ccc2ncccc21 ZINC000359690767 148164235 /nfs/dbraw/zinc/16/42/35/148164235.db2.gz WLYJRSNIYGOGQW-UHFFFAOYSA-N -1 3 338.249 2.892 20 5 EFBDHM O=[N+]([O-])c1c(NCc2nc(C(F)(F)F)n[n-]2)ccc2ncccc21 ZINC000359690767 148164237 /nfs/dbraw/zinc/16/42/37/148164237.db2.gz WLYJRSNIYGOGQW-UHFFFAOYSA-N -1 3 338.249 2.892 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2(C(F)F)CC2)c1C ZINC000359754602 148180737 /nfs/dbraw/zinc/18/07/37/148180737.db2.gz BCCFCATWNKAOJJ-UHFFFAOYSA-N -1 3 334.344 2.535 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2(C(F)F)CC2)cc1C ZINC000359795860 148192020 /nfs/dbraw/zinc/19/20/20/148192020.db2.gz DQOHDOCAPARICD-UHFFFAOYSA-N -1 3 334.344 2.535 20 5 EFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H]2CCCCS2)c1[N+](=O)[O-] ZINC000359996835 148245646 /nfs/dbraw/zinc/24/56/46/148245646.db2.gz YCAKBLUPUREGAL-LBPRGKRZSA-N -1 3 344.458 2.776 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)Cc2ccncc2)c1C ZINC000360234509 148307275 /nfs/dbraw/zinc/30/72/75/148307275.db2.gz NUVWDCDNGWVPSV-GFCCVEGCSA-N -1 3 349.412 2.516 20 5 EFBDHM COc1ccc(-c2ccc(CN[C@H](C)CC(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000362345552 148803918 /nfs/dbraw/zinc/80/39/18/148803918.db2.gz GQMKJMARHBBDLX-SNVBAGLBSA-N -1 3 334.328 2.816 20 5 EFBDHM CCO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000452063486 286205735 /nfs/dbraw/zinc/20/57/35/286205735.db2.gz BJDIOYDZDFNGCX-TZMCWYRMSA-N -1 3 342.417 2.529 20 5 EFBDHM COc1cccc([C@@H]([N-]c2ncc([N+](=O)[O-])s2)c2nccn2C)c1 ZINC000374496343 151357124 /nfs/dbraw/zinc/35/71/24/151357124.db2.gz NMOGRBRWURYXOF-CYBMUJFWSA-N -1 3 345.384 2.995 20 5 EFBDHM Cc1ccc([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2[O-])N(C)C)cc1 ZINC000436928953 292254793 /nfs/dbraw/zinc/25/47/93/292254793.db2.gz UCRGZFLDWBJSJJ-INIZCTEOSA-N -1 3 343.383 2.642 20 5 EFBDHM Cc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])N(C)C)cc1 ZINC000436867112 292254911 /nfs/dbraw/zinc/25/49/11/292254911.db2.gz AQWLPHRJITZWDQ-INIZCTEOSA-N -1 3 343.383 2.642 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)c2ccc([O-])cc2)c1C ZINC000194207116 292291148 /nfs/dbraw/zinc/29/11/48/292291148.db2.gz CARRHTNADOQWET-UHFFFAOYSA-N -1 3 336.369 2.742 20 5 EFBDHM CCSCC[C@H](C)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000174070444 286701135 /nfs/dbraw/zinc/70/11/35/286701135.db2.gz MHMBQBFPAKZEON-NSHDSACASA-N -1 3 332.447 2.713 20 5 EFBDHM COc1c(F)cc(S(=O)(=O)[N-]C2CCCCCC2)cc1[N+](=O)[O-] ZINC000186185395 265058291 /nfs/dbraw/zinc/05/82/91/265058291.db2.gz OMQBFWYAKBYDOB-UHFFFAOYSA-N -1 3 346.380 2.744 20 5 EFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000186334461 265061666 /nfs/dbraw/zinc/06/16/66/265061666.db2.gz TXQKTHKWMDYWCD-UWVGGRQHSA-N -1 3 346.380 2.600 20 5 EFBDHM O=C([N-]c1nc2ccc(F)cn2n1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000085742255 272992003 /nfs/dbraw/zinc/99/20/03/272992003.db2.gz DWVQJBHOJOFSGR-UHFFFAOYSA-N -1 3 335.682 2.682 20 5 EFBDHM C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272555623 266306478 /nfs/dbraw/zinc/30/64/78/266306478.db2.gz MTQPNCFOBCKWRY-ZDUSSCGKSA-N -1 3 343.383 2.551 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)c2nccs2)cc1C ZINC000106237606 273005144 /nfs/dbraw/zinc/00/51/44/273005144.db2.gz CBHDOPGCQBJPNX-JTQLQIEISA-N -1 3 341.414 2.708 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1(C)CCCCC1 ZINC000193823103 273064968 /nfs/dbraw/zinc/06/49/68/273064968.db2.gz QJHHWBNALXSMSL-UHFFFAOYSA-N -1 3 328.390 2.605 20 5 EFBDHM Cc1ccc([O-])c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)n1 ZINC000280201468 273301670 /nfs/dbraw/zinc/30/16/70/273301670.db2.gz VFITWTVKDFWXFW-UHFFFAOYSA-N -1 3 342.355 2.856 20 5 EFBDHM CCc1ccc([C@@H](O)CNCc2cc(OC)c([O-])cc2[N+](=O)[O-])cc1 ZINC000285545715 274022381 /nfs/dbraw/zinc/02/23/81/274022381.db2.gz QHUGTZYIJFDZBY-KRWDZBQOSA-N -1 3 346.383 2.695 20 5 EFBDHM CCCN(CCN1CCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000286052018 274124046 /nfs/dbraw/zinc/12/40/46/274124046.db2.gz AXQPHKHWIFDNKX-UHFFFAOYSA-N -1 3 335.404 2.639 20 5 EFBDHM C[C@@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000288620293 274630934 /nfs/dbraw/zinc/63/09/34/274630934.db2.gz MEXBHQSUYOAAMW-ZBEGNZNMSA-N -1 3 348.380 2.536 20 5 EFBDHM CC[C@H](CSC)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000190110290 287909062 /nfs/dbraw/zinc/90/90/62/287909062.db2.gz DSICIHLDNGSWGU-LLVKDONJSA-N -1 3 332.447 2.632 20 5 EFBDHM CN1CCN(C(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c2ccccc21 ZINC000111072170 277100596 /nfs/dbraw/zinc/10/05/96/277100596.db2.gz SMLKBRRTHQNOFU-UHFFFAOYSA-N -1 3 337.339 2.568 20 5 EFBDHM COc1nnccc1[N-]C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000346500610 278103178 /nfs/dbraw/zinc/10/31/78/278103178.db2.gz UINGZPBTMMPDCQ-UHFFFAOYSA-N -1 3 342.233 2.665 20 5 EFBDHM CCN(CC)[C@@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccco1 ZINC000269179881 279147505 /nfs/dbraw/zinc/14/75/05/279147505.db2.gz KVJIIOILVJZJIY-HNNXBMFYSA-N -1 3 347.371 2.706 20 5 EFBDHM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000354676299 280138127 /nfs/dbraw/zinc/13/81/27/280138127.db2.gz UBQOIDIVGQLPCJ-QMMMGPOBSA-N -1 3 326.296 2.604 20 5 EFBDHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000427133835 281985459 /nfs/dbraw/zinc/98/54/59/281985459.db2.gz SFCNILBHKRFWLP-UHFFFAOYSA-N -1 3 346.343 2.654 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H](C)c2nccs2)cc1[N+](=O)[O-] ZINC000127083558 293058563 /nfs/dbraw/zinc/05/85/63/293058563.db2.gz HPIQBHUKMZBJES-SSDOTTSWSA-N -1 3 347.443 2.503 20 5 EFBDHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000134284100 293284398 /nfs/dbraw/zinc/28/43/98/293284398.db2.gz LCFMMHSIRXDRCC-UHFFFAOYSA-N -1 3 347.327 2.503 20 5 EFBDHM CCOC(=O)c1csc([N-]C(=O)c2ccc(F)cc2[N+](=O)[O-])n1 ZINC000159023541 293592961 /nfs/dbraw/zinc/59/29/61/293592961.db2.gz LILGPLPJLISNMX-UHFFFAOYSA-N -1 3 339.304 2.619 20 5 EFBDHM CSCC1CCC([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000295650168 295354774 /nfs/dbraw/zinc/35/47/74/295354774.db2.gz FEKVNWQDCAYFIN-UHFFFAOYSA-N -1 3 344.458 2.795 20 5 EFBDHM Nc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nnc(-c2ccccc2)s1 ZINC000354421545 295363342 /nfs/dbraw/zinc/36/33/42/295363342.db2.gz QRUOYFDQDHZBAV-UHFFFAOYSA-N -1 3 341.352 2.948 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C(C)(C)c1nccs1 ZINC000116377081 302046943 /nfs/dbraw/zinc/04/69/43/302046943.db2.gz OBZNOIPWSWOZEN-UHFFFAOYSA-N -1 3 341.414 2.573 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CC(=O)c2ccccc21 ZINC000354080268 302049783 /nfs/dbraw/zinc/04/97/83/302049783.db2.gz RQAYFCABMRBAPN-ZDUSSCGKSA-N -1 3 346.364 2.509 20 5 EFBDHM COc1ccccc1-c1csc([N-]C(=O)c2n[nH]cc2[N+](=O)[O-])n1 ZINC000135860867 310659886 /nfs/dbraw/zinc/65/98/86/310659886.db2.gz MPOIUHOAFXTAHB-UHFFFAOYSA-N -1 3 345.340 2.702 20 5 EFBDHM CC1([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCC1 ZINC000167423840 310734068 /nfs/dbraw/zinc/73/40/68/310734068.db2.gz GGHTWDZKJAZDNA-UHFFFAOYSA-N -1 3 349.206 2.578 20 5 EFBDHM Cc1cc(C2CC2)nc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)n1 ZINC000297846002 310934560 /nfs/dbraw/zinc/93/45/60/310934560.db2.gz RSJKELYQPJEMKN-UHFFFAOYSA-N -1 3 338.327 2.699 20 5 EFBDHM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ncoc1C1CC1 ZINC000298082316 310955407 /nfs/dbraw/zinc/95/54/07/310955407.db2.gz MRAJERQECZVMOZ-UHFFFAOYSA-N -1 3 345.311 2.874 20 5 EFBDHM O=[N+]([O-])c1cc(Br)cnc1[N-]c1cnn(CC(F)F)c1 ZINC000301710041 311153885 /nfs/dbraw/zinc/15/38/85/311153885.db2.gz XGHGZJKBDRCAGR-UHFFFAOYSA-N -1 3 348.107 2.958 20 5 EFBDHM C[C@H](CN(C)Cc1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000310861643 311229818 /nfs/dbraw/zinc/22/98/18/311229818.db2.gz CSXSHPOCHWSJGY-CYBMUJFWSA-N -1 3 343.383 2.551 20 5 EFBDHM CCc1[nH]nc(C(=O)[N-]c2nc3c(s2)C[C@H](C)CC3)c1[N+](=O)[O-] ZINC000331807440 311422109 /nfs/dbraw/zinc/42/21/09/311422109.db2.gz WSLUBMPKRIOBCZ-SSDOTTSWSA-N -1 3 335.389 2.714 20 5 EFBDHM COc1cc(-c2noc(-c3cc([N+](=O)[O-])cnc3C)n2)ccc1[O-] ZINC000350575458 311808741 /nfs/dbraw/zinc/80/87/41/311808741.db2.gz IDZSMWGMMBZXBM-UHFFFAOYSA-N -1 3 328.284 2.729 20 5 EFBDHM Cc1cc(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cc(C)n1 ZINC000420697161 312385040 /nfs/dbraw/zinc/38/50/40/312385040.db2.gz IPSLPKQYJBOQAB-UHFFFAOYSA-N -1 3 349.412 2.702 20 5 EFBDHM CN(C)CCN(Cc1ccsc1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000458219533 313085540 /nfs/dbraw/zinc/08/55/40/313085540.db2.gz IENMSFIQLFZOPU-UHFFFAOYSA-N -1 3 349.412 2.566 20 5 EFBDHM CN(C)CCN(Cc1ccsc1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000458220117 313086168 /nfs/dbraw/zinc/08/61/68/313086168.db2.gz IYBKRZQCPPRWQH-UHFFFAOYSA-N -1 3 349.412 2.566 20 5 EFBDHM CCCC[C@H](COC)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000480991150 313286477 /nfs/dbraw/zinc/28/64/77/313286477.db2.gz LNDMEXFOWUDQSC-CYBMUJFWSA-N -1 3 344.433 2.695 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)Cc2ccncc2)cc1C ZINC000487115665 313368047 /nfs/dbraw/zinc/36/80/47/313368047.db2.gz INHNHJWXQMAANR-ZDUSSCGKSA-N -1 3 349.412 2.516 20 5 EFBDHM CCC(CC)(CC)[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000491601482 313769393 /nfs/dbraw/zinc/76/93/93/313769393.db2.gz MECJSEKMNYLYQD-UHFFFAOYSA-N -1 3 348.396 2.990 20 5 EFBDHM O=C(/C=C\c1cncc([O-])c1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000492518720 314021803 /nfs/dbraw/zinc/02/18/03/314021803.db2.gz HUBCRXOBLHWDHP-RJRFIUFISA-N -1 3 333.731 2.678 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCc2ccc(F)cc21 ZINC000521665756 316038455 /nfs/dbraw/zinc/03/84/55/316038455.db2.gz IZUQNNGSLXBRNI-CYBMUJFWSA-N -1 3 336.344 2.700 20 5 EFBDHM Cc1cc(-c2csc([N-]C(=O)c3c[nH]nc3[N+](=O)[O-])n2)c(C)o1 ZINC000548928403 318157509 /nfs/dbraw/zinc/15/75/09/318157509.db2.gz VQLLXUJIPQLPMN-UHFFFAOYSA-N -1 3 333.329 2.904 20 5 EFBDHM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1ncn(C)n1 ZINC000554225520 318304379 /nfs/dbraw/zinc/30/43/79/318304379.db2.gz DHBQSDHHRMQQCK-UHFFFAOYSA-N -1 3 335.389 2.868 20 5 EFBDHM CCOc1cc(CN2CC[C@@](C(=O)[O-])(C(C)C)C2)ccc1[N+](=O)[O-] ZINC000566367113 319067891 /nfs/dbraw/zinc/06/78/91/319067891.db2.gz IZHXNOYWPNTWGZ-KRWDZBQOSA-N -1 3 336.388 2.926 20 5 EFBDHM CN(C)[C@H](CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000567981054 319233185 /nfs/dbraw/zinc/23/31/85/319233185.db2.gz YRGGPWBDSQDGOJ-CQSZACIVSA-N -1 3 348.334 2.542 20 5 EFBDHM Cc1ncc(CN[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)c(=O)[n-]1 ZINC000576640953 320034892 /nfs/dbraw/zinc/03/48/92/320034892.db2.gz CKYAGTMKIWXNIC-LBPRGKRZSA-N -1 3 342.277 2.792 20 5 EFBDHM O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1cc(=O)[n-]c(C2CC2)n1 ZINC000578025639 320166717 /nfs/dbraw/zinc/16/67/17/320166717.db2.gz ZGDAHKSLYRJCQH-UHFFFAOYSA-N -1 3 348.746 2.551 20 5 EFBDHM O=C(Nc1ncccc1[O-])c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181001661 323224604 /nfs/dbraw/zinc/22/46/04/323224604.db2.gz SHJCOKOXYHYBCF-UHFFFAOYSA-N -1 3 325.227 2.549 20 5 EFBDHM O=C([N-]c1nc(Cc2ccccc2)cs1)c1n[nH]cc1[N+](=O)[O-] ZINC000184494930 323365865 /nfs/dbraw/zinc/36/58/65/323365865.db2.gz DFJVSVUVJYHZAC-UHFFFAOYSA-N -1 3 329.341 2.618 20 5 EFBDHM O=c1[n-]cnc2c1CN(c1c(Cl)cc([N+](=O)[O-])cc1Cl)CC2 ZINC000302315298 323717211 /nfs/dbraw/zinc/71/72/11/323717211.db2.gz UUPVESXEWKRZQZ-UHFFFAOYSA-N -1 3 341.154 2.960 20 5 EFBDHM O=C(Nc1ccc([O-])cc1F)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000124473189 473250413 /nfs/dbraw/zinc/25/04/13/473250413.db2.gz UWSAUAZOCNLGSB-UHFFFAOYSA-N -1 3 342.286 2.878 20 5 EFBDHM COCCCn1ccc([N-]c2ccc([N+](=O)[O-])c(OC(C)C)n2)n1 ZINC000519182010 468148767 /nfs/dbraw/zinc/14/87/67/468148767.db2.gz ZDNIVRYOCOSCNO-UHFFFAOYSA-N -1 3 335.364 2.754 20 5 EFBDHM Cc1noc([N-]C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)n1 ZINC000124695077 473286555 /nfs/dbraw/zinc/28/65/55/473286555.db2.gz ODJAJFJKHZJUBH-UHFFFAOYSA-N -1 3 341.121 2.609 20 5 EFBDHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)s1 ZINC000125142051 473363669 /nfs/dbraw/zinc/36/36/69/473363669.db2.gz GGWRCVOVBIMIIA-SSDOTTSWSA-N -1 3 347.443 2.769 20 5 EFBDHM O=C([N-]c1cccc(F)c1F)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000067088493 471991602 /nfs/dbraw/zinc/99/16/02/471991602.db2.gz PSPGFNJRVUVHRI-UHFFFAOYSA-N -1 3 336.250 2.897 20 5 EFBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(F)c1F ZINC000067124820 471994332 /nfs/dbraw/zinc/99/43/32/471994332.db2.gz MCRIMKCKEGQGDZ-UHFFFAOYSA-N -1 3 328.296 2.982 20 5 EFBDHM Cc1c(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000024882241 472071406 /nfs/dbraw/zinc/07/14/06/472071406.db2.gz DHRGUYSVPRCZJN-UHFFFAOYSA-N -1 3 349.368 2.527 20 5 EFBDHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000055290382 472164885 /nfs/dbraw/zinc/16/48/85/472164885.db2.gz NMFWQDNPRTULMZ-JTQLQIEISA-N -1 3 343.339 2.750 20 5 EFBDHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000055290384 472164909 /nfs/dbraw/zinc/16/49/09/472164909.db2.gz NMFWQDNPRTULMZ-SNVBAGLBSA-N -1 3 343.339 2.750 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCc2ccccc2)c(F)c1 ZINC000055556743 472202929 /nfs/dbraw/zinc/20/29/29/472202929.db2.gz MAVVXTRNYJHILO-UHFFFAOYSA-N -1 3 338.360 2.645 20 5 EFBDHM O=C([N-]c1ccc(Cl)c(C(=O)NC2CC2)c1)c1ccc([N+](=O)[O-])o1 ZINC000055561196 472204642 /nfs/dbraw/zinc/20/46/42/472204642.db2.gz WGDHDSNMMVXJNH-UHFFFAOYSA-N -1 3 349.730 2.986 20 5 EFBDHM Cc1cc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])ccc1F ZINC000056003459 472270020 /nfs/dbraw/zinc/27/00/20/472270020.db2.gz JNYQXFIHBKIEAG-UHFFFAOYSA-N -1 3 338.360 2.829 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C(C2CC2)C2CC2)c(Cl)c1 ZINC000056010060 472271235 /nfs/dbraw/zinc/27/12/35/472271235.db2.gz VSYOKQQBPZVAIG-UHFFFAOYSA-N -1 3 330.793 2.715 20 5 EFBDHM Cc1ccsc1C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000056040517 472275529 /nfs/dbraw/zinc/27/55/29/472275529.db2.gz GDEFUVVZUWXBTM-UHFFFAOYSA-N -1 3 326.399 2.752 20 5 EFBDHM CC(=O)Nc1cccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC000044653096 472328767 /nfs/dbraw/zinc/32/87/67/472328767.db2.gz CENOECCMZAHRAA-UHFFFAOYSA-N -1 3 339.311 2.682 20 5 EFBDHM CC(C)c1nnc([N-]C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)s1 ZINC000045337119 472394359 /nfs/dbraw/zinc/39/43/59/472394359.db2.gz DDHSAXBVXRPHQC-UHFFFAOYSA-N -1 3 332.345 2.698 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000032402598 472430150 /nfs/dbraw/zinc/43/01/50/472430150.db2.gz AKQRJPFTDGYASR-NTZNESFSSA-N -1 3 342.417 2.706 20 5 EFBDHM O=[N+]([O-])c1ccc(Sc2nnc([N-]CC(F)(F)F)s2)nc1 ZINC000057829457 472481416 /nfs/dbraw/zinc/48/14/16/472481416.db2.gz MEAIKYYNBYFTKP-UHFFFAOYSA-N -1 3 337.308 2.967 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C1(c2ccccc2F)CC1 ZINC000128936368 472510984 /nfs/dbraw/zinc/51/09/84/472510984.db2.gz VTCOFRKYPUJAID-UHFFFAOYSA-N -1 3 336.344 2.702 20 5 EFBDHM O=C(Nc1ccn(-c2ccccc2)n1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000046333289 472543551 /nfs/dbraw/zinc/54/35/51/472543551.db2.gz ILBJSHOFVHPDJT-UHFFFAOYSA-N -1 3 348.322 2.909 20 5 EFBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1c(C)noc1C ZINC000119383387 472551810 /nfs/dbraw/zinc/55/18/10/472551810.db2.gz ALOTVIXESJDOOY-ZDUSSCGKSA-N -1 3 339.373 2.629 20 5 EFBDHM Cc1ccc(-c2nnc(NC(=O)Cc3cccc([N+](=O)[O-])c3C)[n-]2)o1 ZINC000119674472 472574627 /nfs/dbraw/zinc/57/46/27/472574627.db2.gz FHEJINCZJMIRCQ-UHFFFAOYSA-N -1 3 341.327 2.771 20 5 EFBDHM Cc1ccc(-c2n[n-]c(NC(=O)Cc3cccc([N+](=O)[O-])c3C)n2)o1 ZINC000119674472 472574634 /nfs/dbraw/zinc/57/46/34/472574634.db2.gz FHEJINCZJMIRCQ-UHFFFAOYSA-N -1 3 341.327 2.771 20 5 EFBDHM Cc1ccc(-c2nc(NC(=O)Cc3cccc([N+](=O)[O-])c3C)n[n-]2)o1 ZINC000119674472 472574639 /nfs/dbraw/zinc/57/46/39/472574639.db2.gz FHEJINCZJMIRCQ-UHFFFAOYSA-N -1 3 341.327 2.771 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccccc2F)cc1C ZINC000060496791 472661351 /nfs/dbraw/zinc/66/13/51/472661351.db2.gz MWABMDUYSGLGEW-UHFFFAOYSA-N -1 3 338.360 2.829 20 5 EFBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1ccc([O-])c(F)c1 ZINC000156295753 472688550 /nfs/dbraw/zinc/68/85/50/472688550.db2.gz RESKXXKIXGJMLZ-UHFFFAOYSA-N -1 3 338.722 2.952 20 5 EFBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nc(C)cs1 ZINC000104759463 472691661 /nfs/dbraw/zinc/69/16/61/472691661.db2.gz ZHAWQXSJHMIRCS-GFCCVEGCSA-N -1 3 341.414 2.789 20 5 EFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccn1 ZINC000047543133 472728985 /nfs/dbraw/zinc/72/89/85/472728985.db2.gz FYRASWUVHCBUMW-SECBINFHSA-N -1 3 341.776 2.683 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)cc1 ZINC000105389836 472751102 /nfs/dbraw/zinc/75/11/02/472751102.db2.gz VCJWRWCCLIFRJL-UHFFFAOYSA-N -1 3 332.259 2.813 20 5 EFBDHM CC(C)c1nnc([N-]C(=O)c2cc(F)cc([N+](=O)[O-])c2N)s1 ZINC000048317118 472855571 /nfs/dbraw/zinc/85/55/71/472855571.db2.gz IMQGOABXKOKSLN-UHFFFAOYSA-N -1 3 325.325 2.543 20 5 EFBDHM COC(=O)c1cccc2nc(NC(=O)c3cccc([N+](=O)[O-])c3)[n-]c21 ZINC000157799186 472859560 /nfs/dbraw/zinc/85/95/60/472859560.db2.gz RWJVKPJVDYVXCT-UHFFFAOYSA-N -1 3 340.295 2.510 20 5 EFBDHM COC(=O)c1cccc2[n-]c(NC(=O)c3cccc([N+](=O)[O-])c3)nc21 ZINC000157799186 472859571 /nfs/dbraw/zinc/85/95/71/472859571.db2.gz RWJVKPJVDYVXCT-UHFFFAOYSA-N -1 3 340.295 2.510 20 5 EFBDHM Cn1cnnc1[N-]C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000159105791 472999328 /nfs/dbraw/zinc/99/93/28/472999328.db2.gz ITVDWZVCFFHTKP-UHFFFAOYSA-N -1 3 339.311 2.768 20 5 EFBDHM Cc1cc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc([N+](=O)[O-])c1 ZINC000122439156 473015840 /nfs/dbraw/zinc/01/58/40/473015840.db2.gz PHIQNWHNTPNORO-UHFFFAOYSA-N -1 3 349.368 2.527 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-]CCCc2ccccc2)cc1[N+](=O)[O-] ZINC000122703225 473048637 /nfs/dbraw/zinc/04/86/37/473048637.db2.gz YVKXFGPPJALIHZ-UHFFFAOYSA-N -1 3 340.426 2.876 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000122921327 473073987 /nfs/dbraw/zinc/07/39/87/473073987.db2.gz SFYVWQQBKZKIDZ-GFCCVEGCSA-N -1 3 338.410 2.931 20 5 EFBDHM O=C([N-]c1cccc(F)c1F)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000066352285 473079808 /nfs/dbraw/zinc/07/98/08/473079808.db2.gz JKDLWLLPVTXUAX-UHFFFAOYSA-N -1 3 336.250 2.897 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-]CCCOC2CCCC2)cc1[N+](=O)[O-] ZINC000123470244 473144699 /nfs/dbraw/zinc/14/46/99/473144699.db2.gz PRTCCYUXVZDHLK-UHFFFAOYSA-N -1 3 348.446 2.592 20 5 EFBDHM O=C(Nc1ccccc1-n1ccnc1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000052926734 473164287 /nfs/dbraw/zinc/16/42/87/473164287.db2.gz QMDMGAMAHWJBIF-UHFFFAOYSA-N -1 3 348.322 2.909 20 5 EFBDHM COC(=O)c1ccnc([N-]C(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000114444461 473466696 /nfs/dbraw/zinc/46/66/96/473466696.db2.gz AKOYLRJYLMFPPA-UHFFFAOYSA-N -1 3 335.703 2.682 20 5 EFBDHM CCOC(=O)C(C)(C)n1cc([N-]c2nc(C)ccc2[N+](=O)[O-])cn1 ZINC000178322974 473490668 /nfs/dbraw/zinc/49/06/68/473490668.db2.gz UOMKBNCVHQNAML-UHFFFAOYSA-N -1 3 333.348 2.537 20 5 EFBDHM O=C(Nc1ccccc1OCC1CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185721078 473497317 /nfs/dbraw/zinc/49/73/17/473497317.db2.gz PQWKVFLGMXYWHZ-UHFFFAOYSA-N -1 3 329.312 2.737 20 5 EFBDHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cs1 ZINC000185781623 473512473 /nfs/dbraw/zinc/51/24/73/473512473.db2.gz SZPNWLZNJMLAAC-VIFPVBQESA-N -1 3 341.414 2.653 20 5 EFBDHM CC[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1c(C)noc1C ZINC000186005234 473568910 /nfs/dbraw/zinc/56/89/10/473568910.db2.gz QHQDZCMZUVRZBJ-ZDUSSCGKSA-N -1 3 339.373 2.629 20 5 EFBDHM Cc1cccnc1[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)C ZINC000115583447 473584538 /nfs/dbraw/zinc/58/45/38/473584538.db2.gz UBLQVPSZHHJSGE-HNNXBMFYSA-N -1 3 349.412 2.974 20 5 EFBDHM CC1CCC(N2CCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)CC2)CC1 ZINC000115723761 473597555 /nfs/dbraw/zinc/59/75/55/473597555.db2.gz CAHXWAKEDUVDQZ-UHFFFAOYSA-N -1 3 347.415 2.637 20 5 EFBDHM CSc1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)nc1 ZINC000116240354 473641618 /nfs/dbraw/zinc/64/16/18/473641618.db2.gz GUJQDCBZVHJGAP-UHFFFAOYSA-N -1 3 329.341 2.840 20 5 EFBDHM O=C([N-]c1ncc(Cc2ccccc2)s1)c1n[nH]cc1[N+](=O)[O-] ZINC000179332948 473675508 /nfs/dbraw/zinc/67/55/08/473675508.db2.gz CQPVQYJHRAUHPX-UHFFFAOYSA-N -1 3 329.341 2.618 20 5 EFBDHM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1csc(COC)n1 ZINC000281544597 473759504 /nfs/dbraw/zinc/75/95/04/473759504.db2.gz YNEXVVAMPYLQFU-UHFFFAOYSA-N -1 3 337.357 2.849 20 5 EFBDHM O=C(Nc1ccc(C(F)(F)F)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186854491 473768853 /nfs/dbraw/zinc/76/88/53/473768853.db2.gz PNNLOKKSFLUKIY-UHFFFAOYSA-N -1 3 327.218 2.967 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000269324586 473773199 /nfs/dbraw/zinc/77/31/99/473773199.db2.gz KKSCEBZVAABFFO-UHFFFAOYSA-N -1 3 333.304 2.910 20 5 EFBDHM Cc1ccc([N-]C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000269332767 473777243 /nfs/dbraw/zinc/77/72/43/473777243.db2.gz MXZYYWGZGTUDTG-UHFFFAOYSA-N -1 3 333.304 2.910 20 5 EFBDHM O=C(Nc1cccc(C(F)(F)F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187538883 473883756 /nfs/dbraw/zinc/88/37/56/473883756.db2.gz NENOJKXMQXFMQL-UHFFFAOYSA-N -1 3 327.218 2.967 20 5 EFBDHM Cc1ccc(CN(C)C)cc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000187703770 473905909 /nfs/dbraw/zinc/90/59/09/473905909.db2.gz VVOFEFLOGXIXII-UHFFFAOYSA-N -1 3 329.356 2.923 20 5 EFBDHM CCCc1[nH]nc(C(=O)[N-]c2cc(C(F)(F)F)ccn2)c1[N+](=O)[O-] ZINC000180581635 473910620 /nfs/dbraw/zinc/91/06/20/473910620.db2.gz QHKVACFKEFDEDE-UHFFFAOYSA-N -1 3 343.265 2.937 20 5 EFBDHM C[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@H](c1ccccc1)N(C)C ZINC000274789434 473959715 /nfs/dbraw/zinc/95/97/15/473959715.db2.gz PRTBQSBMRHSYAX-YVEFUNNKSA-N -1 3 343.383 2.722 20 5 EFBDHM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CCN(C2CC2)CC1 ZINC000194835178 473960380 /nfs/dbraw/zinc/96/03/80/473960380.db2.gz ILKBDJOASYCEMM-UHFFFAOYSA-N -1 3 339.779 2.767 20 5 EFBDHM CCOc1ccc(OCC)c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000274997589 474035212 /nfs/dbraw/zinc/03/52/12/474035212.db2.gz TYRSSAHPBYRGJD-UHFFFAOYSA-N -1 3 347.327 2.745 20 5 EFBDHM Cc1ccc([C@H](C)NC(=O)c2cccc3nn[n-]c32)cc1[N+](=O)[O-] ZINC000188302747 474050791 /nfs/dbraw/zinc/05/07/91/474050791.db2.gz HRQMNOVCYWBZDR-JTQLQIEISA-N -1 3 325.328 2.666 20 5 EFBDHM Cc1ccc([C@H](C)NC(=O)c2cccc3[n-]nnc32)cc1[N+](=O)[O-] ZINC000188302747 474050796 /nfs/dbraw/zinc/05/07/96/474050796.db2.gz HRQMNOVCYWBZDR-JTQLQIEISA-N -1 3 325.328 2.666 20 5 EFBDHM Cc1ccc([C@H](C)NC(=O)c2cccc3n[n-]nc32)cc1[N+](=O)[O-] ZINC000188302747 474050801 /nfs/dbraw/zinc/05/08/01/474050801.db2.gz HRQMNOVCYWBZDR-JTQLQIEISA-N -1 3 325.328 2.666 20 5 EFBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)[N-]OCCC(F)(F)F ZINC000275264703 474124271 /nfs/dbraw/zinc/12/42/71/474124271.db2.gz ZOTIHLYZWVSNCP-UHFFFAOYSA-N -1 3 326.658 2.791 20 5 EFBDHM CCS[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000175281493 474178388 /nfs/dbraw/zinc/17/83/88/474178388.db2.gz CJPJAZYIDPMBRQ-NWDGAFQWSA-N -1 3 348.421 2.686 20 5 EFBDHM Cc1nc(C)c(C(=O)[N-]c2cc3c(cc2[N+](=O)[O-])OCCCO3)o1 ZINC000175615969 474264796 /nfs/dbraw/zinc/26/47/96/474264796.db2.gz FTGQUNPJPNNOOE-UHFFFAOYSA-N -1 3 333.300 2.613 20 5 EFBDHM CCCCOCCC[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189790307 474483123 /nfs/dbraw/zinc/48/31/23/474483123.db2.gz GCIWJMBHRDHKRB-UHFFFAOYSA-N -1 3 344.433 2.697 20 5 EFBDHM CN(C)CCN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccccc1 ZINC000184296967 474496606 /nfs/dbraw/zinc/49/66/06/474496606.db2.gz IDQLYTZOKVLNMW-UHFFFAOYSA-N -1 3 329.356 2.509 20 5 EFBDHM COc1cc(C[NH2+][C@@H](CC(=O)[O-])CC(C)(C)C)c([N+](=O)[O-])cc1[O-] ZINC000283851329 474512467 /nfs/dbraw/zinc/51/24/67/474512467.db2.gz HGFLXECROQIOCB-NSHDSACASA-N -1 3 340.376 2.678 20 5 EFBDHM COC(C)(C)C[C@H](C)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000190014728 474536548 /nfs/dbraw/zinc/53/65/48/474536548.db2.gz BASAEORHIIQOAH-LBPRGKRZSA-N -1 3 344.433 2.694 20 5 EFBDHM CC(C)=CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000190248658 474569323 /nfs/dbraw/zinc/56/93/23/474569323.db2.gz HFSVJVOEPDMQFT-UHFFFAOYSA-N -1 3 338.307 2.858 20 5 EFBDHM CCN(c1cccc([O-])c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000190358445 474586041 /nfs/dbraw/zinc/58/60/41/474586041.db2.gz ZALUOSQYTAJWDU-UHFFFAOYSA-N -1 3 336.369 2.824 20 5 EFBDHM COc1cc(CNc2nnc(C(F)F)s2)c([N+](=O)[O-])cc1[O-] ZINC000184854428 474621331 /nfs/dbraw/zinc/62/13/31/474621331.db2.gz DNQJKKGKZATEET-UHFFFAOYSA-N -1 3 332.288 2.710 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000284359054 474626535 /nfs/dbraw/zinc/62/65/35/474626535.db2.gz SQMLYAAMSMAAMD-RYUDHWBXSA-N -1 3 332.360 2.520 20 5 EFBDHM COCc1nsc([N-]C(=O)c2ccc(SC)c([N+](=O)[O-])c2)n1 ZINC000273108797 474720217 /nfs/dbraw/zinc/72/02/17/474720217.db2.gz PYHTZEDKNHNVSJ-UHFFFAOYSA-N -1 3 340.386 2.567 20 5 EFBDHM C[C@@H]([N-]S(=O)(=O)c1sccc1F)c1ccccc1[N+](=O)[O-] ZINC000338945748 474762122 /nfs/dbraw/zinc/76/21/22/474762122.db2.gz TVMOUGASJKOCSH-MRVPVSSYSA-N -1 3 330.362 2.835 20 5 EFBDHM Cc1ncc(CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c(=O)[n-]1 ZINC000345118299 474907858 /nfs/dbraw/zinc/90/78/58/474907858.db2.gz FLCGRBHRYNISNP-UHFFFAOYSA-N -1 3 344.371 2.626 20 5 EFBDHM Cc1c(Cl)cc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2F)cc1[N+](=O)[O-] ZINC000339119657 474944513 /nfs/dbraw/zinc/94/45/13/474944513.db2.gz NHYOFUJQXFCMLQ-GHMZBOCLSA-N -1 3 336.772 2.726 20 5 EFBDHM CCOC(=O)[C@]1(C(C)C)CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339131747 474961814 /nfs/dbraw/zinc/96/18/14/474961814.db2.gz VQQSDRANRNBFAI-QGZVFWFLSA-N -1 3 336.388 2.712 20 5 EFBDHM CCc1ccccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000354601024 475282529 /nfs/dbraw/zinc/28/25/29/475282529.db2.gz UHARBTRUFUULPN-UHFFFAOYSA-N -1 3 338.360 2.775 20 5 EFBDHM O=C([N-]c1n[nH]c(-c2ccccc2F)n1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000345658841 475344031 /nfs/dbraw/zinc/34/40/31/475344031.db2.gz VCTSBZMNIKVQFK-UHFFFAOYSA-N -1 3 345.265 2.910 20 5 EFBDHM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000354702792 475347257 /nfs/dbraw/zinc/34/72/57/475347257.db2.gz GLJQPWLDDIDCOM-MRVPVSSYSA-N -1 3 326.296 2.604 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]CCc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000337850216 475375987 /nfs/dbraw/zinc/37/59/87/475375987.db2.gz RAWZCXSVUWFKBA-UHFFFAOYSA-N -1 3 338.360 2.563 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000354762065 475391481 /nfs/dbraw/zinc/39/14/81/475391481.db2.gz AIUDOCPDQNFXOB-VXGBXAGGSA-N -1 3 342.417 2.708 20 5 EFBDHM CCc1[nH]nc(C(=O)[N-]c2nc3c(s2)C[C@@H](C)CC3)c1[N+](=O)[O-] ZINC000331807445 475419775 /nfs/dbraw/zinc/41/97/75/475419775.db2.gz WSLUBMPKRIOBCZ-ZETCQYMHSA-N -1 3 335.389 2.714 20 5 EFBDHM O=C([N-]c1cc(F)cc([N+](=O)[O-])c1)c1coc(C2CCOCC2)n1 ZINC000337995585 475490707 /nfs/dbraw/zinc/49/07/07/475490707.db2.gz QBYSJVWRBPTRDO-UHFFFAOYSA-N -1 3 335.291 2.868 20 5 EFBDHM CCCc1nc(C(=O)[N-]c2cc(C(=O)OC)cc([N+](=O)[O-])c2C)co1 ZINC000338037090 475532298 /nfs/dbraw/zinc/53/22/98/475532298.db2.gz BMJNIYMIBUDFQI-UHFFFAOYSA-N -1 3 347.327 2.883 20 5 EFBDHM O=C(Nc1ccc(OCC2CC2)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000354962521 475561230 /nfs/dbraw/zinc/56/12/30/475561230.db2.gz MFKORMPYVPHSED-UHFFFAOYSA-N -1 3 329.312 2.737 20 5 EFBDHM COc1c(C(=O)[N-]c2nnc(CC(C)C)s2)cccc1[N+](=O)[O-] ZINC000355034375 475613509 /nfs/dbraw/zinc/61/35/09/475613509.db2.gz HADAFRYAQWZTGT-UHFFFAOYSA-N -1 3 336.373 2.906 20 5 EFBDHM CCOC(=O)c1ncc([N-]C(=O)c2ccc([N+](=O)[O-])s2)s1 ZINC000346605521 475694879 /nfs/dbraw/zinc/69/48/79/475694879.db2.gz NKTOGPLUPIDZTN-UHFFFAOYSA-N -1 3 327.343 2.542 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2cccnc2)C2CC2)c([N+](=O)[O-])c1 ZINC000340092522 475752808 /nfs/dbraw/zinc/75/28/08/475752808.db2.gz YWETUJZXJQPMJG-MRXNPFEDSA-N -1 3 347.396 2.728 20 5 EFBDHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000297464174 475768024 /nfs/dbraw/zinc/76/80/24/475768024.db2.gz NHIWVHPQEKNDQG-UHFFFAOYSA-N -1 3 345.739 2.643 20 5 EFBDHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000297464174 475768030 /nfs/dbraw/zinc/76/80/30/475768030.db2.gz NHIWVHPQEKNDQG-UHFFFAOYSA-N -1 3 345.739 2.643 20 5 EFBDHM COc1cc(CNc2cccc3[nH]c(=O)oc32)c([N+](=O)[O-])cc1[O-] ZINC000353213482 475774523 /nfs/dbraw/zinc/77/45/23/475774523.db2.gz SYVSMAZFOMWQGV-UHFFFAOYSA-N -1 3 331.284 2.768 20 5 EFBDHM Cc1c(Cl)cc(F)c([N-]C(=O)c2cc([N+](=O)[O-])nn2C)c1F ZINC000361880163 475834288 /nfs/dbraw/zinc/83/42/88/475834288.db2.gz LHQJAXPTXQSRET-UHFFFAOYSA-N -1 3 330.678 2.821 20 5 EFBDHM Nc1ccc(-c2noc(-c3cc(-c4ccco4)n[n-]3)n2)cc1[N+](=O)[O-] ZINC000355429862 475928925 /nfs/dbraw/zinc/92/89/25/475928925.db2.gz PRYCKMHLUSSDQM-UHFFFAOYSA-N -1 3 338.283 2.877 20 5 EFBDHM Nc1ccc(-c2noc(-c3cc(-c4ccco4)[n-]n3)n2)cc1[N+](=O)[O-] ZINC000355429862 475928931 /nfs/dbraw/zinc/92/89/31/475928931.db2.gz PRYCKMHLUSSDQM-UHFFFAOYSA-N -1 3 338.283 2.877 20 5 EFBDHM Cn1c(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])ccc1[N+](=O)[O-] ZINC000340312808 475938705 /nfs/dbraw/zinc/93/87/05/475938705.db2.gz CUODKHQXMXYGFV-UHFFFAOYSA-N -1 3 329.234 2.910 20 5 EFBDHM CCCc1cc(C(=O)[N-]c2cc(C(=O)OC)cc([N+](=O)[O-])c2C)no1 ZINC000298128920 475991627 /nfs/dbraw/zinc/99/16/27/475991627.db2.gz XDVZZLMRJLGNNT-UHFFFAOYSA-N -1 3 347.327 2.883 20 5 EFBDHM Cc1c(CNC(=O)NCc2ccc([O-])c(F)c2)cccc1[N+](=O)[O-] ZINC000358908589 476030497 /nfs/dbraw/zinc/03/04/97/476030497.db2.gz AHAHJQCUNRIPOG-UHFFFAOYSA-N -1 3 333.319 2.747 20 5 EFBDHM C[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1c(F)cccc1F ZINC000340495415 476067245 /nfs/dbraw/zinc/06/72/45/476067245.db2.gz DEJLNMJQAJFMIU-VIFPVBQESA-N -1 3 342.323 2.913 20 5 EFBDHM Cc1cc(N(C)C[C@H](C)c2nnn[n-]2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338688090 476112946 /nfs/dbraw/zinc/11/29/46/476112946.db2.gz BEOBNTOJHWYUNG-QMMMGPOBSA-N -1 3 344.297 2.675 20 5 EFBDHM Cc1cc(N(C)C[C@H](C)c2nn[n-]n2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338688090 476112953 /nfs/dbraw/zinc/11/29/53/476112953.db2.gz BEOBNTOJHWYUNG-QMMMGPOBSA-N -1 3 344.297 2.675 20 5 EFBDHM CCOC(=O)c1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])c([O-])c1 ZINC000340589153 476128065 /nfs/dbraw/zinc/12/80/65/476128065.db2.gz HGHLXDOERHHIJF-UHFFFAOYSA-N -1 3 344.323 2.658 20 5 EFBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1cccc(F)c1F ZINC000338746491 476151975 /nfs/dbraw/zinc/15/19/75/476151975.db2.gz ZQPKGAHEMBMKNS-UHFFFAOYSA-N -1 3 344.277 2.937 20 5 EFBDHM O=C(Nc1ccc(OC(F)F)nc1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000338759971 476163836 /nfs/dbraw/zinc/16/38/36/476163836.db2.gz XTHZGLOHFSBWMH-UHFFFAOYSA-N -1 3 349.253 2.720 20 5 EFBDHM COc1ccc(-c2ccc(CNC3(C(=O)[O-])CCC3)o2)c([N+](=O)[O-])c1 ZINC000340684092 476203618 /nfs/dbraw/zinc/20/36/18/476203618.db2.gz RYOPNSGUVKMEOX-UHFFFAOYSA-N -1 3 346.339 2.960 20 5 EFBDHM CCO[C@@H]1C[C@](NCc2ccc(C)c([N+](=O)[O-])c2)(C(=O)[O-])C1(C)C ZINC000340687648 476206472 /nfs/dbraw/zinc/20/64/72/476206472.db2.gz BBSATBBLIPFYMP-PBHICJAKSA-N -1 3 336.388 2.651 20 5 EFBDHM CCO[C@H]1C[C@@](NCc2ccc(C)c([N+](=O)[O-])c2)(C(=O)[O-])C1(C)C ZINC000340687655 476207468 /nfs/dbraw/zinc/20/74/68/476207468.db2.gz BBSATBBLIPFYMP-WMLDXEAASA-N -1 3 336.388 2.651 20 5 EFBDHM COc1c(-c2nc(-c3ccc4n[n-]nc4c3)no2)cccc1[N+](=O)[O-] ZINC000350537706 476234772 /nfs/dbraw/zinc/23/47/72/476234772.db2.gz QJJCSKRJTGUSNO-UHFFFAOYSA-N -1 3 338.283 2.592 20 5 EFBDHM CC[C@@H](C)C[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000360878334 476447972 /nfs/dbraw/zinc/44/79/72/476447972.db2.gz OWFFGMNZTPBKHU-MNOVXSKESA-N -1 3 330.406 2.706 20 5 EFBDHM CC[C@@H](C)C[C@@H](C)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000360886559 476454832 /nfs/dbraw/zinc/45/48/32/476454832.db2.gz RGJLZUDBQUHJOL-GHMZBOCLSA-N -1 3 330.406 2.706 20 5 EFBDHM COc1cc(CNCCSCC(F)(F)F)c([N+](=O)[O-])cc1[O-] ZINC000354290183 476563319 /nfs/dbraw/zinc/56/33/19/476563319.db2.gz RWGOXIUUKVDDBL-UHFFFAOYSA-N -1 3 340.323 2.694 20 5 EFBDHM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC2(CCC2)c2c1cccc2F ZINC000445176946 476732296 /nfs/dbraw/zinc/73/22/96/476732296.db2.gz VTSKYNXZQCDMCO-UHFFFAOYSA-N -1 3 343.314 2.917 20 5 EFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C1CCCC1 ZINC000416361061 477145103 /nfs/dbraw/zinc/14/51/03/477145103.db2.gz MBHSWOYUHVVZGH-UHFFFAOYSA-N -1 3 338.307 2.835 20 5 EFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H](C)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000416509842 477194473 /nfs/dbraw/zinc/19/44/73/477194473.db2.gz VZSLKJMFKHNACE-SECBINFHSA-N -1 3 348.396 2.846 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)CC(C)(C)C ZINC000416509125 477194488 /nfs/dbraw/zinc/19/44/88/477194488.db2.gz TXIIYUPRUIJZOJ-SNVBAGLBSA-N -1 3 330.406 2.706 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C2CC2)C2CCC2)cc1[N+](=O)[O-] ZINC000416510515 477195807 /nfs/dbraw/zinc/19/58/07/477195807.db2.gz ILVDTQVFTWNPQC-CYBMUJFWSA-N -1 3 330.431 2.822 20 5 EFBDHM C[C@@H](CCCc1cccnc1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000416538840 477207894 /nfs/dbraw/zinc/20/78/94/477207894.db2.gz RGHPSPWZSSJLQR-ZDUSSCGKSA-N -1 3 349.412 2.680 20 5 EFBDHM CC[C@@H](C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000416585008 477228723 /nfs/dbraw/zinc/22/87/23/477228723.db2.gz BFUYOZCKRSWDSJ-SECBINFHSA-N -1 3 340.323 2.852 20 5 EFBDHM CSC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CCC1 ZINC000435930724 477394318 /nfs/dbraw/zinc/39/43/18/477394318.db2.gz ZHLUBKNOOIXQJH-UHFFFAOYSA-N -1 3 336.460 2.529 20 5 EFBDHM Cn1nc([N+](=O)[O-])cc1-c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436613868 477532734 /nfs/dbraw/zinc/53/27/34/477532734.db2.gz STOCLVHTLYNRAW-UHFFFAOYSA-N -1 3 337.295 2.904 20 5 EFBDHM CCc1ccc(C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c([O-])c1 ZINC000436614112 477533506 /nfs/dbraw/zinc/53/35/06/477533506.db2.gz YZHKWYFHFQLTEI-UHFFFAOYSA-N -1 3 342.351 2.898 20 5 EFBDHM C[C@@H]1CCCN(C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000436675111 477554516 /nfs/dbraw/zinc/55/45/16/477554516.db2.gz YEEIRQVSMXQOFU-GFCCVEGCSA-N -1 3 335.404 2.541 20 5 EFBDHM CC[C@H](C)N[C@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccco1 ZINC000436713772 477567786 /nfs/dbraw/zinc/56/77/86/477567786.db2.gz KDOSFFVRPZJZOG-WCQYABFASA-N -1 3 347.371 2.753 20 5 EFBDHM COc1cccc(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c1[O-] ZINC000436778791 477586875 /nfs/dbraw/zinc/58/68/75/477586875.db2.gz IABHAESQRBOGRC-UHFFFAOYSA-N -1 3 330.340 2.974 20 5 EFBDHM CCc1ccc(-c2nc(-c3c([N+](=O)[O-])nc(C)n3C)no2)c([O-])c1 ZINC000436881984 477624499 /nfs/dbraw/zinc/62/44/99/477624499.db2.gz WITNQMTWHKULHF-UHFFFAOYSA-N -1 3 329.316 2.622 20 5 EFBDHM Cc1cc(CN(C)C)cc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000436960039 477649154 /nfs/dbraw/zinc/64/91/54/477649154.db2.gz OZUNGBSPOVXJKJ-UHFFFAOYSA-N -1 3 329.356 2.923 20 5 EFBDHM COc1ccc(NC(=O)c2cc(OC)c([O-])c(OC)c2)cc1[N+](=O)[O-] ZINC000436968613 477653078 /nfs/dbraw/zinc/65/30/78/477653078.db2.gz UOAUQBPHWULJOR-UHFFFAOYSA-N -1 3 348.311 2.579 20 5 EFBDHM CCN=c1[n-]c(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cs1 ZINC000437489971 477710801 /nfs/dbraw/zinc/71/08/01/477710801.db2.gz KLAYZOGQVAOTEU-UHFFFAOYSA-N -1 3 346.412 2.710 20 5 EFBDHM Cc1oc(-c2cnn(C)c2)nc1C(=O)[N-]c1ccc([N+](=O)[O-])cc1F ZINC000437563513 477718157 /nfs/dbraw/zinc/71/81/57/477718157.db2.gz XSXGLAGNXOYQBD-UHFFFAOYSA-N -1 3 345.290 2.683 20 5 EFBDHM CC(C)C[C@H](C)n1nccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000426882983 477757407 /nfs/dbraw/zinc/75/74/07/477757407.db2.gz QQLQLPDPVISBDH-JTQLQIEISA-N -1 3 333.348 2.751 20 5 EFBDHM CC[C@](C)([N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)C(F)(F)F ZINC000515451065 477824378 /nfs/dbraw/zinc/82/43/78/477824378.db2.gz YINKAAOFFLHGJS-NSHDSACASA-N -1 3 340.323 2.913 20 5 EFBDHM Cc1cccc(C)c1CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000532479189 477932059 /nfs/dbraw/zinc/93/20/59/477932059.db2.gz UDCWBDGTWKQGGF-UHFFFAOYSA-N -1 3 334.397 2.733 20 5 EFBDHM C[C@@H](NC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)C(C)(F)F ZINC000459615771 478012538 /nfs/dbraw/zinc/01/25/38/478012538.db2.gz ZDAWVFMJKBXPTE-MRVPVSSYSA-N -1 3 339.302 2.572 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1CN(CCc1ccccc1)CC(=O)[O-] ZINC000517035741 478041500 /nfs/dbraw/zinc/04/15/00/478041500.db2.gz OCNUDVUOQQKJLA-UHFFFAOYSA-N -1 3 344.367 2.733 20 5 EFBDHM Cc1ccc(CC[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])o1 ZINC000518346246 478160517 /nfs/dbraw/zinc/16/05/17/478160517.db2.gz SLEQLILFAJSSKQ-UHFFFAOYSA-N -1 3 338.385 2.634 20 5 EFBDHM CC/C=C/C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000451775810 478199502 /nfs/dbraw/zinc/19/95/02/478199502.db2.gz PHNRFJLBTBKNGA-ONEGZZNKSA-N -1 3 338.307 2.858 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCCC2(F)F)c([N+](=O)[O-])c1 ZINC000451823602 478217111 /nfs/dbraw/zinc/21/71/11/478217111.db2.gz NVYGYNRVTAFNFH-SNVBAGLBSA-N -1 3 334.344 2.617 20 5 EFBDHM Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000535705068 478220554 /nfs/dbraw/zinc/22/05/54/478220554.db2.gz MVHPDLKPTKTLAY-UHFFFAOYSA-N -1 3 329.234 2.910 20 5 EFBDHM Cc1[n-][nH]c(=O)c1CCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000535988379 478238393 /nfs/dbraw/zinc/23/83/93/478238393.db2.gz FMIZWXCBAOXSHZ-SECBINFHSA-N -1 3 330.266 2.538 20 5 EFBDHM CCc1noc(C)c1C(=O)[N-]c1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000489756511 478268572 /nfs/dbraw/zinc/26/85/72/478268572.db2.gz FEUURGAJDMZYMD-UHFFFAOYSA-N -1 3 347.327 2.801 20 5 EFBDHM CC[C@@H]1CN(C)CCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000597603435 478427273 /nfs/dbraw/zinc/42/72/73/478427273.db2.gz BUYRHPWJZFLMDD-LLVKDONJSA-N -1 3 341.795 2.510 20 5 EFBDHM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]C2(C(F)F)CCCCC2)c1 ZINC000581943347 478473050 /nfs/dbraw/zinc/47/30/50/478473050.db2.gz CATIUUJAJRVWCD-UHFFFAOYSA-N -1 3 334.344 2.841 20 5 EFBDHM CCCN(C)c1ccccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000600754363 478504794 /nfs/dbraw/zinc/50/47/94/478504794.db2.gz AAYFYMAEZPZSGC-UHFFFAOYSA-N -1 3 330.344 2.794 20 5 EFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C1CC=CC1 ZINC000591326564 478522889 /nfs/dbraw/zinc/52/28/89/478522889.db2.gz HOGXTBJBFKAZRY-UHFFFAOYSA-N -1 3 336.291 2.611 20 5 EFBDHM CCC[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC)C1CCC1 ZINC000591331271 478525085 /nfs/dbraw/zinc/52/50/85/478525085.db2.gz UUKITUPJBPBVNT-GFCCVEGCSA-N -1 3 342.417 2.851 20 5 EFBDHM CC[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC)[C@H]1CC1(C)C ZINC000591333793 478526729 /nfs/dbraw/zinc/52/67/29/478526729.db2.gz AGHRGFDOCMVNMR-GHMZBOCLSA-N -1 3 342.417 2.706 20 5 EFBDHM C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594754927 478531399 /nfs/dbraw/zinc/53/13/99/478531399.db2.gz PUQVKMDXAQXSDM-CMPLNLGQSA-N -1 3 335.385 2.610 20 5 EFBDHM CCC[C@@H](OCC)C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000600816705 478532500 /nfs/dbraw/zinc/53/25/00/478532500.db2.gz JESALIMJIYGMFC-CQSZACIVSA-N -1 3 332.360 2.551 20 5 EFBDHM CC(C)C1([N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000594776984 478538751 /nfs/dbraw/zinc/53/87/51/478538751.db2.gz RPEPAQMIKUIUQH-UHFFFAOYSA-N -1 3 335.385 2.610 20 5 EFBDHM CCC(C)(C)C[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594781970 478539878 /nfs/dbraw/zinc/53/98/78/478539878.db2.gz YXGSJRHVYJHJAR-UHFFFAOYSA-N -1 3 337.401 2.858 20 5 EFBDHM COc1c(F)cc(S(=O)(=O)[N-]CCCC2CCC2)cc1[N+](=O)[O-] ZINC000594858533 478562718 /nfs/dbraw/zinc/56/27/18/478562718.db2.gz SIWXBZKSSSGHRS-UHFFFAOYSA-N -1 3 346.380 2.601 20 5 EFBDHM CC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000491597143 478596787 /nfs/dbraw/zinc/59/67/87/478596787.db2.gz RPPLBFUTPHTWFL-CABZTGNLSA-N -1 3 346.380 2.600 20 5 EFBDHM COc1cc(CNC[C@H](O)[C@@H](C)c2ccccc2)c([N+](=O)[O-])cc1[O-] ZINC000595001442 478623509 /nfs/dbraw/zinc/62/35/09/478623509.db2.gz UNXAPDLKLNTVCJ-SJCJKPOMSA-N -1 3 346.383 2.563 20 5 EFBDHM COc1cc(CNC[C@@H](OC)C2CCCCC2)c([N+](=O)[O-])cc1[O-] ZINC000594998696 478624103 /nfs/dbraw/zinc/62/41/03/478624103.db2.gz ZFGKIRGVZZRJAP-QGZVFWFLSA-N -1 3 338.404 2.994 20 5 EFBDHM O=c1[nH][n-]cc1CCCNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000601195311 478717370 /nfs/dbraw/zinc/71/73/70/478717370.db2.gz JUWXBSYVEHMKLP-ZETCQYMHSA-N -1 3 331.159 2.826 20 5 EFBDHM Cc1cc(S(=O)(=O)[N-]CCCCOC(C)C)c(F)cc1[N+](=O)[O-] ZINC000601392109 478817853 /nfs/dbraw/zinc/81/78/53/478817853.db2.gz XGJGBZYXIXVKAS-UHFFFAOYSA-N -1 3 348.396 2.526 20 5 EFBDHM CN1CCCC(C)(C)[C@@H]1CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000583384584 478840013 /nfs/dbraw/zinc/84/00/13/478840013.db2.gz YRNOMNPMTDRLDO-HNNXBMFYSA-N -1 3 335.404 2.754 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]C[C@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000507564886 478927659 /nfs/dbraw/zinc/92/76/59/478927659.db2.gz YPUFLZNCOAQXFW-ZDUSSCGKSA-N -1 3 334.397 2.985 20 5 EFBDHM O=C(/C=C\c1cncc([O-])c1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000492399985 478968686 /nfs/dbraw/zinc/96/86/86/478968686.db2.gz QAFUEQJEUHFQAY-TWGQIWQCSA-N -1 3 341.367 2.848 20 5 EFBDHM O=C(c1cc(F)c[n-]c1=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000598692308 478973972 /nfs/dbraw/zinc/97/39/72/478973972.db2.gz USRWVSOACNURQD-UHFFFAOYSA-N -1 3 331.303 2.639 20 5 EFBDHM O=C(c1cc(F)c[n-]c1=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000598738718 478998617 /nfs/dbraw/zinc/99/86/17/478998617.db2.gz QLPYPFNSVOIQRJ-LBPRGKRZSA-N -1 3 345.330 2.854 20 5 EFBDHM O=c1[n-]ccc(N2CCC(OCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000596062774 479115192 /nfs/dbraw/zinc/11/51/92/479115192.db2.gz MHDQPLPTFRBBID-UHFFFAOYSA-N -1 3 329.356 2.881 20 5 EFBDHM O=C(Nc1ccccc1)C1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596061497 479115272 /nfs/dbraw/zinc/11/52/72/479115272.db2.gz KOSQDYAYRJLMPB-UHFFFAOYSA-N -1 3 342.355 2.551 20 5 EFBDHM CC(C)NC(=O)Nc1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000596079068 479126310 /nfs/dbraw/zinc/12/63/10/479126310.db2.gz XVSKKPMPENQZTP-UHFFFAOYSA-N -1 3 345.359 2.837 20 5 EFBDHM Cc1cc(NCCCNC(=O)c2cccc([O-])c2)c([N+](=O)[O-])s1 ZINC000596109153 479143088 /nfs/dbraw/zinc/14/30/88/479143088.db2.gz LFYWCBGRALHSPK-UHFFFAOYSA-N -1 3 335.385 2.902 20 5 EFBDHM C[C@@H](c1cccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])c1)N1CCOCC1 ZINC000596113146 479146326 /nfs/dbraw/zinc/14/63/26/479146326.db2.gz NXYXPDLTEJGCKJ-LBPRGKRZSA-N -1 3 344.371 2.832 20 5 EFBDHM O=C(c1ccc(F)cc1)[C@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596137315 479159456 /nfs/dbraw/zinc/15/94/56/479159456.db2.gz ZWSBWESKUBBNKN-LBPRGKRZSA-N -1 3 345.330 2.934 20 5 EFBDHM O=c1[n-]ccc(N2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000596145418 479163136 /nfs/dbraw/zinc/16/31/36/479163136.db2.gz SSXMWGDKUPYELE-WDSKDSINSA-N -1 3 345.199 2.872 20 5 EFBDHM Cn1c(CCCNc2cc[n-]c(=O)c2[N+](=O)[O-])nc2ccccc21 ZINC000596146975 479164008 /nfs/dbraw/zinc/16/40/08/479164008.db2.gz JSTLAHGBOGAEBT-UHFFFAOYSA-N -1 3 327.344 2.627 20 5 EFBDHM COc1cc(OC)cc(OCCCNc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC000596154606 479168145 /nfs/dbraw/zinc/16/81/45/479168145.db2.gz CWFGSLNIOFVBOV-UHFFFAOYSA-N -1 3 349.343 2.594 20 5 EFBDHM O=c1[n-]ccc(NCCCc2ccc3c(c2)OCCO3)c1[N+](=O)[O-] ZINC000596162578 479172102 /nfs/dbraw/zinc/17/21/02/479172102.db2.gz MZJGVPUBLSQNLG-UHFFFAOYSA-N -1 3 331.328 2.511 20 5 EFBDHM CCS[C@H](C)c1noc(CN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])n1 ZINC000596166154 479174060 /nfs/dbraw/zinc/17/40/60/479174060.db2.gz QWSSQAAHSOTPFQ-MRVPVSSYSA-N -1 3 339.377 2.529 20 5 EFBDHM COc1ccccc1OC[C@@H](C)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596179088 479183316 /nfs/dbraw/zinc/18/33/16/479183316.db2.gz MBHGAFQUMAVVQS-NSHDSACASA-N -1 3 333.344 2.831 20 5 EFBDHM COC(=O)[C@@H](C)Cc1ccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000596191747 479190635 /nfs/dbraw/zinc/19/06/35/479190635.db2.gz DSWVZSQRBPGVNP-JTQLQIEISA-N -1 3 331.328 2.791 20 5 EFBDHM CCO[C@@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])[C@H]1Oc1ccccc1 ZINC000596201359 479196789 /nfs/dbraw/zinc/19/67/89/479196789.db2.gz ZWIMFCUCOZVBRA-IIAWOOMASA-N -1 3 345.355 2.732 20 5 EFBDHM CCO[C@@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])[C@H]1Oc1ccccc1 ZINC000596201361 479197164 /nfs/dbraw/zinc/19/71/64/479197164.db2.gz ZWIMFCUCOZVBRA-SQWLQELKSA-N -1 3 345.355 2.732 20 5 EFBDHM C[C@@H](c1ccsc1)N1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596218251 479205881 /nfs/dbraw/zinc/20/58/81/479205881.db2.gz IKGRYNXAIQVRRI-NSHDSACASA-N -1 3 334.401 2.640 20 5 EFBDHM O=c1[n-]ccc(NC[C@@]2(O)CCC[C@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000596220870 479208334 /nfs/dbraw/zinc/20/83/34/479208334.db2.gz DZWAJMKKQXZMLK-QPUJVOFHSA-N -1 3 335.282 2.591 20 5 EFBDHM CC(C)(C)O[C@@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])[C@@H]1n1cccn1 ZINC000596259405 479228013 /nfs/dbraw/zinc/22/80/13/479228013.db2.gz ZAFIEOXUIDLYCZ-UPJWGTAASA-N -1 3 347.375 2.501 20 5 EFBDHM CCC[C@@H](C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])OCC ZINC000599367880 479273813 /nfs/dbraw/zinc/27/38/13/479273813.db2.gz OLOYZJBMHJIMOM-ZDUSSCGKSA-N -1 3 344.433 2.695 20 5 EFBDHM O=[N+]([O-])c1ccn(C2CCN(Cc3cc([O-])ccc3Cl)CC2)n1 ZINC000599397452 479283340 /nfs/dbraw/zinc/28/33/40/479283340.db2.gz XZNZFTXGUAUEMG-UHFFFAOYSA-N -1 3 336.779 2.987 20 5 EFBDHM O=[N+]([O-])c1ccc([O-])cc1CN1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000611263421 479328978 /nfs/dbraw/zinc/32/89/78/479328978.db2.gz CPSYSCQAUSNWQC-HOTGVXAUSA-N -1 3 339.395 2.869 20 5 EFBDHM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])C(C[C@H]1CCCO1)C(F)(F)F ZINC000593553654 479386131 /nfs/dbraw/zinc/38/61/31/479386131.db2.gz PMLKZZYYAJKUDS-NXEZZACHSA-N -1 3 348.277 2.987 20 5 EFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1C[C@H]1CC(C)(C)C ZINC000593628106 479408169 /nfs/dbraw/zinc/40/81/69/479408169.db2.gz QRNHYIIGGCWDOI-WDEREUQCSA-N -1 3 342.417 2.706 20 5 EFBDHM O=C([N-]c1nn2cnnc2s1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000603819544 479432265 /nfs/dbraw/zinc/43/22/65/479432265.db2.gz ATMUENNRPBLXDY-UHFFFAOYSA-N -1 3 346.353 2.561 20 5 EFBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC(C3CCOCC3)CC2)c1 ZINC000593739452 479442294 /nfs/dbraw/zinc/44/22/94/479442294.db2.gz FEBMUMZAJGLLMX-UHFFFAOYSA-N -1 3 348.399 2.932 20 5 EFBDHM O=C([O-])CCN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)CC1CC1 ZINC000593744979 479443628 /nfs/dbraw/zinc/44/36/28/479443628.db2.gz VVNZMDUFBDALNK-UHFFFAOYSA-N -1 3 345.355 2.937 20 5 EFBDHM CCc1nn(C)c([N-]c2ccn([C@@H](C)c3ccccc3)n2)c1[N+](=O)[O-] ZINC000588823652 479445862 /nfs/dbraw/zinc/44/58/62/479445862.db2.gz RNZBORWISDMJLP-LBPRGKRZSA-N -1 3 340.387 2.862 20 5 EFBDHM COc1ccc([N+](=O)[O-])cc1CN(C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000578995277 479645057 /nfs/dbraw/zinc/64/50/57/479645057.db2.gz HDQDWWCHTACAQJ-MRXNPFEDSA-N -1 3 344.367 2.731 20 5 EFBDHM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1cc(C(N)=O)sc1C ZINC000619298305 479750562 /nfs/dbraw/zinc/75/05/62/479750562.db2.gz YWGIPCKALJNJTJ-UHFFFAOYSA-N -1 3 349.368 2.715 20 5 EFBDHM COc1ccc([C@H](CC(=O)[O-])NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000617339719 480171831 /nfs/dbraw/zinc/17/18/31/480171831.db2.gz BANGJOIAHCBTCJ-INIZCTEOSA-N -1 3 330.340 2.909 20 5 EFBDHM CC[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000610136593 480242095 /nfs/dbraw/zinc/24/20/95/480242095.db2.gz SDVLWDYIWJMHBT-VXGBXAGGSA-N -1 3 342.417 2.851 20 5 EFBDHM CC[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000610136590 480242459 /nfs/dbraw/zinc/24/24/59/480242459.db2.gz SDVLWDYIWJMHBT-NEPJUHHUSA-N -1 3 342.417 2.851 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC(C2CC2)C2CC2)cc1C ZINC000610270029 480267469 /nfs/dbraw/zinc/26/74/69/480267469.db2.gz GEARTHDZTVHYPG-UHFFFAOYSA-N -1 3 338.429 2.926 20 5 EFBDHM COc1cc(CNCc2ccc(C(C)(C)O)cc2)c([N+](=O)[O-])cc1[O-] ZINC000187508861 533887935 /nfs/dbraw/zinc/88/79/35/533887935.db2.gz SLXMLBSPWSBRMG-UHFFFAOYSA-N -1 3 346.383 2.826 20 5 EFBDHM Cc1cccc([O-])c1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000179553022 524703135 /nfs/dbraw/zinc/70/31/35/524703135.db2.gz CBVWBCZSXYLJKZ-UHFFFAOYSA-N -1 3 339.307 2.703 20 5 EFBDHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccncc1F ZINC000180167627 525556736 /nfs/dbraw/zinc/55/67/36/525556736.db2.gz RBRRZEDWGMRBCN-UHFFFAOYSA-N -1 3 325.321 2.547 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)c2ccc([O-])cc2)cc1C ZINC000193028390 525557481 /nfs/dbraw/zinc/55/74/81/525557481.db2.gz CZOZELQPBJMGSC-UHFFFAOYSA-N -1 3 336.369 2.742 20 5 EFBDHM CS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000117375287 525831809 /nfs/dbraw/zinc/83/18/09/525831809.db2.gz BOOYUAGYJQEFLV-MWLCHTKSSA-N -1 3 348.421 2.686 20 5 EFBDHM CS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000117375283 525911045 /nfs/dbraw/zinc/91/10/45/525911045.db2.gz BOOYUAGYJQEFLV-ONGXEEELSA-N -1 3 348.421 2.686 20 5 EFBDHM CC(C)(NC(=O)c1ccc2n[n-]nc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000175149355 527285666 /nfs/dbraw/zinc/28/56/66/527285666.db2.gz HOGZBKUIJQHNRK-UHFFFAOYSA-N -1 3 325.328 2.531 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CC=CCC2)c(Cl)c1 ZINC000069042672 527375046 /nfs/dbraw/zinc/37/50/46/527375046.db2.gz SRNDYKZUZSCHCJ-SNVBAGLBSA-N -1 3 330.793 2.883 20 5 EFBDHM O=[N+]([O-])c1cccc(OCCSc2n[n-]c(-c3ccccn3)n2)c1 ZINC000117115659 527390570 /nfs/dbraw/zinc/39/05/70/527390570.db2.gz NQNZPLHWQUBYLA-UHFFFAOYSA-N -1 3 343.368 2.946 20 5 EFBDHM CCOc1cc(NCc2nnc(C(F)(F)F)[n-]2)ccc1[N+](=O)[O-] ZINC000359712145 535685703 /nfs/dbraw/zinc/68/57/03/535685703.db2.gz KECRKUHRDGDWBW-UHFFFAOYSA-N -1 3 331.254 2.743 20 5 EFBDHM CCOc1cc(NCc2n[n-]c(C(F)(F)F)n2)ccc1[N+](=O)[O-] ZINC000359712145 535685708 /nfs/dbraw/zinc/68/57/08/535685708.db2.gz KECRKUHRDGDWBW-UHFFFAOYSA-N -1 3 331.254 2.743 20 5 EFBDHM CCOc1cc(NCc2nc(C(F)(F)F)n[n-]2)ccc1[N+](=O)[O-] ZINC000359712145 535685715 /nfs/dbraw/zinc/68/57/15/535685715.db2.gz KECRKUHRDGDWBW-UHFFFAOYSA-N -1 3 331.254 2.743 20 5 EFBDHM CCc1[nH]nc(C(=O)[N-]c2ncc(-c3ccccn3)s2)c1[N+](=O)[O-] ZINC000359382382 536009432 /nfs/dbraw/zinc/00/94/32/536009432.db2.gz GYUAJPDKOALVDM-UHFFFAOYSA-N -1 3 344.356 2.651 20 5 EFBDHM CCc1ccnc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1 ZINC000435624050 536012198 /nfs/dbraw/zinc/01/21/98/536012198.db2.gz BQFWAMUNAAHTNI-UHFFFAOYSA-N -1 3 349.412 2.648 20 5 EFBDHM COc1cc(C(=O)[N-]c2nnc(-c3ccco3)s2)ccc1[N+](=O)[O-] ZINC000338011968 536540437 /nfs/dbraw/zinc/54/04/37/536540437.db2.gz KSYOEBXJEJHEPN-UHFFFAOYSA-N -1 3 346.324 2.967 20 5 EFBDHM COc1cc(C(=O)OCc2ccccc2[N+](=O)[O-])cc(OC)c1[O-] ZINC000754267576 575412638 /nfs/dbraw/zinc/41/26/38/575412638.db2.gz MPXABNMLJHWZGC-UHFFFAOYSA-N -1 3 333.296 2.675 20 5 EFBDHM COc1ccc([N+](=O)[O-])cc1COC(=O)c1ccc([O-])c(OC)c1 ZINC000757102225 575822904 /nfs/dbraw/zinc/82/29/04/575822904.db2.gz UGFOFZONSVLSAR-UHFFFAOYSA-N -1 3 333.296 2.675 20 5 EFBDHM O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1cncc([O-])c1 ZINC000760516111 576038785 /nfs/dbraw/zinc/03/87/85/576038785.db2.gz TXKPGYDJACTKCO-UHFFFAOYSA-N -1 3 341.279 2.707 20 5 EFBDHM COc1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c(Cl)n1 ZINC000761753520 576208669 /nfs/dbraw/zinc/20/86/69/576208669.db2.gz JUXAJUQEQCNSEF-UHFFFAOYSA-N -1 3 347.718 2.780 20 5 EFBDHM Cc1cc([N-]C(=O)[C@H](C)OC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)on1 ZINC000763404417 576376012 /nfs/dbraw/zinc/37/60/12/576376012.db2.gz RFTBKGXWFGFWQI-QWRGUYRKSA-N -1 3 347.327 2.565 20 5 EFBDHM Cc1cccc(C)c1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000765224669 577020690 /nfs/dbraw/zinc/02/06/90/577020690.db2.gz JBUABKDKKAWYTQ-UHFFFAOYSA-N -1 3 338.360 2.829 20 5 EFBDHM O=Cc1n[n-]c2cc(C(=O)OCc3ccc([N+](=O)[O-])cc3F)ccc12 ZINC000766183065 577118272 /nfs/dbraw/zinc/11/82/72/577118272.db2.gz CPEMUWLJZUGJTL-UHFFFAOYSA-N -1 3 343.270 2.780 20 5 EFBDHM O=Cc1[n-]nc2cc(C(=O)OCc3ccc([N+](=O)[O-])cc3F)ccc12 ZINC000766183065 577118274 /nfs/dbraw/zinc/11/82/74/577118274.db2.gz CPEMUWLJZUGJTL-UHFFFAOYSA-N -1 3 343.270 2.780 20 5 EFBDHM C[C@H](C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000768810964 577304799 /nfs/dbraw/zinc/30/47/99/577304799.db2.gz NGGDJTYZRLJDRS-SECBINFHSA-N -1 3 344.389 2.877 20 5 EFBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2CC[C@H]3CCC[C@@H]3C2)cs1 ZINC000768844801 577308758 /nfs/dbraw/zinc/30/87/58/577308758.db2.gz VSXYEUGBHWYFAO-GMTAPVOTSA-N -1 3 330.431 2.903 20 5 EFBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCCc2cccs2)cs1 ZINC000768881203 577313557 /nfs/dbraw/zinc/31/35/57/577313557.db2.gz HBDKEOKNPURJEL-UHFFFAOYSA-N -1 3 332.428 2.629 20 5 EFBDHM CC(C)(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)CCO1 ZINC000768882501 577313813 /nfs/dbraw/zinc/31/38/13/577313813.db2.gz OLWJBOPBCPIEBN-GXSJLCMTSA-N -1 3 348.446 2.528 20 5 EFBDHM COC1CCC(CC[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000768889347 577314440 /nfs/dbraw/zinc/31/44/40/577314440.db2.gz ABOMMCOSVYSMIY-UHFFFAOYSA-N -1 3 348.446 2.530 20 5 EFBDHM CC(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)C1(C)C ZINC000768893287 577314789 /nfs/dbraw/zinc/31/47/89/577314789.db2.gz YVOYVVIFEQOMCC-MNOVXSKESA-N -1 3 348.446 2.527 20 5 EFBDHM CC(C)O[C@H]1C[C@H]([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)C1(C)C ZINC000768893289 577314871 /nfs/dbraw/zinc/31/48/71/577314871.db2.gz YVOYVVIFEQOMCC-QWRGUYRKSA-N -1 3 348.446 2.527 20 5 EFBDHM COc1cccc(C(=O)[N-]c2cc(C(F)(F)F)no2)c1[N+](=O)[O-] ZINC000769999099 577397144 /nfs/dbraw/zinc/39/71/44/577397144.db2.gz CHTGPOKLBYOHIS-UHFFFAOYSA-N -1 3 331.206 2.863 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1c([O-])cccc1F ZINC000772579566 581343166 /nfs/dbraw/zinc/34/31/66/581343166.db2.gz MYHRANFWCMCBNM-UHFFFAOYSA-N -1 3 348.286 2.543 20 5 EFBDHM C[C@@H](OC(=O)c1c([O-])cccc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000772595979 581344673 /nfs/dbraw/zinc/34/46/73/581344673.db2.gz XFGGVIKITWASHF-SECBINFHSA-N -1 3 348.286 2.624 20 5 EFBDHM O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1c([O-])cccc1F ZINC000772598002 581345189 /nfs/dbraw/zinc/34/51/89/581345189.db2.gz WOTXMMOHJIHKFV-UHFFFAOYSA-N -1 3 332.243 2.938 20 5 EFBDHM CCC(CC)(CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)SC ZINC000820887944 599084886 /nfs/dbraw/zinc/08/48/86/599084886.db2.gz YJTXTVSWEOCYAY-UHFFFAOYSA-N -1 3 337.409 2.504 20 5 EFBDHM CCC(CC)(CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)SC ZINC000820887944 599084887 /nfs/dbraw/zinc/08/48/87/599084887.db2.gz YJTXTVSWEOCYAY-UHFFFAOYSA-N -1 3 337.409 2.504 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@H]1c1cccc(F)c1 ZINC000823629653 599090960 /nfs/dbraw/zinc/09/09/60/599090960.db2.gz DHANSOTVMAVMSX-ZDUSSCGKSA-N -1 3 340.318 2.865 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@H]1c1cccc(F)c1 ZINC000823629653 599090963 /nfs/dbraw/zinc/09/09/63/599090963.db2.gz DHANSOTVMAVMSX-ZDUSSCGKSA-N -1 3 340.318 2.865 20 5 EFBDHM CCS[C@H]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821446887 599098458 /nfs/dbraw/zinc/09/84/58/599098458.db2.gz FFOLCZJEGUWWRL-PWSUYJOCSA-N -1 3 348.432 2.885 20 5 EFBDHM CCS[C@H]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821446887 599098461 /nfs/dbraw/zinc/09/84/61/599098461.db2.gz FFOLCZJEGUWWRL-PWSUYJOCSA-N -1 3 348.432 2.885 20 5 EFBDHM CCO[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C12CCC2 ZINC000736611649 599119697 /nfs/dbraw/zinc/11/96/97/599119697.db2.gz JZOWMQJUBJWZHY-UONOGXRCSA-N -1 3 344.375 2.535 20 5 EFBDHM CCO[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C12CCC2 ZINC000736611649 599119700 /nfs/dbraw/zinc/11/97/00/599119700.db2.gz JZOWMQJUBJWZHY-UONOGXRCSA-N -1 3 344.375 2.535 20 5 EFBDHM O=[N+]([O-])c1ccc(NCCC[C@@H]2CCCC[C@H]2O)c(-c2nnn[n-]2)c1 ZINC000823640272 607306384 /nfs/dbraw/zinc/30/63/84/607306384.db2.gz ZQTSXSGHTCQAPX-XHDPSFHLSA-N -1 3 346.391 2.518 20 5 EFBDHM O=[N+]([O-])c1ccc(NCCC[C@@H]2CCCC[C@H]2O)c(-c2nn[n-]n2)c1 ZINC000823640272 607306385 /nfs/dbraw/zinc/30/63/85/607306385.db2.gz ZQTSXSGHTCQAPX-XHDPSFHLSA-N -1 3 346.391 2.518 20 5 EFBDHM C[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(F)c(F)c1 ZINC000820461832 599273761 /nfs/dbraw/zinc/27/37/61/599273761.db2.gz RIQLQYJAVJAXEN-SSDOTTSWSA-N -1 3 347.285 2.621 20 5 EFBDHM C[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc(F)c(F)c1 ZINC000820461832 599273763 /nfs/dbraw/zinc/27/37/63/599273763.db2.gz RIQLQYJAVJAXEN-SSDOTTSWSA-N -1 3 347.285 2.621 20 5 EFBDHM Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737283546 598498386 /nfs/dbraw/zinc/49/83/86/598498386.db2.gz DVIJNOJBGJMMJE-JTQLQIEISA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737283546 598498388 /nfs/dbraw/zinc/49/83/88/598498388.db2.gz DVIJNOJBGJMMJE-JTQLQIEISA-N -1 3 325.332 2.651 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCCc1cccc(F)c1 ZINC000738358605 598592602 /nfs/dbraw/zinc/59/26/02/598592602.db2.gz NLQKNPKDHGOZIN-UHFFFAOYSA-N -1 3 342.334 2.959 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCCc1cccc(F)c1 ZINC000738358605 598592603 /nfs/dbraw/zinc/59/26/03/598592603.db2.gz NLQKNPKDHGOZIN-UHFFFAOYSA-N -1 3 342.334 2.959 20 5 EFBDHM O=[N+]([O-])c1ccc(NCCOC2CCCCCC2)c(-c2nnn[n-]2)c1 ZINC000738368424 599306076 /nfs/dbraw/zinc/30/60/76/599306076.db2.gz DIDRNZJTYVWLLH-UHFFFAOYSA-N -1 3 346.391 2.926 20 5 EFBDHM O=[N+]([O-])c1ccc(NCCOC2CCCCCC2)c(-c2nn[n-]n2)c1 ZINC000738368424 599306079 /nfs/dbraw/zinc/30/60/79/599306079.db2.gz DIDRNZJTYVWLLH-UHFFFAOYSA-N -1 3 346.391 2.926 20 5 EFBDHM O=C([O-])[C@@H](NCCNc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000833166854 600734096 /nfs/dbraw/zinc/73/40/96/600734096.db2.gz VTFOSCDAFHKJER-HNNXBMFYSA-N -1 3 333.319 2.561 20 5 EFBDHM O=C([O-])[C@@H](NCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000833166815 600734111 /nfs/dbraw/zinc/73/41/11/600734111.db2.gz VBVBERNLHDJRNA-HNNXBMFYSA-N -1 3 333.319 2.561 20 5 EFBDHM O=[N+]([O-])c1ccc(SCc2ccc(F)c(-c3nnn[n-]3)c2)nc1 ZINC000823645483 607466930 /nfs/dbraw/zinc/46/69/30/607466930.db2.gz RBVRLCLWTRUQQQ-UHFFFAOYSA-N -1 3 332.320 2.601 20 5 EFBDHM O=[N+]([O-])c1ccc(SCc2ccc(F)c(-c3nn[n-]n3)c2)nc1 ZINC000823645483 607466932 /nfs/dbraw/zinc/46/69/32/607466932.db2.gz RBVRLCLWTRUQQQ-UHFFFAOYSA-N -1 3 332.320 2.601 20 5 EFBDHM CCCCn1ncc(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1C ZINC000821081873 607467315 /nfs/dbraw/zinc/46/73/15/607467315.db2.gz COOKSGCPDCFTCD-UHFFFAOYSA-N -1 3 342.363 2.824 20 5 EFBDHM CCCCn1ncc(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1C ZINC000821081873 607467317 /nfs/dbraw/zinc/46/73/17/607467317.db2.gz COOKSGCPDCFTCD-UHFFFAOYSA-N -1 3 342.363 2.824 20 5 EFBDHM O=C(C[C@H]1C=CCC1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826403848 607525484 /nfs/dbraw/zinc/52/54/84/607525484.db2.gz FWQZIQPEHQTWHQ-QMMMGPOBSA-N -1 3 348.750 2.723 20 5 EFBDHM O=C(C[C@H]1C=CCC1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826403848 607525486 /nfs/dbraw/zinc/52/54/86/607525486.db2.gz FWQZIQPEHQTWHQ-QMMMGPOBSA-N -1 3 348.750 2.723 20 5 EFBDHM C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000827966202 601919374 /nfs/dbraw/zinc/91/93/74/601919374.db2.gz NHTHUXGFJVFRDX-MGPLVRAMSA-N -1 3 346.343 2.502 20 5 EFBDHM COc1ccc(CNc2c(C)cccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826203401 607558298 /nfs/dbraw/zinc/55/82/98/607558298.db2.gz MKCAITDTQAHXCP-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM COc1ccc(CNc2c(C)cccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826203401 607558300 /nfs/dbraw/zinc/55/83/00/607558300.db2.gz MKCAITDTQAHXCP-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM CC1(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000820623307 606423695 /nfs/dbraw/zinc/42/36/95/606423695.db2.gz LLMKIQXMYHBTGP-UHFFFAOYSA-N -1 3 325.332 2.535 20 5 EFBDHM CC1(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000820623307 606423699 /nfs/dbraw/zinc/42/36/99/606423699.db2.gz LLMKIQXMYHBTGP-UHFFFAOYSA-N -1 3 325.332 2.535 20 5 EFBDHM C[C@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000820507547 606462549 /nfs/dbraw/zinc/46/25/49/606462549.db2.gz HZLFUZAVNLHXDB-QMMMGPOBSA-N -1 3 345.340 2.754 20 5 EFBDHM C[C@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000820507547 606462551 /nfs/dbraw/zinc/46/25/51/606462551.db2.gz HZLFUZAVNLHXDB-QMMMGPOBSA-N -1 3 345.340 2.754 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822271136 606926188 /nfs/dbraw/zinc/92/61/88/606926188.db2.gz NRWCDQKXEVATEA-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822271136 606926189 /nfs/dbraw/zinc/92/61/89/606926189.db2.gz NRWCDQKXEVATEA-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM O=C(CSc1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000823070604 607015521 /nfs/dbraw/zinc/01/55/21/607015521.db2.gz GXNFHQVUNMVVNA-UHFFFAOYSA-N -1 3 341.352 2.750 20 5 EFBDHM O=C(CSc1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000823070604 607015522 /nfs/dbraw/zinc/01/55/22/607015522.db2.gz GXNFHQVUNMVVNA-UHFFFAOYSA-N -1 3 341.352 2.750 20 5 EFBDHM COc1cc(-c2nnn[n-]2)ccc1COc1cc(F)ccc1[N+](=O)[O-] ZINC000826173132 608260377 /nfs/dbraw/zinc/26/03/77/608260377.db2.gz OHJGMKGWGGLRQC-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1cc(-c2nn[n-]n2)ccc1COc1cc(F)ccc1[N+](=O)[O-] ZINC000826173132 608260378 /nfs/dbraw/zinc/26/03/78/608260378.db2.gz OHJGMKGWGGLRQC-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1cc(-c2nnn[n-]2)ccc1COc1ccc(C)c([N+](=O)[O-])c1 ZINC000826172941 608265681 /nfs/dbraw/zinc/26/56/81/608265681.db2.gz FITNJUOVVOZVHZ-UHFFFAOYSA-N -1 3 341.327 2.671 20 5 EFBDHM COc1cc(-c2nn[n-]n2)ccc1COc1ccc(C)c([N+](=O)[O-])c1 ZINC000826172941 608265683 /nfs/dbraw/zinc/26/56/83/608265683.db2.gz FITNJUOVVOZVHZ-UHFFFAOYSA-N -1 3 341.327 2.671 20 5 EFBDHM C[C@H](NCc1c(F)cccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000824605290 608489483 /nfs/dbraw/zinc/48/94/83/608489483.db2.gz HHFLHOQAZKHUQL-JTQLQIEISA-N -1 3 342.334 2.765 20 5 EFBDHM CC1(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000824838679 608556078 /nfs/dbraw/zinc/55/60/78/608556078.db2.gz SXRAHCFHUSYYAL-UHFFFAOYSA-N -1 3 336.355 2.744 20 5 EFBDHM CC1(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000824838679 608556079 /nfs/dbraw/zinc/55/60/79/608556079.db2.gz SXRAHCFHUSYYAL-UHFFFAOYSA-N -1 3 336.355 2.744 20 5 EFBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C1(CC)CCC1 ZINC001106911545 1252572065 /nfs/dbraw/zinc/57/20/65/1252572065.db2.gz CGJJOEQBMHSIEG-UHFFFAOYSA-N -1 3 336.392 2.536 20 5 EFBDHM CC(C(=O)NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-])=C1CCCC1 ZINC001107112676 1253118137 /nfs/dbraw/zinc/11/81/37/1253118137.db2.gz MDVVAUCPOMNMQX-SNAWJCMRSA-N -1 3 346.387 2.670 20 5 EFBDHM CC(C)(CC(=O)NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1 ZINC001107152699 1255095295 /nfs/dbraw/zinc/09/52/95/1255095295.db2.gz XHCDNDNMOWIDCA-ONEGZZNKSA-N -1 3 348.403 2.606 20 5 EFBDHM CC(C)(C)CCC(=O)NC/C=C\CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107290658 1255526076 /nfs/dbraw/zinc/52/60/76/1255526076.db2.gz SVNDFCBUINKMGW-PLNGDYQASA-N -1 3 336.392 2.606 20 5 EFBDHM O=c1cc(-c2nc(-c3ccc4ccc5cccnc5c4n3)no2)nc[n-]1 ZINC001212361762 1257971142 /nfs/dbraw/zinc/97/11/42/1257971142.db2.gz FLFOEBKPEFRNSO-UHFFFAOYSA-N -1 3 342.318 2.996 20 5 EFBDHM Cc1cccc(F)c1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000742328427 1269985645 /nfs/dbraw/zinc/98/56/45/1269985645.db2.gz WGFOCGQFMZTOCR-UHFFFAOYSA-N -1 3 342.323 2.660 20 5 EFBDHM O=C(NCC1(Nc2ccccc2[N+](=O)[O-])CC1)c1ccccc1[O-] ZINC001110075843 1275096707 /nfs/dbraw/zinc/09/67/07/1275096707.db2.gz QQQLIYSVXXFHCN-UHFFFAOYSA-N -1 3 327.340 2.675 20 5 EFBDHM O=C(CC1=CCCCC1)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001110082168 1275618576 /nfs/dbraw/zinc/61/85/76/1275618576.db2.gz XLXPUIUXHGTKGD-UHFFFAOYSA-N -1 3 346.387 2.647 20 5 EFBDHM C/C=C(/C)C(=O)N(C)CC(C)(C)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001113419005 1277789271 /nfs/dbraw/zinc/78/92/71/1277789271.db2.gz OLJOJHWKAOZAJA-WDZFZDKYSA-N -1 3 336.392 2.558 20 5 EFBDHM CN(CCCCCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C1CC1 ZINC001091723741 1281555061 /nfs/dbraw/zinc/55/50/61/1281555061.db2.gz RFZJFLQVYNLTEC-UHFFFAOYSA-N -1 3 336.392 2.536 20 5 EFBDHM CC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)c1[O-] ZINC000808188771 1281579440 /nfs/dbraw/zinc/57/94/40/1281579440.db2.gz DFLDFCNMGFBBTP-UHFFFAOYSA-N -1 3 343.339 2.821 20 5 EFBDHM CC(C)=CC(=O)NC1CC2(C1)CC(Nc1cc[n-]c(=O)c1[N+](=O)[O-])C2 ZINC001093418566 1283979413 /nfs/dbraw/zinc/97/94/13/1283979413.db2.gz FMPQWLSZIPYIIH-UHFFFAOYSA-N -1 3 346.387 2.501 20 5 EFBDHM O=C(CCCC1CCCC1)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093683056 1284378244 /nfs/dbraw/zinc/37/82/44/1284378244.db2.gz QBNIIIXZTYEZOF-UHFFFAOYSA-N -1 3 336.392 2.584 20 5 EFBDHM CC(C)CCCCCC(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093874803 1284588973 /nfs/dbraw/zinc/58/89/73/1284588973.db2.gz NESXHHDYZHLWHC-UHFFFAOYSA-N -1 3 338.408 2.830 20 5 EFBDHM CCCCC1(C(=O)NCCCNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001094771521 1285541294 /nfs/dbraw/zinc/54/12/94/1285541294.db2.gz SAZGNUIQJYIDDI-UHFFFAOYSA-N -1 3 336.392 2.584 20 5 EFBDHM CCn1cnnc1[N-]C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813578217 1285996179 /nfs/dbraw/zinc/99/61/79/1285996179.db2.gz NYUICHTXVTVRLE-UHFFFAOYSA-N -1 3 330.131 2.765 20 5 EFBDHM O=C(C=C1CCC1)NCCCCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094945139 1286253244 /nfs/dbraw/zinc/25/32/44/1286253244.db2.gz RJJHMOACPGCSAH-UHFFFAOYSA-N -1 3 348.403 2.894 20 5 EFBDHM COC([O-])=NC(=S)N(c1ccc([N+](=O)[O-])cc1)c1ccccc1N ZINC001174481215 1287032286 /nfs/dbraw/zinc/03/22/86/1287032286.db2.gz ZMOBXBNXNZIUMK-UHFFFAOYSA-N -1 3 346.368 2.956 20 5 EFBDHM O=C(NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1)C1=CCCCCC1 ZINC001110104936 1288871914 /nfs/dbraw/zinc/87/19/14/1288871914.db2.gz ZEPKHXWMLITJNL-UHFFFAOYSA-N -1 3 346.387 2.647 20 5 EFBDHM Cn1ccc2ccc(-c3noc(-c4cc([N+](=O)[O-])c[n-]c4=O)n3)cc21 ZINC001212935592 1290901783 /nfs/dbraw/zinc/90/17/83/1290901783.db2.gz BUXOMPPEYKPAOW-UHFFFAOYSA-N -1 3 337.295 2.904 20 5 EFBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nc(-c2ccc3ccncc3c2)no1 ZINC001212935814 1290902839 /nfs/dbraw/zinc/90/28/39/1290902839.db2.gz OJYSRCUNWPEOMV-UHFFFAOYSA-N -1 3 335.279 2.961 20 5 EFBDHM CCOc1cccc(-c2noc(-c3cc([N+](=O)[O-])c[n-]c3=O)n2)c1 ZINC001212935803 1290902925 /nfs/dbraw/zinc/90/29/25/1290902925.db2.gz NTNUUZBQLIRFFV-UHFFFAOYSA-N -1 3 328.284 2.811 20 5 EFBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nc(-c2cccc(OC3CC3)c2)no1 ZINC001212937332 1290904439 /nfs/dbraw/zinc/90/44/39/1290904439.db2.gz ZCFLSIBHGYCPIU-UHFFFAOYSA-N -1 3 340.295 2.954 20 5 EFBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nc(-c2ccc3cnccc3c2)no1 ZINC001212937299 1290904490 /nfs/dbraw/zinc/90/44/90/1290904490.db2.gz XKUIUKXKPDDUJW-UHFFFAOYSA-N -1 3 335.279 2.961 20 5 EFBDHM COc1cc(F)ccc1-c1noc(-c2cc([N+](=O)[O-])c[n-]c2=O)n1 ZINC001212937278 1290905105 /nfs/dbraw/zinc/90/51/05/1290905105.db2.gz WOIWCYFJIISBCI-UHFFFAOYSA-N -1 3 332.247 2.560 20 5 EFBDHM CCCOC(=O)[C@@H](C)Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233501167 1312945017 /nfs/dbraw/zinc/94/50/17/1312945017.db2.gz XDPOVWDIHQECBI-SSDOTTSWSA-N -1 3 327.724 2.845 20 5 EFBDHM CO[C@H](C)CO[C@@H](C)COc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233505674 1312946025 /nfs/dbraw/zinc/94/60/25/1312946025.db2.gz CTBIHHQCAYLLMR-BDAKNGLRSA-N -1 3 343.767 2.943 20 5 EFBDHM CO[C@H](C)CO[C@@H](C)COc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233505674 1312946027 /nfs/dbraw/zinc/94/60/27/1312946027.db2.gz CTBIHHQCAYLLMR-BDAKNGLRSA-N -1 3 343.767 2.943 20 5 EFBDHM CCOC(=O)[C@H]1C[C@@H](Oc2nc3cc(Cl)c([N+](=O)[O-])cc3[n-]2)C1 ZINC001233505732 1312947009 /nfs/dbraw/zinc/94/70/09/1312947009.db2.gz FAONJXKMHMUKOH-OCAPTIKFSA-N -1 3 339.735 2.845 20 5 EFBDHM O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1cccc2nn[n-]c21 ZINC000800207232 1293957878 /nfs/dbraw/zinc/95/78/78/1293957878.db2.gz QIWUIOQFAOKHLS-UHFFFAOYSA-N -1 3 332.703 2.877 20 5 EFBDHM O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1cccc2[n-]nnc21 ZINC000800207232 1293957882 /nfs/dbraw/zinc/95/78/82/1293957882.db2.gz QIWUIOQFAOKHLS-UHFFFAOYSA-N -1 3 332.703 2.877 20 5 EFBDHM O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1cccc2n[n-]nc21 ZINC000800207232 1293957886 /nfs/dbraw/zinc/95/78/86/1293957886.db2.gz QIWUIOQFAOKHLS-UHFFFAOYSA-N -1 3 332.703 2.877 20 5 EFBDHM O=c1[n-]cc(-c2nc(-c3ccc(OC4CC4)cc3)no2)cc1[N+](=O)[O-] ZINC001212843970 1295535110 /nfs/dbraw/zinc/53/51/10/1295535110.db2.gz HBNBGFOWWJVDPM-UHFFFAOYSA-N -1 3 340.295 2.954 20 5 EFBDHM CCOC(=O)c1nc(Cl)ncc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199819252 1295741045 /nfs/dbraw/zinc/74/10/45/1295741045.db2.gz MOEUOKQUTCQKHV-UHFFFAOYSA-N -1 3 338.707 2.664 20 5 EFBDHM Nc1cnc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(Br)c1 ZINC001199819506 1295741326 /nfs/dbraw/zinc/74/13/26/1295741326.db2.gz VHQWYBHQETYTNQ-UHFFFAOYSA-N -1 3 325.122 2.784 20 5 EFBDHM Cc1ncc(Nc2cc([O-])cc([N+](=O)[O-])c2)nc1Br ZINC001199819407 1295741457 /nfs/dbraw/zinc/74/14/57/1295741457.db2.gz QOGHRVCZGWDZDP-UHFFFAOYSA-N -1 3 325.122 2.905 20 5 EFBDHM CN1CCC[C@H](Oc2cc([O-])cc3oc4ccc(O)cc4c(=O)c23)C1 ZINC001234743983 1313187735 /nfs/dbraw/zinc/18/77/35/1313187735.db2.gz IGDAUEDRYFJICI-ZDUSSCGKSA-N -1 3 341.363 2.830 20 5 EFBDHM C[C@H](O)CCCC(=O)Oc1c([O-])cc(Br)cc1[N+](=O)[O-] ZINC001234876689 1313201828 /nfs/dbraw/zinc/20/18/28/1313201828.db2.gz JBDSSDZKOBFFPB-ZETCQYMHSA-N -1 3 348.149 2.519 20 5 EFBDHM CC1(C)NC(=O)Cc2cc(Nc3cc([O-])cc([N+](=O)[O-])c3)ccc21 ZINC001201232116 1296640772 /nfs/dbraw/zinc/64/07/72/1296640772.db2.gz OUKHWWIYYAIVIR-UHFFFAOYSA-N -1 3 327.340 2.951 20 5 EFBDHM Cc1ccc(-c2noc(-c3[n-]nc(C(F)(F)F)c3[N+](=O)[O-])n2)nc1 ZINC001212972753 1297322659 /nfs/dbraw/zinc/32/26/59/1297322659.db2.gz IDTBOEQNWZKFFW-UHFFFAOYSA-N -1 3 340.221 2.757 20 5 EFBDHM O=c1[n-]ccc(NC2CCC(O)(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000853479313 1300130819 /nfs/dbraw/zinc/13/08/19/1300130819.db2.gz CROZDCXXGZOQEH-UHFFFAOYSA-N -1 3 329.356 2.938 20 5 EFBDHM COc1cc(NCc2nc(C(F)(F)F)n[n-]2)c([N+](=O)[O-])cc1C ZINC000853484302 1300132052 /nfs/dbraw/zinc/13/20/52/1300132052.db2.gz FQAYAFGUPKWGMQ-UHFFFAOYSA-N -1 3 331.254 2.661 20 5 EFBDHM Cc1noc(COC(=O)CCCc2ccc([O-])c(F)c2)c1[N+](=O)[O-] ZINC000853910115 1300335623 /nfs/dbraw/zinc/33/56/23/1300335623.db2.gz HJYVGIFGRKREFM-UHFFFAOYSA-N -1 3 338.291 2.802 20 5 EFBDHM CCCC1(C(=O)N[C@H]2C[C@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)CCC1 ZINC001097090334 1313846696 /nfs/dbraw/zinc/84/66/96/1313846696.db2.gz HELZBIJZXPAEDB-HAQNSBGRSA-N -1 3 348.403 2.725 20 5 EFBDHM CC/C=C(\C)C(=O)NCCCN(c1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1 ZINC001096008834 1307057032 /nfs/dbraw/zinc/05/70/32/1307057032.db2.gz IBMJDNNQOLRBDD-LFYBBSHMSA-N -1 3 348.403 2.527 20 5 EFBDHM O=C(OCc1c(F)cccc1[N+](=O)[O-])c1cc(F)cc2[n-]nnc21 ZINC000800264284 1307637557 /nfs/dbraw/zinc/63/75/57/1307637557.db2.gz ZNINGHUQEILBBU-UHFFFAOYSA-N -1 3 334.238 2.501 20 5 EFBDHM O=C(OCc1c(F)cccc1[N+](=O)[O-])c1cc(F)cc2nn[n-]c21 ZINC000800264284 1307637561 /nfs/dbraw/zinc/63/75/61/1307637561.db2.gz ZNINGHUQEILBBU-UHFFFAOYSA-N -1 3 334.238 2.501 20 5 EFBDHM O=C(OCc1c(F)cccc1[N+](=O)[O-])c1cc(F)cc2n[n-]nc21 ZINC000800264284 1307637568 /nfs/dbraw/zinc/63/75/68/1307637568.db2.gz ZNINGHUQEILBBU-UHFFFAOYSA-N -1 3 334.238 2.501 20 5 EFBDHM CC(C)(CC(=O)[O-])NCc1cc(Br)c([N+](=O)[O-])s1 ZINC000901681151 1310879115 /nfs/dbraw/zinc/87/91/15/1310879115.db2.gz BPJJPMHMEZLZBH-UHFFFAOYSA-N -1 3 337.195 2.762 20 5 EFBDHM C=C/C(C)=C\CC(=O)NCCN(CCC)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001101215720 1311226785 /nfs/dbraw/zinc/22/67/85/1311226785.db2.gz CRQGFULIJQXSBC-MLPAPPSSSA-N -1 3 348.403 2.550 20 5 EFBDHM O=[N+]([O-])c1cnc(OC2CCN(c3ccccc3)CC2)c2[n-]cnc21 ZINC001227692007 1311839882 /nfs/dbraw/zinc/83/98/82/1311839882.db2.gz SGIMIIDWLZKJLM-UHFFFAOYSA-N -1 3 339.355 2.914 20 5 EFBDHM CC(C)Oc1cc(COc2ncc([N+](=O)[O-])c3nc[n-]c32)cnc1F ZINC001227689708 1311840038 /nfs/dbraw/zinc/84/00/38/1311840038.db2.gz CFBTYVPAVMLKIL-UHFFFAOYSA-N -1 3 347.306 2.766 20 5 EFBDHM CCOC(=O)C[C@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)C(F)(F)F ZINC001227744025 1311848298 /nfs/dbraw/zinc/84/82/98/1311848298.db2.gz CSBVEQKXIIAYNX-JTQLQIEISA-N -1 3 347.249 2.734 20 5 EFBDHM CCOC(=O)C[C@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)C(F)(F)F ZINC001227744025 1311848301 /nfs/dbraw/zinc/84/83/01/1311848301.db2.gz CSBVEQKXIIAYNX-JTQLQIEISA-N -1 3 347.249 2.734 20 5 EFBDHM COC(=O)CC1CCC(Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)CC1 ZINC001227743461 1311848565 /nfs/dbraw/zinc/84/85/65/1311848565.db2.gz PWAYJZBGEGSCMX-UHFFFAOYSA-N -1 3 333.344 2.972 20 5 EFBDHM COC(=O)CC1CCC(Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)CC1 ZINC001227743461 1311848568 /nfs/dbraw/zinc/84/85/68/1311848568.db2.gz PWAYJZBGEGSCMX-UHFFFAOYSA-N -1 3 333.344 2.972 20 5 EFBDHM C[C@H](C[N+](C)(C)C)Oc1cc([O-])ccc1C(=O)c1ccc(O)cc1[O-] ZINC001228123483 1311903648 /nfs/dbraw/zinc/90/36/48/1311903648.db2.gz TYKYWBIUZCXSQL-GFCCVEGCSA-O -1 3 346.403 2.508 20 5 EFBDHM COC(=O)c1ccc([C@H](C)Oc2cc(=O)[n-]c(C)c2[N+](=O)[O-])cc1 ZINC001228686514 1311981786 /nfs/dbraw/zinc/98/17/86/1311981786.db2.gz NNZNEMFWUHACCX-JTQLQIEISA-N -1 3 332.312 2.930 20 5 EFBDHM COc1cccc(OC[C@H](C)Oc2cc(=O)[n-]c(C)c2[N+](=O)[O-])c1 ZINC001228688890 1311982509 /nfs/dbraw/zinc/98/25/09/1311982509.db2.gz MNIFAKISPQARKM-JTQLQIEISA-N -1 3 334.328 2.859 20 5 EFBDHM Cc1[n-]c(=O)cc(O[C@@H](C)c2cc(Br)no2)c1[N+](=O)[O-] ZINC001228688575 1311982768 /nfs/dbraw/zinc/98/27/68/1311982768.db2.gz JZGKCAKZKJXCAS-LURJTMIESA-N -1 3 344.121 2.894 20 5 EFBDHM CC(C)N1CCC[C@@H](Oc2[n-]c(C(F)(F)F)cc(=O)c2[N+](=O)[O-])C1 ZINC001228858084 1312010683 /nfs/dbraw/zinc/01/06/83/1312010683.db2.gz CFLNNCROPYGWMH-SECBINFHSA-N -1 3 349.309 2.966 20 5 EFBDHM Cc1cc(=O)c([N+](=O)[O-])c(O[C@@H]2CCN(Cc3ccccc3)C2)[n-]1 ZINC001231258630 1312465557 /nfs/dbraw/zinc/46/55/57/1312465557.db2.gz BEZZRLCMQZHYSU-CQSZACIVSA-N -1 3 329.356 2.657 20 5 EFBDHM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC001231258630 1312465559 /nfs/dbraw/zinc/46/55/59/1312465559.db2.gz BEZZRLCMQZHYSU-CQSZACIVSA-N -1 3 329.356 2.657 20 5 EFBDHM O=c1[nH][n-]cc1CCCNc1nc(-c2ccccc2)ccc1[N+](=O)[O-] ZINC001164370764 1312502174 /nfs/dbraw/zinc/50/21/74/1312502174.db2.gz LPRWSFFOIFUCIN-CYBMUJFWSA-N -1 3 339.355 2.581 20 5 EFBDHM O=C(CC1CCC1)N1CCC(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001057486994 1315786212 /nfs/dbraw/zinc/78/62/12/1315786212.db2.gz GVEICSAEDXRLAB-UHFFFAOYSA-N -1 3 348.403 2.536 20 5 EFBDHM O=c1[nH][n-]cc1CCCNc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001262554665 1316471574 /nfs/dbraw/zinc/47/15/74/1316471574.db2.gz NUHZQKABHNEEBW-MRVPVSSYSA-N -1 3 330.266 2.538 20 5 EFBDHM O=C([N-]c1nnc(-c2ccncc2)s1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001319220665 1328811534 /nfs/dbraw/zinc/81/15/34/1328811534.db2.gz CFPKCWIJYDUSAT-UHFFFAOYSA-N -1 3 345.315 2.900 20 5 EFBDHM O=C(Nc1ccn(C2CCCCC2)n1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001322027834 1329423387 /nfs/dbraw/zinc/42/33/87/1329423387.db2.gz DXLAQGHZBXTYTM-UHFFFAOYSA-N -1 3 331.332 2.649 20 5 EFBDHM Cc1cc(C)c(S(=O)(=O)[N-]C2(C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC001331252692 1330810204 /nfs/dbraw/zinc/81/02/04/1330810204.db2.gz IJMHGFZLFFIBGN-UHFFFAOYSA-N -1 3 338.307 2.585 20 5 EFBDHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]C1(C(F)(F)F)CC1 ZINC001331700735 1330867661 /nfs/dbraw/zinc/86/76/61/1330867661.db2.gz CGJFCODSQADBNH-UHFFFAOYSA-N -1 3 338.307 2.585 20 5 EFBDHM CCc1ccc(S(=O)(=O)[N-]C2(C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC001332365614 1330963615 /nfs/dbraw/zinc/96/36/15/1330963615.db2.gz OALYYKLUFUJSRS-UHFFFAOYSA-N -1 3 338.307 2.530 20 5 EFBDHM C[C@@H]1CCc2ccccc2N1CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001333671785 1331191188 /nfs/dbraw/zinc/19/11/88/1331191188.db2.gz PLZNEABUCCKFHB-GFCCVEGCSA-N -1 3 328.372 2.949 20 5 EFBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]C2(C(F)(F)F)CC2)c1C ZINC001334031894 1331241034 /nfs/dbraw/zinc/24/10/34/1331241034.db2.gz HKGRXQHRDOFDMV-UHFFFAOYSA-N -1 3 338.307 2.585 20 5 EFBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]CCCC(F)F)cc1[N+](=O)[O-] ZINC001350877366 1333145507 /nfs/dbraw/zinc/14/55/07/1333145507.db2.gz XBXMTOZFKBDBLO-UHFFFAOYSA-N -1 3 342.751 2.880 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C=CCC2)c(C(F)(F)F)c1 ZINC000849431371 1335614348 /nfs/dbraw/zinc/61/43/48/1335614348.db2.gz XLJHCXJLYWVPCV-QMMMGPOBSA-N -1 3 336.291 2.611 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1cccc(-c2nn[n-]n2)c1 ZINC000822271019 1443359520 /nfs/dbraw/zinc/35/95/20/1443359520.db2.gz IUQOXRGBPFJLIB-GFCCVEGCSA-N -1 3 338.371 2.934 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1cccc(-c2nnn[n-]2)c1 ZINC000822271019 1443359526 /nfs/dbraw/zinc/35/95/26/1443359526.db2.gz IUQOXRGBPFJLIB-GFCCVEGCSA-N -1 3 338.371 2.934 20 5 EFBDHM Cc1nnc([N-]C(=O)c2cccc([N+](=O)[O-])c2Br)s1 ZINC000167219508 717899209 /nfs/dbraw/zinc/89/92/09/717899209.db2.gz JXICVFLJZGFTLY-UHFFFAOYSA-N -1 3 343.162 2.770 20 5 EFBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[N-]OCc1ccccc1 ZINC000179356733 717393793 /nfs/dbraw/zinc/39/37/93/717393793.db2.gz LCJMVUSHUBKTLT-UHFFFAOYSA-N -1 3 325.324 2.867 20 5 EFBDHM Cn1ncc([N+](=O)[O-])c1C(=O)[N-]c1ccccc1SC(F)F ZINC000179507637 717686303 /nfs/dbraw/zinc/68/63/03/717686303.db2.gz BQYDFHAVQGASDJ-UHFFFAOYSA-N -1 3 328.300 2.895 20 5 EFBDHM O=C(N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1[O-] ZINC001059553981 724494891 /nfs/dbraw/zinc/49/48/91/724494891.db2.gz IIYYTZMRCMDPPW-BETUJISGSA-N -1 3 327.340 2.673 20 5 EFBDHM CS[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000866883940 719660468 /nfs/dbraw/zinc/66/04/68/719660468.db2.gz APAXMUDZJHFKQW-NXEZZACHSA-N -1 3 348.421 2.605 20 5 EFBDHM COc1c([O-])ccc(CNc2ccc3c(c2)N(C)CCO3)c1[N+](=O)[O-] ZINC000893369692 721082454 /nfs/dbraw/zinc/08/24/54/721082454.db2.gz ZXONVGOISYJCQW-UHFFFAOYSA-N -1 3 345.355 2.750 20 5 EFBDHM O=C(N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1)C1=CCCCCC1 ZINC001059199015 722891568 /nfs/dbraw/zinc/89/15/68/722891568.db2.gz QRLCYDNAKPJQQG-JOCQHMNTSA-N -1 3 346.387 2.645 20 5 EFBDHM C[C@@H](N/C=C1/C(=O)[N-]C(=O)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000055008320 727896864 /nfs/dbraw/zinc/89/68/64/727896864.db2.gz RRSBDLVZFDSBMI-HPUUJOOBSA-N -1 3 337.335 2.557 20 5 EFBDHM CC1(c2ccccc2)CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001575855879 949239994 /nfs/dbraw/zinc/23/99/94/949239994.db2.gz BFDONVOFQLCMOU-UHFFFAOYSA-N -1 3 336.355 2.553 20 5 EFBDHM CC1(c2ccccc2)CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001575855879 949240012 /nfs/dbraw/zinc/24/00/12/949240012.db2.gz BFDONVOFQLCMOU-UHFFFAOYSA-N -1 3 336.355 2.553 20 5 EFBDHM CC[C@]1(C(=O)[O-])CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001589606262 949277782 /nfs/dbraw/zinc/27/77/82/949277782.db2.gz HFLABYFQCNIYAN-INIZCTEOSA-N -1 3 333.344 2.813 20 5 EFBDHM CC([C@@H](OC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)c1ccccc1F)[N+](=O)[O-] ZINC001588607132 959484567 /nfs/dbraw/zinc/48/45/67/959484567.db2.gz PTBSYWUKIIMKSV-KZWBYHQPSA-N -1 3 339.319 2.576 20 5 EFBDHM CC(C)C[C@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)CC(=O)[O-] ZINC001588898514 962234833 /nfs/dbraw/zinc/23/48/33/962234833.db2.gz AQEJRMYYLAPUMS-NSHDSACASA-N -1 3 335.360 2.963 20 5 EFBDHM C[C@@](CCF)(NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)[O-] ZINC001592507937 978330573 /nfs/dbraw/zinc/33/05/73/978330573.db2.gz XCOBDVMDESGUGU-HNNXBMFYSA-N -1 3 337.307 2.542 20 5 EFBDHM CCC(CC)(NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)[O-] ZINC001595101705 979411664 /nfs/dbraw/zinc/41/16/64/979411664.db2.gz YSYXNLMYDCALGY-UHFFFAOYSA-N -1 3 333.344 2.983 20 5 EFBDHM CC[C@@](C)(CC(=O)[O-])NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001594828731 981997909 /nfs/dbraw/zinc/99/79/09/981997909.db2.gz KWHIDYDTDAKRFU-INIZCTEOSA-N -1 3 333.344 2.983 20 5 EFBDHM CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](COC1CCC1)C(=O)[O-] ZINC001598517965 992641560 /nfs/dbraw/zinc/64/15/60/992641560.db2.gz MJFIVWWDEHPPIW-CQSZACIVSA-N -1 3 342.779 2.702 20 5 EFBDHM CN1CCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])CCC1(C)C ZINC001598619814 993982927 /nfs/dbraw/zinc/98/29/27/993982927.db2.gz LLLMWKUSKPSXCF-UHFFFAOYSA-N -1 3 341.795 2.867 20 5 EFBDHM C[C@@](NCc1ccc2c[nH]nc2c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593304275 994743749 /nfs/dbraw/zinc/74/37/49/994743749.db2.gz KITXJQVIMKMKPV-KRWDZBQOSA-N -1 3 340.339 2.561 20 5 EFBDHM CC1(C)CC[C@@H](CCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)OC1 ZINC001575663481 1088617244 /nfs/dbraw/zinc/61/72/44/1088617244.db2.gz AIKBCHGRLLIJIF-LBPRGKRZSA-N -1 3 346.391 2.782 20 5 EFBDHM CC1(C)CC[C@@H](CCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)OC1 ZINC001575663481 1088617253 /nfs/dbraw/zinc/61/72/53/1088617253.db2.gz AIKBCHGRLLIJIF-LBPRGKRZSA-N -1 3 346.391 2.782 20 5 EFBDHM CC1(C)CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001575674887 1088624073 /nfs/dbraw/zinc/62/40/73/1088624073.db2.gz WNCFUKYSRVRHLO-SNVBAGLBSA-N -1 3 331.380 2.798 20 5 EFBDHM CC1(C)CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001575674887 1088624083 /nfs/dbraw/zinc/62/40/83/1088624083.db2.gz WNCFUKYSRVRHLO-SNVBAGLBSA-N -1 3 331.380 2.798 20 5 EFBDHM C[C@H]1c2sccc2CCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001576397995 1089190891 /nfs/dbraw/zinc/19/08/91/1089190891.db2.gz ALBYQJLMSBGXLT-VIFPVBQESA-N -1 3 342.384 2.960 20 5 EFBDHM C[C@H]1c2sccc2CCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001576397995 1089190910 /nfs/dbraw/zinc/19/09/10/1089190910.db2.gz ALBYQJLMSBGXLT-VIFPVBQESA-N -1 3 342.384 2.960 20 5 EFBDHM C[C@H]1c2sccc2CCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001576398906 1089191099 /nfs/dbraw/zinc/19/10/99/1089191099.db2.gz RAGWGKFALWBBCT-VIFPVBQESA-N -1 3 342.384 2.960 20 5 EFBDHM C[C@H]1c2sccc2CCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001576398906 1089191113 /nfs/dbraw/zinc/19/11/13/1089191113.db2.gz RAGWGKFALWBBCT-VIFPVBQESA-N -1 3 342.384 2.960 20 5 EFBDHM CCC1(CC)CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)CC1 ZINC001577109977 1089665290 /nfs/dbraw/zinc/66/52/90/1089665290.db2.gz HUKGANSZPWPVQL-UHFFFAOYSA-N -1 3 345.407 2.764 20 5 EFBDHM CCC1(CC)CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)CC1 ZINC001577109977 1089665298 /nfs/dbraw/zinc/66/52/98/1089665298.db2.gz HUKGANSZPWPVQL-UHFFFAOYSA-N -1 3 345.407 2.764 20 5 EFBDHM CCC1CCC(CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001577145510 1089697599 /nfs/dbraw/zinc/69/75/99/1089697599.db2.gz AGWSSNNBNHJWMF-UHFFFAOYSA-N -1 3 331.380 2.798 20 5 EFBDHM CCC1CCC(CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001577145510 1089697604 /nfs/dbraw/zinc/69/76/04/1089697604.db2.gz AGWSSNNBNHJWMF-UHFFFAOYSA-N -1 3 331.380 2.798 20 5 EFBDHM C[C@@H](Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC001580308974 1090856991 /nfs/dbraw/zinc/85/69/91/1090856991.db2.gz UQZRETBEBSVJBC-MRVPVSSYSA-N -1 3 345.750 2.996 20 5 EFBDHM C[C@@H](Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC001580308974 1090856994 /nfs/dbraw/zinc/85/69/94/1090856994.db2.gz UQZRETBEBSVJBC-MRVPVSSYSA-N -1 3 345.750 2.996 20 5 EFBDHM Cc1cc(Oc2ccc(Cl)nc2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001581044023 1091065833 /nfs/dbraw/zinc/06/58/33/1091065833.db2.gz NGPXERUOFFLAQA-UHFFFAOYSA-N -1 3 332.707 2.924 20 5 EFBDHM Cc1cc(Oc2ccc(Cl)nc2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001581044023 1091065839 /nfs/dbraw/zinc/06/58/39/1091065839.db2.gz NGPXERUOFFLAQA-UHFFFAOYSA-N -1 3 332.707 2.924 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(NC[C@H]2CCC[C@@H]2C2CC2)c1-c1nnn[n-]1 ZINC001581909876 1091334544 /nfs/dbraw/zinc/33/45/44/1091334544.db2.gz YRZMLIPRZQEAGP-GHMZBOCLSA-N -1 3 343.391 2.595 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(NC[C@H]2CCC[C@@H]2C2CC2)c1-c1nn[n-]n1 ZINC001581909876 1091334554 /nfs/dbraw/zinc/33/45/54/1091334554.db2.gz YRZMLIPRZQEAGP-GHMZBOCLSA-N -1 3 343.391 2.595 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001582804009 1091668153 /nfs/dbraw/zinc/66/81/53/1091668153.db2.gz ZXNMTYXEURNKQW-HOTUBEGUSA-N -1 3 332.339 2.905 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001582804009 1091668158 /nfs/dbraw/zinc/66/81/58/1091668158.db2.gz ZXNMTYXEURNKQW-HOTUBEGUSA-N -1 3 332.339 2.905 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1Oc1ccc2c[nH]nc2c1 ZINC001582803662 1091668772 /nfs/dbraw/zinc/66/87/72/1091668772.db2.gz PNYVKBMDAMGFIP-UHFFFAOYSA-N -1 3 341.262 2.583 20 5 EFBDHM O=[N+]([O-])c1ccc(NC2CC(Cl)(Cl)C2)c(-c2nnn[n-]2)c1 ZINC001582804118 1091669282 /nfs/dbraw/zinc/66/92/82/1091669282.db2.gz JTGIWGUJUKZJNT-UHFFFAOYSA-N -1 3 329.147 2.523 20 5 EFBDHM O=[N+]([O-])c1ccc(NC2CC(Cl)(Cl)C2)c(-c2nn[n-]n2)c1 ZINC001582804118 1091669286 /nfs/dbraw/zinc/66/92/86/1091669286.db2.gz JTGIWGUJUKZJNT-UHFFFAOYSA-N -1 3 329.147 2.523 20 5 EFBDHM O=[N+]([O-])c1cnc(Sc2ccc(-c3nnn[n-]3)cc2F)c(F)c1 ZINC001582804529 1091670507 /nfs/dbraw/zinc/67/05/07/1091670507.db2.gz FLQICCVDRZMPIW-UHFFFAOYSA-N -1 3 336.283 2.599 20 5 EFBDHM O=[N+]([O-])c1cnc(Sc2ccc(-c3nn[n-]n3)cc2F)c(F)c1 ZINC001582804529 1091670510 /nfs/dbraw/zinc/67/05/10/1091670510.db2.gz FLQICCVDRZMPIW-UHFFFAOYSA-N -1 3 336.283 2.599 20 5 EFBDHM O=[N+]([O-])c1sccc1OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC001582805072 1091670608 /nfs/dbraw/zinc/67/06/08/1091670608.db2.gz XZHCIHCTIFWZFH-UHFFFAOYSA-N -1 3 347.356 2.684 20 5 EFBDHM O=[N+]([O-])c1sccc1OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC001582805072 1091670611 /nfs/dbraw/zinc/67/06/11/1091670611.db2.gz XZHCIHCTIFWZFH-UHFFFAOYSA-N -1 3 347.356 2.684 20 5 EFBDHM CC/C(C)=C\C(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC1 ZINC001104394473 1092339609 /nfs/dbraw/zinc/33/96/09/1092339609.db2.gz LICGKLPUICBWSK-BENRWUELSA-N -1 3 348.403 2.893 20 5 EFBDHM CC(C)(C)C(F)(F)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589092383 1093028365 /nfs/dbraw/zinc/02/83/65/1093028365.db2.gz GVARYUVKDVFDIW-UHFFFAOYSA-N -1 3 326.307 2.868 20 5 EFBDHM CC(C)(C)C(F)(F)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589092383 1093028379 /nfs/dbraw/zinc/02/83/79/1093028379.db2.gz GVARYUVKDVFDIW-UHFFFAOYSA-N -1 3 326.307 2.868 20 5 EFBDHM CC(C)(C)O[C@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001589198414 1093046000 /nfs/dbraw/zinc/04/60/00/1093046000.db2.gz TXUHAMXXONUGCN-PHIMTYICSA-N -1 3 332.364 2.533 20 5 EFBDHM CC(C)(C)O[C@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001589198414 1093046010 /nfs/dbraw/zinc/04/60/10/1093046010.db2.gz TXUHAMXXONUGCN-PHIMTYICSA-N -1 3 332.364 2.533 20 5 EFBDHM CC(C)C(CNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1)C(C)C ZINC001589456223 1093085397 /nfs/dbraw/zinc/08/53/97/1093085397.db2.gz CFTAXBHKWSMMNJ-UHFFFAOYSA-N -1 3 333.396 2.697 20 5 EFBDHM CC(C)C(CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1)C(C)C ZINC001589456223 1093085406 /nfs/dbraw/zinc/08/54/06/1093085406.db2.gz CFTAXBHKWSMMNJ-UHFFFAOYSA-N -1 3 333.396 2.697 20 5 EFBDHM CCC1(C(=O)NCC2(Nc3cc[n-]c(=O)c3[N+](=O)[O-])CCCC2)CC1 ZINC001104427251 1093092732 /nfs/dbraw/zinc/09/27/32/1093092732.db2.gz OAQYAKZWLYQXLE-UHFFFAOYSA-N -1 3 348.403 2.727 20 5 EFBDHM CC(C)CC(C)(C)C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589541718 1093105161 /nfs/dbraw/zinc/10/51/61/1093105161.db2.gz QVLDSVNDRNSHBP-UHFFFAOYSA-N -1 3 347.375 2.890 20 5 EFBDHM CC(C)CC(C)(C)C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589541718 1093105164 /nfs/dbraw/zinc/10/51/64/1093105164.db2.gz QVLDSVNDRNSHBP-UHFFFAOYSA-N -1 3 347.375 2.890 20 5 EFBDHM C[C@@H](CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1 ZINC001589833042 1093156142 /nfs/dbraw/zinc/15/61/42/1093156142.db2.gz FZFIGMOYOPNMFX-NSHDSACASA-N -1 3 339.359 2.776 20 5 EFBDHM C[C@@H](CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccccc1 ZINC001589833042 1093156144 /nfs/dbraw/zinc/15/61/44/1093156144.db2.gz FZFIGMOYOPNMFX-NSHDSACASA-N -1 3 339.359 2.776 20 5 EFBDHM C[C@H](CCc1ccccc1)Nc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589837493 1093159506 /nfs/dbraw/zinc/15/95/06/1093159506.db2.gz XMBMRNKOZXEVGC-LLVKDONJSA-N -1 3 339.359 2.603 20 5 EFBDHM C[C@H](CCc1ccccc1)Nc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589837493 1093159509 /nfs/dbraw/zinc/15/95/09/1093159509.db2.gz XMBMRNKOZXEVGC-LLVKDONJSA-N -1 3 339.359 2.603 20 5 EFBDHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)c1ccccc1[N+](=O)[O-] ZINC001589880537 1093164611 /nfs/dbraw/zinc/16/46/11/1093164611.db2.gz CTPDJSSTRKEYAK-VIFPVBQESA-N -1 3 343.322 2.525 20 5 EFBDHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)c1ccccc1[N+](=O)[O-] ZINC001589880537 1093164615 /nfs/dbraw/zinc/16/46/15/1093164615.db2.gz CTPDJSSTRKEYAK-VIFPVBQESA-N -1 3 343.322 2.525 20 5 EFBDHM C[C@@H](Cc1ccccc1F)Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589899628 1093172336 /nfs/dbraw/zinc/17/23/36/1093172336.db2.gz NJARITPCJXQJMW-JTQLQIEISA-N -1 3 342.334 2.957 20 5 EFBDHM C[C@@H](Cc1ccccc1F)Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589899628 1093172338 /nfs/dbraw/zinc/17/23/38/1093172338.db2.gz NJARITPCJXQJMW-JTQLQIEISA-N -1 3 342.334 2.957 20 5 EFBDHM C[C@H](Cc1ccccc1F)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001589899115 1093172419 /nfs/dbraw/zinc/17/24/19/1093172419.db2.gz DXYGXECYMMFVOU-SNVBAGLBSA-N -1 3 342.334 2.957 20 5 EFBDHM CC1(C)C[C@@H](Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCS1 ZINC001590083947 1093257295 /nfs/dbraw/zinc/25/72/95/1093257295.db2.gz PSMMHKJCTCIBLH-VIFPVBQESA-N -1 3 334.405 2.861 20 5 EFBDHM CC1(C)C[C@@H](Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCS1 ZINC001590083947 1093257301 /nfs/dbraw/zinc/25/73/01/1093257301.db2.gz PSMMHKJCTCIBLH-VIFPVBQESA-N -1 3 334.405 2.861 20 5 EFBDHM CC1(C)CCC[C@@H](CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])O1 ZINC001590093417 1093263668 /nfs/dbraw/zinc/26/36/68/1093263668.db2.gz IWWZZPUANCBKKW-JTQLQIEISA-N -1 3 332.364 2.535 20 5 EFBDHM CC1(C)CCC[C@@H](CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])O1 ZINC001590093417 1093263673 /nfs/dbraw/zinc/26/36/73/1093263673.db2.gz IWWZZPUANCBKKW-JTQLQIEISA-N -1 3 332.364 2.535 20 5 EFBDHM CC1(C)CCC[C@H](CNc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001590095751 1093267499 /nfs/dbraw/zinc/26/74/99/1093267499.db2.gz ZLEWYTSYQGKGQE-JTQLQIEISA-N -1 3 345.407 2.985 20 5 EFBDHM CC1(C)CCC[C@H](CNc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001590095751 1093267503 /nfs/dbraw/zinc/26/75/03/1093267503.db2.gz ZLEWYTSYQGKGQE-JTQLQIEISA-N -1 3 345.407 2.985 20 5 EFBDHM C[C@]1(CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H]2C[C@H]2C1 ZINC001590133388 1093281176 /nfs/dbraw/zinc/28/11/76/1093281176.db2.gz AUAFNYDKKDDVRH-ZZCKJEPUSA-N -1 3 332.339 2.762 20 5 EFBDHM C[C@]1(CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H]2C[C@H]2C1 ZINC001590133388 1093281179 /nfs/dbraw/zinc/28/11/79/1093281179.db2.gz AUAFNYDKKDDVRH-ZZCKJEPUSA-N -1 3 332.339 2.762 20 5 EFBDHM C[C@]1(c2ccccc2)C[C@H]1Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590152231 1093285211 /nfs/dbraw/zinc/28/52/11/1093285211.db2.gz STZDPXULBKMQOJ-RHSMWYFYSA-N -1 3 336.355 2.917 20 5 EFBDHM C[C@]1(c2ccccc2)C[C@H]1Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590152231 1093285216 /nfs/dbraw/zinc/28/52/16/1093285216.db2.gz STZDPXULBKMQOJ-RHSMWYFYSA-N -1 3 336.355 2.917 20 5 EFBDHM C[C@H]1C[C@H](Nc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])CCS1 ZINC001590206805 1093303404 /nfs/dbraw/zinc/30/34/04/1093303404.db2.gz LMROGYYBHGHDPS-JGVFFNPUSA-N -1 3 338.368 2.610 20 5 EFBDHM C[C@H]1C[C@H](Nc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])CCS1 ZINC001590206805 1093303412 /nfs/dbraw/zinc/30/34/12/1093303412.db2.gz LMROGYYBHGHDPS-JGVFFNPUSA-N -1 3 338.368 2.610 20 5 EFBDHM CC1CCC(C)(CNc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)CC1 ZINC001590225331 1093313906 /nfs/dbraw/zinc/31/39/06/1093313906.db2.gz MPKWLSYBBBZGEM-UHFFFAOYSA-N -1 3 345.407 2.985 20 5 EFBDHM CC1CCC(C)(CNc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)CC1 ZINC001590225331 1093313912 /nfs/dbraw/zinc/31/39/12/1093313912.db2.gz MPKWLSYBBBZGEM-UHFFFAOYSA-N -1 3 345.407 2.985 20 5 EFBDHM C[C@@H]1CCCC[C@H]1CCNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001590250513 1093338262 /nfs/dbraw/zinc/33/82/62/1093338262.db2.gz FKJSLGJGKRWDKO-MNOVXSKESA-N -1 3 345.407 2.985 20 5 EFBDHM C[C@@H]1CCCC[C@H]1CCNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001590250513 1093338266 /nfs/dbraw/zinc/33/82/66/1093338266.db2.gz FKJSLGJGKRWDKO-MNOVXSKESA-N -1 3 345.407 2.985 20 5 EFBDHM C[C@H]1CCCC[C@H]1OCCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590254473 1093342735 /nfs/dbraw/zinc/34/27/35/1093342735.db2.gz MOORWEFYTHRFAD-SMDDNHRTSA-N -1 3 346.391 2.782 20 5 EFBDHM C[C@H]1CCCC[C@H]1OCCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590254473 1093342744 /nfs/dbraw/zinc/34/27/44/1093342744.db2.gz MOORWEFYTHRFAD-SMDDNHRTSA-N -1 3 346.391 2.782 20 5 EFBDHM C[C@H]1c2ccsc2CCN1c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001590336424 1093381460 /nfs/dbraw/zinc/38/14/60/1093381460.db2.gz CZWPDCNSLYRUPU-VIFPVBQESA-N -1 3 342.384 2.960 20 5 EFBDHM C[C@H]1c2ccsc2CCN1c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001590336424 1093381463 /nfs/dbraw/zinc/38/14/63/1093381463.db2.gz CZWPDCNSLYRUPU-VIFPVBQESA-N -1 3 342.384 2.960 20 5 EFBDHM CC[C@@](C)(NCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C(F)(F)F ZINC001590382422 1093399450 /nfs/dbraw/zinc/39/94/50/1093399450.db2.gz NSPRUVJTUYZLEX-GFCCVEGCSA-N -1 3 344.297 2.596 20 5 EFBDHM CC[C@@](C)(NCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C(F)(F)F ZINC001590382422 1093399457 /nfs/dbraw/zinc/39/94/57/1093399457.db2.gz NSPRUVJTUYZLEX-GFCCVEGCSA-N -1 3 344.297 2.596 20 5 EFBDHM CCC(CC)(CCO)CNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590426734 1093418167 /nfs/dbraw/zinc/41/81/67/1093418167.db2.gz JMCCFNIHFMBFKP-UHFFFAOYSA-N -1 3 348.407 2.684 20 5 EFBDHM CCC(CC)(CCO)CNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590426734 1093418172 /nfs/dbraw/zinc/41/81/72/1093418172.db2.gz JMCCFNIHFMBFKP-UHFFFAOYSA-N -1 3 348.407 2.684 20 5 EFBDHM CCC[C@@H](O)CCCSc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590560807 1093487620 /nfs/dbraw/zinc/48/76/20/1093487620.db2.gz QSQXNMXOVBHSLJ-LLVKDONJSA-N -1 3 337.405 2.808 20 5 EFBDHM CCC[C@@H](O)CCCSc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590560807 1093487624 /nfs/dbraw/zinc/48/76/24/1093487624.db2.gz QSQXNMXOVBHSLJ-LLVKDONJSA-N -1 3 337.405 2.808 20 5 EFBDHM CCS[C@@H]1CCCCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001590852733 1093599265 /nfs/dbraw/zinc/59/92/65/1093599265.db2.gz NSMPOYBTBLUKNW-GFCCVEGCSA-N -1 3 348.432 2.887 20 5 EFBDHM CCS[C@@H]1CCCCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001590852733 1093599270 /nfs/dbraw/zinc/59/92/70/1093599270.db2.gz NSMPOYBTBLUKNW-GFCCVEGCSA-N -1 3 348.432 2.887 20 5 EFBDHM CCc1nn(C)c(Oc2ccc(-c3nnn[n-]3)cc2Cl)c1[N+](=O)[O-] ZINC001590929183 1093634580 /nfs/dbraw/zinc/63/45/80/1093634580.db2.gz XMQSIPBPAYCTEN-UHFFFAOYSA-N -1 3 349.738 2.517 20 5 EFBDHM CCc1nn(C)c(Oc2ccc(-c3nn[n-]n3)cc2Cl)c1[N+](=O)[O-] ZINC001590929183 1093634585 /nfs/dbraw/zinc/63/45/85/1093634585.db2.gz XMQSIPBPAYCTEN-UHFFFAOYSA-N -1 3 349.738 2.517 20 5 EFBDHM CN(Cc1cc2ccccc2[nH]1)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001591133984 1093668032 /nfs/dbraw/zinc/66/80/32/1093668032.db2.gz MSYBGGJXYODZBA-UHFFFAOYSA-N -1 3 349.354 2.893 20 5 EFBDHM CN(Cc1cc2ccccc2[nH]1)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591133984 1093668035 /nfs/dbraw/zinc/66/80/35/1093668035.db2.gz MSYBGGJXYODZBA-UHFFFAOYSA-N -1 3 349.354 2.893 20 5 EFBDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC001591136553 1093669827 /nfs/dbraw/zinc/66/98/27/1093669827.db2.gz DLQUPTJDJDXTNH-UHFFFAOYSA-N -1 3 328.307 2.550 20 5 EFBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC001591136553 1093669829 /nfs/dbraw/zinc/66/98/29/1093669829.db2.gz DLQUPTJDJDXTNH-UHFFFAOYSA-N -1 3 328.307 2.550 20 5 EFBDHM CN(Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC001591137009 1093670366 /nfs/dbraw/zinc/67/03/66/1093670366.db2.gz NHUBBKUQHSLNFZ-UHFFFAOYSA-N -1 3 346.297 2.690 20 5 EFBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC001591137009 1093670371 /nfs/dbraw/zinc/67/03/71/1093670371.db2.gz NHUBBKUQHSLNFZ-UHFFFAOYSA-N -1 3 346.297 2.690 20 5 EFBDHM CN(Cc1ccccc1[N+](=O)[O-])c1c(F)cc(-c2nnn[n-]2)cc1F ZINC001591147535 1093674437 /nfs/dbraw/zinc/67/44/37/1093674437.db2.gz OWKDHGIPAZHCOD-UHFFFAOYSA-N -1 3 346.297 2.690 20 5 EFBDHM CN(Cc1ccccc1[N+](=O)[O-])c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001591147535 1093674441 /nfs/dbraw/zinc/67/44/41/1093674441.db2.gz OWKDHGIPAZHCOD-UHFFFAOYSA-N -1 3 346.297 2.690 20 5 EFBDHM COC1(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCCCCC1 ZINC001591343306 1093699936 /nfs/dbraw/zinc/69/99/36/1093699936.db2.gz RTHRLOKDQJYWHJ-UHFFFAOYSA-N -1 3 346.391 2.926 20 5 EFBDHM COC1(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCCCCC1 ZINC001591343306 1093699939 /nfs/dbraw/zinc/69/99/39/1093699939.db2.gz RTHRLOKDQJYWHJ-UHFFFAOYSA-N -1 3 346.391 2.926 20 5 EFBDHM COCC1(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCCCC1 ZINC001591390033 1093712184 /nfs/dbraw/zinc/71/21/84/1093712184.db2.gz YECJJTXVVCVTIQ-UHFFFAOYSA-N -1 3 346.391 2.784 20 5 EFBDHM COCC1(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCCCC1 ZINC001591390033 1093712191 /nfs/dbraw/zinc/71/21/91/1093712191.db2.gz YECJJTXVVCVTIQ-UHFFFAOYSA-N -1 3 346.391 2.784 20 5 EFBDHM COCc1cccc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC001591458018 1093727617 /nfs/dbraw/zinc/72/76/17/1093727617.db2.gz ACQAADOKROMCKD-UHFFFAOYSA-N -1 3 326.316 2.665 20 5 EFBDHM COCc1cccc(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC001591458018 1093727618 /nfs/dbraw/zinc/72/76/18/1093727618.db2.gz ACQAADOKROMCKD-UHFFFAOYSA-N -1 3 326.316 2.665 20 5 EFBDHM COc1cc(C)cc(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])c1 ZINC001591519853 1093747908 /nfs/dbraw/zinc/74/79/08/1093747908.db2.gz ADNINUANGNPOCO-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM COc1cc(C)cc(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])c1 ZINC001591519853 1093747914 /nfs/dbraw/zinc/74/79/14/1093747914.db2.gz ADNINUANGNPOCO-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM COc1cc(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])ccc1C ZINC001591538536 1093757330 /nfs/dbraw/zinc/75/73/30/1093757330.db2.gz OMXFECWJKDZTPN-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM COc1cc(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])ccc1C ZINC001591538536 1093757334 /nfs/dbraw/zinc/75/73/34/1093757334.db2.gz OMXFECWJKDZTPN-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM COc1cc(OCc2ccc([N+](=O)[O-])cc2F)ccc1-c1nnn[n-]1 ZINC001591552463 1093764665 /nfs/dbraw/zinc/76/46/65/1093764665.db2.gz AJQMRZUKXYPJCW-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1cc(OCc2ccc([N+](=O)[O-])cc2F)ccc1-c1nn[n-]n1 ZINC001591552463 1093764669 /nfs/dbraw/zinc/76/46/69/1093764669.db2.gz AJQMRZUKXYPJCW-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1ccc(F)cc1CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001591607049 1093794680 /nfs/dbraw/zinc/79/46/80/1093794680.db2.gz URCLMZGGOXLMLJ-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM COc1ccccc1[C@H](C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591654252 1093820980 /nfs/dbraw/zinc/82/09/80/1093820980.db2.gz HKMQRGSPUXOODA-JTQLQIEISA-N -1 3 340.343 2.957 20 5 EFBDHM COc1ccccc1[C@H](C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591654252 1093820986 /nfs/dbraw/zinc/82/09/86/1093820986.db2.gz HKMQRGSPUXOODA-JTQLQIEISA-N -1 3 340.343 2.957 20 5 EFBDHM Cc1c(OCc2cc(-c3nnn[n-]3)ccc2F)cccc1[N+](=O)[O-] ZINC001591830914 1093875411 /nfs/dbraw/zinc/87/54/11/1093875411.db2.gz NGOASUHYONKJSM-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1c(OCc2cc(-c3nn[n-]n3)ccc2F)cccc1[N+](=O)[O-] ZINC001591830914 1093875416 /nfs/dbraw/zinc/87/54/16/1093875416.db2.gz NGOASUHYONKJSM-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1cc(-c2nnn[n-]2)cc(N[C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC001591856925 1093894518 /nfs/dbraw/zinc/89/45/18/1093894518.db2.gz CQURUEOTKJKSJD-SNVBAGLBSA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1cc(-c2nn[n-]n2)cc(N[C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC001591856925 1093894521 /nfs/dbraw/zinc/89/45/21/1093894521.db2.gz CQURUEOTKJKSJD-SNVBAGLBSA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1cc(C)c([N+](=O)[O-])c(OCc2ccc(-c3nnn[n-]3)cc2C)n1 ZINC001591950605 1093929883 /nfs/dbraw/zinc/92/98/83/1093929883.db2.gz GRKWMVNDVFAJHK-UHFFFAOYSA-N -1 3 340.343 2.674 20 5 EFBDHM Cc1cc(C)c([N+](=O)[O-])c(OCc2ccc(-c3nn[n-]n3)cc2C)n1 ZINC001591950605 1093929886 /nfs/dbraw/zinc/92/98/86/1093929886.db2.gz GRKWMVNDVFAJHK-UHFFFAOYSA-N -1 3 340.343 2.674 20 5 EFBDHM Cc1cc(N(C)CCc2cccs2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591996836 1093951424 /nfs/dbraw/zinc/95/14/24/1093951424.db2.gz LBROAOPTWUOWFV-UHFFFAOYSA-N -1 3 344.400 2.824 20 5 EFBDHM Cc1cc(N(C)CCc2cccs2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591996836 1093951426 /nfs/dbraw/zinc/95/14/26/1093951426.db2.gz LBROAOPTWUOWFV-UHFFFAOYSA-N -1 3 344.400 2.824 20 5 EFBDHM Cc1cc(NCC[C@]2(C)CC2(F)F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592045258 1093966120 /nfs/dbraw/zinc/96/61/20/1093966120.db2.gz BQVXTDSDOHVMHA-CYBMUJFWSA-N -1 3 338.318 2.931 20 5 EFBDHM Cc1cc(NCC[C@]2(C)CC2(F)F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592045258 1093966126 /nfs/dbraw/zinc/96/61/26/1093966126.db2.gz BQVXTDSDOHVMHA-CYBMUJFWSA-N -1 3 338.318 2.931 20 5 EFBDHM Cc1cc(N[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592055121 1093968447 /nfs/dbraw/zinc/96/84/47/1093968447.db2.gz UNWMOUKSCFWOAM-IAOVAPTHSA-N -1 3 348.366 2.834 20 5 EFBDHM Cc1cc(N[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592055121 1093968449 /nfs/dbraw/zinc/96/84/49/1093968449.db2.gz UNWMOUKSCFWOAM-IAOVAPTHSA-N -1 3 348.366 2.834 20 5 EFBDHM Cc1cc(Oc2ccc([N+](=O)[O-])c(Cl)c2)c(-c2nnn[n-]2)cn1 ZINC001592062842 1093972767 /nfs/dbraw/zinc/97/27/67/1093972767.db2.gz RPNIVIAXPDIBCT-UHFFFAOYSA-N -1 3 332.707 2.924 20 5 EFBDHM Cc1cc(Oc2ccc([N+](=O)[O-])c(Cl)c2)c(-c2nn[n-]n2)cn1 ZINC001592062842 1093972770 /nfs/dbraw/zinc/97/27/70/1093972770.db2.gz RPNIVIAXPDIBCT-UHFFFAOYSA-N -1 3 332.707 2.924 20 5 EFBDHM Cc1ccc(CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C2CC2)o1 ZINC001592152797 1094003214 /nfs/dbraw/zinc/00/32/14/1094003214.db2.gz JHPHQXXJUAFSFH-UHFFFAOYSA-N -1 3 340.343 2.845 20 5 EFBDHM Cc1ccc(F)c(CN(C)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001592173885 1094015420 /nfs/dbraw/zinc/01/54/20/1094015420.db2.gz UJSBNMLTQGNJCS-UHFFFAOYSA-N -1 3 342.334 2.859 20 5 EFBDHM Cc1ccc(F)c(CN(C)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001592173885 1094015424 /nfs/dbraw/zinc/01/54/24/1094015424.db2.gz UJSBNMLTQGNJCS-UHFFFAOYSA-N -1 3 342.334 2.859 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(Oc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001592197370 1094025037 /nfs/dbraw/zinc/02/50/37/1094025037.db2.gz JLALTLONGOLSTB-UHFFFAOYSA-N -1 3 342.271 2.784 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(Oc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001592197370 1094025043 /nfs/dbraw/zinc/02/50/43/1094025043.db2.gz JLALTLONGOLSTB-UHFFFAOYSA-N -1 3 342.271 2.784 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(OCCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001592197284 1094025170 /nfs/dbraw/zinc/02/51/70/1094025170.db2.gz GQLLYBRPOHUHAQ-UHFFFAOYSA-N -1 3 325.328 2.705 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(OCCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001592197284 1094025177 /nfs/dbraw/zinc/02/51/77/1094025177.db2.gz GQLLYBRPOHUHAQ-UHFFFAOYSA-N -1 3 325.328 2.705 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1OCCOc1cccc(-c2nnn[n-]2)c1 ZINC001592197270 1094025295 /nfs/dbraw/zinc/02/52/95/1094025295.db2.gz GBFXXIHOMGUPCF-UHFFFAOYSA-N -1 3 341.327 2.541 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1OCCOc1cccc(-c2nn[n-]n2)c1 ZINC001592197270 1094025301 /nfs/dbraw/zinc/02/53/01/1094025301.db2.gz GBFXXIHOMGUPCF-UHFFFAOYSA-N -1 3 341.327 2.541 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(OCc2ccc(-c3nnn[n-]3)cc2C)c1 ZINC001592197206 1094025311 /nfs/dbraw/zinc/02/53/11/1094025311.db2.gz AVQDIQMYEQXDMU-UHFFFAOYSA-N -1 3 325.328 2.971 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(OCc2ccc(-c3nn[n-]n3)cc2C)c1 ZINC001592197206 1094025318 /nfs/dbraw/zinc/02/53/18/1094025318.db2.gz AVQDIQMYEQXDMU-UHFFFAOYSA-N -1 3 325.328 2.971 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(-c2nnn[n-]2)c1C ZINC001592198100 1094025373 /nfs/dbraw/zinc/02/53/73/1094025373.db2.gz XFIRORKOPZORTD-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(-c2nn[n-]n2)c1C ZINC001592198100 1094025378 /nfs/dbraw/zinc/02/53/78/1094025378.db2.gz XFIRORKOPZORTD-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM Cc1ccc2c(c1)[C@@H](Nc1ccc(-c3nnn[n-]3)c([N+](=O)[O-])c1)CO2 ZINC001592200705 1094027643 /nfs/dbraw/zinc/02/76/43/1094027643.db2.gz KBMRXSVIEIBXDE-ZDUSSCGKSA-N -1 3 338.327 2.629 20 5 EFBDHM Cc1cccc(CCCNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)n1 ZINC001592228992 1094038969 /nfs/dbraw/zinc/03/89/69/1094038969.db2.gz QTKMHELGQNNUAI-UHFFFAOYSA-N -1 3 339.359 2.523 20 5 EFBDHM Cc1cccc(CCCNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)n1 ZINC001592228992 1094038976 /nfs/dbraw/zinc/03/89/76/1094038976.db2.gz QTKMHELGQNNUAI-UHFFFAOYSA-N -1 3 339.359 2.523 20 5 EFBDHM Cc1cccc(OCc2ccc(-c3nnn[n-]3)cc2F)c1[N+](=O)[O-] ZINC001592238796 1094044536 /nfs/dbraw/zinc/04/45/36/1094044536.db2.gz JZLWNSODUJFCHB-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1cccc(OCc2ccc(-c3nn[n-]n3)cc2F)c1[N+](=O)[O-] ZINC001592238796 1094044541 /nfs/dbraw/zinc/04/45/41/1094044541.db2.gz JZLWNSODUJFCHB-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1ccccc1OCCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001592260438 1094057360 /nfs/dbraw/zinc/05/73/60/1094057360.db2.gz WDQAUWBDZPLYDN-UHFFFAOYSA-N -1 3 340.343 2.574 20 5 EFBDHM Cc1ccccc1OCCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001592260438 1094057364 /nfs/dbraw/zinc/05/73/64/1094057364.db2.gz WDQAUWBDZPLYDN-UHFFFAOYSA-N -1 3 340.343 2.574 20 5 EFBDHM Cc1noc(C)c1[C@@H](C)CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001592456096 1094107469 /nfs/dbraw/zinc/10/74/69/1094107469.db2.gz GKFAMQBRTQHXOV-QMMMGPOBSA-N -1 3 343.347 2.595 20 5 EFBDHM Cc1noc(C)c1[C@@H](C)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001592456042 1094107794 /nfs/dbraw/zinc/10/77/94/1094107794.db2.gz DNOKJUDUCVTNDP-SSDOTTSWSA-N -1 3 329.320 2.553 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(NC[C@@H]2CCC=CCCC2)c1-c1nnn[n-]1 ZINC001592758319 1094184162 /nfs/dbraw/zinc/18/41/62/1094184162.db2.gz UAVCNGDZWNRLQT-LLVKDONJSA-N -1 3 343.391 2.906 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(NC[C@@H]2CCC=CCCC2)c1-c1nn[n-]n1 ZINC001592758319 1094184167 /nfs/dbraw/zinc/18/41/67/1094184167.db2.gz UAVCNGDZWNRLQT-LLVKDONJSA-N -1 3 343.391 2.906 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(NC[C@H]2C[C@H]2C2CCCC2)c1-c1nnn[n-]1 ZINC001592758072 1094184875 /nfs/dbraw/zinc/18/48/75/1094184875.db2.gz RSHDZEROVPMERE-MNOVXSKESA-N -1 3 343.391 2.595 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(NC[C@H]2C[C@H]2C2CCCC2)c1-c1nn[n-]n1 ZINC001592758072 1094184877 /nfs/dbraw/zinc/18/48/77/1094184877.db2.gz RSHDZEROVPMERE-MNOVXSKESA-N -1 3 343.391 2.595 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(SC[C@@H]2CC[C@H]3C[C@H]3C2)c1-c1nnn[n-]1 ZINC001592759305 1094186070 /nfs/dbraw/zinc/18/60/70/1094186070.db2.gz UJJVYACJZDJWCS-KXUCPTDWSA-N -1 3 346.416 2.885 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(SC[C@@H]2CC[C@H]3C[C@H]3C2)c1-c1nn[n-]n1 ZINC001592759305 1094186072 /nfs/dbraw/zinc/18/60/72/1094186072.db2.gz UJJVYACJZDJWCS-KXUCPTDWSA-N -1 3 346.416 2.885 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC(c2ccccc2F)C1 ZINC001593467555 1094312307 /nfs/dbraw/zinc/31/23/07/1094312307.db2.gz BSCRRPUNMGRWCL-UHFFFAOYSA-N -1 3 340.318 2.518 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC(c2ccccc2F)C1 ZINC001593467555 1094312318 /nfs/dbraw/zinc/31/23/18/1094312318.db2.gz BSCRRPUNMGRWCL-UHFFFAOYSA-N -1 3 340.318 2.518 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NC[C@]12C[C@H]1CCCC2 ZINC001593469347 1094312827 /nfs/dbraw/zinc/31/28/27/1094312827.db2.gz ZEMUAHHKHZNFOC-PSLIRLAXSA-N -1 3 332.339 2.906 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NC[C@]12C[C@H]1CCCC2 ZINC001593469347 1094312835 /nfs/dbraw/zinc/31/28/35/1094312835.db2.gz ZEMUAHHKHZNFOC-PSLIRLAXSA-N -1 3 332.339 2.906 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1CCc2ccccc21 ZINC001593469323 1094312981 /nfs/dbraw/zinc/31/29/81/1094312981.db2.gz YIGNHCHZSYCBHA-UHFFFAOYSA-N -1 3 326.291 2.608 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1CCc2ccccc21 ZINC001593469323 1094312992 /nfs/dbraw/zinc/31/29/92/1094312992.db2.gz YIGNHCHZSYCBHA-UHFFFAOYSA-N -1 3 326.291 2.608 20 5 EFBDHM O=[N+]([O-])c1cc(N2CCS[C@H]3CCCC[C@H]32)ccc1-c1nnn[n-]1 ZINC001593470601 1094314435 /nfs/dbraw/zinc/31/44/35/1094314435.db2.gz GDYBVRLGHRNVOW-OCCSQVGLSA-N -1 3 346.416 2.639 20 5 EFBDHM O=[N+]([O-])c1cc(N2CC3(CC3)c3ccccc32)ccc1-c1nnn[n-]1 ZINC001593471181 1094315095 /nfs/dbraw/zinc/31/50/95/1094315095.db2.gz KKMSZVSPYBGVHW-UHFFFAOYSA-N -1 3 334.339 2.958 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N[C@H](C1CCC1)C1CCCC1 ZINC001593470638 1094315459 /nfs/dbraw/zinc/31/54/59/1094315459.db2.gz JOYRFKRDBPCMEC-AWEZNQCLSA-N -1 3 343.391 2.941 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N[C@H](C1CCC1)C1CCCC1 ZINC001593470638 1094315468 /nfs/dbraw/zinc/31/54/68/1094315468.db2.gz JOYRFKRDBPCMEC-AWEZNQCLSA-N -1 3 343.391 2.941 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H]1CCCC12CCOCC2 ZINC001593470792 1094315628 /nfs/dbraw/zinc/31/56/28/1094315628.db2.gz LQOWLELLEWTRRH-AWEZNQCLSA-N -1 3 344.375 2.536 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H]1CCCC12CCOCC2 ZINC001593470792 1094315635 /nfs/dbraw/zinc/31/56/35/1094315635.db2.gz LQOWLELLEWTRRH-AWEZNQCLSA-N -1 3 344.375 2.536 20 5 EFBDHM O=[N+]([O-])c1cc(F)c(NCCc2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC001593470781 1094315685 /nfs/dbraw/zinc/31/56/85/1094315685.db2.gz IYCLTMDTPNTZHE-UHFFFAOYSA-N -1 3 346.297 2.708 20 5 EFBDHM O=[N+]([O-])c1cc(F)c(NCCc2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC001593470781 1094315693 /nfs/dbraw/zinc/31/56/93/1094315693.db2.gz IYCLTMDTPNTZHE-UHFFFAOYSA-N -1 3 346.297 2.708 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NC1CC(c2ccccc2)C1 ZINC001593471526 1094316098 /nfs/dbraw/zinc/31/60/98/1094316098.db2.gz SOKUWPGACBELLZ-UHFFFAOYSA-N -1 3 337.343 2.528 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NC1CC(c2ccccc2)C1 ZINC001593471526 1094316109 /nfs/dbraw/zinc/31/61/09/1094316109.db2.gz SOKUWPGACBELLZ-UHFFFAOYSA-N -1 3 337.343 2.528 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NC[C@H]1CCC2(CCCC2)O1 ZINC001593474799 1094317089 /nfs/dbraw/zinc/31/70/89/1094317089.db2.gz KYULMMZYLWCHEI-GFCCVEGCSA-N -1 3 344.375 2.679 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NC[C@H]1CCC2(CCCC2)O1 ZINC001593474799 1094317100 /nfs/dbraw/zinc/31/71/00/1094317100.db2.gz KYULMMZYLWCHEI-GFCCVEGCSA-N -1 3 344.375 2.679 20 5 EFBDHM O=[N+]([O-])c1cc2ccccc2nc1NCc1cccc(-c2nnn[n-]2)c1 ZINC001593474212 1094317995 /nfs/dbraw/zinc/31/79/95/1094317995.db2.gz LISZYXGTZODYAQ-UHFFFAOYSA-N -1 3 347.338 2.935 20 5 EFBDHM O=[N+]([O-])c1cc2ccccc2nc1NCc1cccc(-c2nn[n-]n2)c1 ZINC001593474212 1094318003 /nfs/dbraw/zinc/31/80/03/1094318003.db2.gz LISZYXGTZODYAQ-UHFFFAOYSA-N -1 3 347.338 2.935 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCCOC1CCCCC1 ZINC001593474327 1094318542 /nfs/dbraw/zinc/31/85/42/1094318542.db2.gz CMPPXAMIMQCBRH-UHFFFAOYSA-N -1 3 332.364 2.536 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCCOC1CCCCC1 ZINC001593474327 1094318549 /nfs/dbraw/zinc/31/85/49/1094318549.db2.gz CMPPXAMIMQCBRH-UHFFFAOYSA-N -1 3 332.364 2.536 20 5 EFBDHM O=[N+]([O-])c1cc(NCCCNc2ccccc2)ccc1-c1nnn[n-]1 ZINC001593473544 1094318852 /nfs/dbraw/zinc/31/88/52/1094318852.db2.gz HHCXDJJYVHBLRB-UHFFFAOYSA-N -1 3 339.359 2.689 20 5 EFBDHM O=[N+]([O-])c1ccc(CCCCNc2cc(-c3nnn[n-]3)ccn2)cc1 ZINC001593475460 1094319666 /nfs/dbraw/zinc/31/96/66/1094319666.db2.gz LCWIADUALXIJQX-UHFFFAOYSA-N -1 3 339.359 2.605 20 5 EFBDHM O=[N+]([O-])c1ccc(CCCCNc2cc(-c3nn[n-]n3)ccn2)cc1 ZINC001593475460 1094319668 /nfs/dbraw/zinc/31/96/68/1094319668.db2.gz LCWIADUALXIJQX-UHFFFAOYSA-N -1 3 339.359 2.605 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCCc1cc(F)cc(F)c1 ZINC001593475234 1094319706 /nfs/dbraw/zinc/31/97/06/1094319706.db2.gz MZBISXTUCOFVIP-UHFFFAOYSA-N -1 3 346.297 2.708 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCCc1cc(F)cc(F)c1 ZINC001593475234 1094319713 /nfs/dbraw/zinc/31/97/13/1094319713.db2.gz MZBISXTUCOFVIP-UHFFFAOYSA-N -1 3 346.297 2.708 20 5 EFBDHM O=[N+]([O-])c1ccc(C=Cc2ccncc2-c2nnn[n-]2)cc1Cl ZINC001593476264 1094319775 /nfs/dbraw/zinc/31/97/75/1094319775.db2.gz WCWNPTQVOFAAER-IWQZZHSRSA-N -1 3 328.719 2.994 20 5 EFBDHM O=[N+]([O-])c1ccc(C=Cc2ccncc2-c2nn[n-]n2)cc1Cl ZINC001593476264 1094319780 /nfs/dbraw/zinc/31/97/80/1094319780.db2.gz WCWNPTQVOFAAER-IWQZZHSRSA-N -1 3 328.719 2.994 20 5 EFBDHM O=[N+]([O-])c1ccc(CSc2ccncc2-c2nnn[n-]2)c(F)c1 ZINC001593474912 1094320584 /nfs/dbraw/zinc/32/05/84/1094320584.db2.gz COWXPPAFCHVAQV-UHFFFAOYSA-N -1 3 332.320 2.601 20 5 EFBDHM O=[N+]([O-])c1ccc(CSc2ccncc2-c2nn[n-]n2)c(F)c1 ZINC001593474912 1094320597 /nfs/dbraw/zinc/32/05/97/1094320597.db2.gz COWXPPAFCHVAQV-UHFFFAOYSA-N -1 3 332.320 2.601 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCC1(CCO)CCCCC1 ZINC001593475005 1094320969 /nfs/dbraw/zinc/32/09/69/1094320969.db2.gz NRCWIYIGQPQNRB-UHFFFAOYSA-N -1 3 346.391 2.520 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCC1(CCO)CCCCC1 ZINC001593475005 1094320983 /nfs/dbraw/zinc/32/09/83/1094320983.db2.gz NRCWIYIGQPQNRB-UHFFFAOYSA-N -1 3 346.391 2.520 20 5 EFBDHM O=[N+]([O-])c1cc(N[C@H]2CCOC23CCCCC3)ccc1-c1nnn[n-]1 ZINC001593475250 1094321367 /nfs/dbraw/zinc/32/13/67/1094321367.db2.gz ZFHSGYOWJIZZEK-AWEZNQCLSA-N -1 3 344.375 2.679 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CC[C@@H](C3CCCC3)C2)c(-c2nnn[n-]2)c1 ZINC001593475875 1094321450 /nfs/dbraw/zinc/32/14/50/1094321450.db2.gz FRZQQNMBCYYOPJ-GFCCVEGCSA-N -1 3 328.376 2.791 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CC[C@@H](C3CCCC3)C2)c(-c2nn[n-]n2)c1 ZINC001593475875 1094321454 /nfs/dbraw/zinc/32/14/54/1094321454.db2.gz FRZQQNMBCYYOPJ-GFCCVEGCSA-N -1 3 328.376 2.791 20 5 EFBDHM O=[N+]([O-])c1ccc2c(c1)CN(c1cc(Cl)ccc1-c1nnn[n-]1)C2 ZINC001593479631 1094322319 /nfs/dbraw/zinc/32/23/19/1094322319.db2.gz OEDVPUQVMZTBHV-UHFFFAOYSA-N -1 3 342.746 2.949 20 5 EFBDHM O=[N+]([O-])c1ccc2c(c1)CN(c1cc(Cl)ccc1-c1nn[n-]n1)C2 ZINC001593479631 1094322332 /nfs/dbraw/zinc/32/23/32/1094322332.db2.gz OEDVPUQVMZTBHV-UHFFFAOYSA-N -1 3 342.746 2.949 20 5 EFBDHM O=[N+]([O-])c1ccc(NCCc2cc(F)cc(F)c2)c(-c2nnn[n-]2)c1 ZINC001593478421 1094322620 /nfs/dbraw/zinc/32/26/20/1094322620.db2.gz GBQHCAXMHRFEBN-UHFFFAOYSA-N -1 3 346.297 2.708 20 5 EFBDHM O=[N+]([O-])c1ccc(NCCc2cc(F)cc(F)c2)c(-c2nn[n-]n2)c1 ZINC001593478421 1094322631 /nfs/dbraw/zinc/32/26/31/1094322631.db2.gz GBQHCAXMHRFEBN-UHFFFAOYSA-N -1 3 346.297 2.708 20 5 EFBDHM O=[N+]([O-])c1ccc2[nH]c(Sc3ccc(-c4nn[n-]n4)cc3)nc2c1 ZINC001593479785 1094322703 /nfs/dbraw/zinc/32/27/03/1094322703.db2.gz XBRMYLNJTOSCKT-UHFFFAOYSA-N -1 3 339.340 2.802 20 5 EFBDHM O=[N+]([O-])c1ccc(NCCc2c(F)cccc2F)c(-c2nnn[n-]2)c1 ZINC001593478314 1094324299 /nfs/dbraw/zinc/32/42/99/1094324299.db2.gz BKZQPKLAOVVXIT-UHFFFAOYSA-N -1 3 346.297 2.708 20 5 EFBDHM O=[N+]([O-])c1ccc(NCCc2c(F)cccc2F)c(-c2nn[n-]n2)c1 ZINC001593478314 1094324306 /nfs/dbraw/zinc/32/43/06/1094324306.db2.gz BKZQPKLAOVVXIT-UHFFFAOYSA-N -1 3 346.297 2.708 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CCc2ccc(F)cc21 ZINC001593482362 1094326603 /nfs/dbraw/zinc/32/66/03/1094326603.db2.gz YYDSIRCJXZUNRY-UHFFFAOYSA-N -1 3 326.291 2.608 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CCc2ccc(F)cc21 ZINC001593482362 1094326611 /nfs/dbraw/zinc/32/66/11/1094326611.db2.gz YYDSIRCJXZUNRY-UHFFFAOYSA-N -1 3 326.291 2.608 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCC[C@@H]1CC1(Cl)Cl ZINC001593480970 1094327061 /nfs/dbraw/zinc/32/70/61/1094327061.db2.gz NXUOIFNZBSCAJT-SSDOTTSWSA-N -1 3 343.174 2.771 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCC[C@@H]1CC1(Cl)Cl ZINC001593480970 1094327067 /nfs/dbraw/zinc/32/70/67/1094327067.db2.gz NXUOIFNZBSCAJT-SSDOTTSWSA-N -1 3 343.174 2.771 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N[C@@H](c1cccnc1)C1CC1 ZINC001593481974 1094327086 /nfs/dbraw/zinc/32/70/86/1094327086.db2.gz TYPMMSRNPOHDTI-CQSZACIVSA-N -1 3 337.343 2.733 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N[C@@H](c1cccnc1)C1CC1 ZINC001593481974 1094327097 /nfs/dbraw/zinc/32/70/97/1094327097.db2.gz TYPMMSRNPOHDTI-CQSZACIVSA-N -1 3 337.343 2.733 20 5 EFBDHM O=[N+]([O-])c1cnc(Oc2ccc(-c3nnn[n-]3)cc2Cl)c(F)c1 ZINC001593487442 1094329513 /nfs/dbraw/zinc/32/95/13/1094329513.db2.gz NWINJGRCIPIAHM-UHFFFAOYSA-N -1 3 336.670 2.755 20 5 EFBDHM O=[N+]([O-])c1cnc(Oc2ccc(-c3nn[n-]n3)cc2Cl)c(F)c1 ZINC001593487442 1094329521 /nfs/dbraw/zinc/32/95/21/1094329521.db2.gz NWINJGRCIPIAHM-UHFFFAOYSA-N -1 3 336.670 2.755 20 5 EFBDHM O=[N+]([O-])c1cnc(N2CCC[C@@H](C3CCCC3)C2)c(-c2nnn[n-]2)c1 ZINC001593485398 1094330093 /nfs/dbraw/zinc/33/00/93/1094330093.db2.gz AZJJCHFOWVVMFL-GFCCVEGCSA-N -1 3 343.391 2.577 20 5 EFBDHM O=[N+]([O-])c1cnc(N2CCC[C@@H](C3CCCC3)C2)c(-c2nn[n-]n2)c1 ZINC001593485398 1094330115 /nfs/dbraw/zinc/33/01/15/1094330115.db2.gz AZJJCHFOWVVMFL-GFCCVEGCSA-N -1 3 343.391 2.577 20 5 EFBDHM O=[N+]([O-])c1cccc(SCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001593485129 1094330710 /nfs/dbraw/zinc/33/07/10/1094330710.db2.gz IVMLTLKLSOWEIU-UHFFFAOYSA-N -1 3 343.368 2.946 20 5 EFBDHM Cc1c(CN[C@@H](C(=O)[O-])c2ccc3c(c2)CCO3)cccc1[N+](=O)[O-] ZINC001600012078 1094720711 /nfs/dbraw/zinc/72/07/11/1094720711.db2.gz SYGSLRJBXPGLOT-QGZVFWFLSA-N -1 3 342.351 2.754 20 5 EFBDHM O=C([O-])C[C@H](NCc1c(Br)cccc1[N+](=O)[O-])C1CC1 ZINC001601906892 1095970105 /nfs/dbraw/zinc/97/01/05/1095970105.db2.gz OFDJUHADELFMNT-NSHDSACASA-N -1 3 343.177 2.700 20 5 EFBDHM O=C([O-])C[C@@H](NCc1cccc([N+](=O)[O-])c1Br)C1CC1 ZINC001601905798 1095970288 /nfs/dbraw/zinc/97/02/88/1095970288.db2.gz FVPNAASJCIIETQ-SNVBAGLBSA-N -1 3 343.177 2.700 20 5 EFBDHM O=C([O-])COc1ccc(CN2CCC[C@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC001602082382 1096052093 /nfs/dbraw/zinc/05/20/93/1096052093.db2.gz QZAXABXAMGWDRD-ZIAGYGMSSA-N -1 3 334.372 2.823 20 5 EFBDHM O=C([O-])COc1ccc(CN[C@@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC001602085006 1096053647 /nfs/dbraw/zinc/05/36/47/1096053647.db2.gz QEXPYOZFFJVHOX-OAHLLOKOSA-N -1 3 342.351 2.835 20 5 EFBDHM CC(C)(CCNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1)C1CC1 ZINC001603139632 1096456950 /nfs/dbraw/zinc/45/69/50/1096456950.db2.gz UUGPYRSKBVSAJH-UHFFFAOYSA-N -1 3 331.380 2.595 20 5 EFBDHM CC(C)(CCNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1)C1CC1 ZINC001603139632 1096456953 /nfs/dbraw/zinc/45/69/53/1096456953.db2.gz UUGPYRSKBVSAJH-UHFFFAOYSA-N -1 3 331.380 2.595 20 5 EFBDHM CC(C)(C(=O)[O-])N1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC001603266308 1096489616 /nfs/dbraw/zinc/48/96/16/1096489616.db2.gz JBVNOFATJQKCCG-UHFFFAOYSA-N -1 3 343.330 2.518 20 5 EFBDHM C[C@H](CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])CC(F)(F)F ZINC001603553262 1096551305 /nfs/dbraw/zinc/55/13/05/1096551305.db2.gz PGAIBXDKAYGYTH-ZETCQYMHSA-N -1 3 330.270 2.775 20 5 EFBDHM C[C@H](CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])CC(F)(F)F ZINC001603553262 1096551311 /nfs/dbraw/zinc/55/13/11/1096551311.db2.gz PGAIBXDKAYGYTH-ZETCQYMHSA-N -1 3 330.270 2.775 20 5 EFBDHM C[C@](O)(CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CCCCC1 ZINC001603691224 1096591788 /nfs/dbraw/zinc/59/17/88/1096591788.db2.gz WZIVZCHVNFLFPS-INIZCTEOSA-N -1 3 346.391 2.518 20 5 EFBDHM C[C@](O)(CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CCCCC1 ZINC001603691224 1096591795 /nfs/dbraw/zinc/59/17/95/1096591795.db2.gz WZIVZCHVNFLFPS-INIZCTEOSA-N -1 3 346.391 2.518 20 5 EFBDHM C[C@H](OC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC001603703268 1096595142 /nfs/dbraw/zinc/59/51/42/1096595142.db2.gz RUROFTYAQJBEPM-JTQLQIEISA-N -1 3 339.311 2.693 20 5 EFBDHM C[C@H](OC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC001603703268 1096595148 /nfs/dbraw/zinc/59/51/48/1096595148.db2.gz RUROFTYAQJBEPM-JTQLQIEISA-N -1 3 339.311 2.693 20 5 EFBDHM CC1(C)C[C@H](SCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CO1 ZINC001603765471 1096617861 /nfs/dbraw/zinc/61/78/61/1096617861.db2.gz RSIMVSUVROHTLM-VIFPVBQESA-N -1 3 335.389 2.576 20 5 EFBDHM CC1(C)C[C@H](SCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CO1 ZINC001603765471 1096617866 /nfs/dbraw/zinc/61/78/66/1096617866.db2.gz RSIMVSUVROHTLM-VIFPVBQESA-N -1 3 335.389 2.576 20 5 EFBDHM C[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C[C@@H]1C ZINC001603882235 1096655109 /nfs/dbraw/zinc/65/51/09/1096655109.db2.gz QRJMBZLZBSSBKV-KXUCPTDWSA-N -1 3 331.380 2.594 20 5 EFBDHM C[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C[C@@H]1C ZINC001603882235 1096655115 /nfs/dbraw/zinc/65/51/15/1096655115.db2.gz QRJMBZLZBSSBKV-KXUCPTDWSA-N -1 3 331.380 2.594 20 5 EFBDHM C[C@@H]1CCC[C@H](C(=O)OCc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001603884605 1096657485 /nfs/dbraw/zinc/65/74/85/1096657485.db2.gz QLOLOTDRMJWNII-PWSUYJOCSA-N -1 3 345.359 2.644 20 5 EFBDHM C[C@@H]1CCC[C@H](C(=O)OCc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001603884605 1096657490 /nfs/dbraw/zinc/65/74/90/1096657490.db2.gz QLOLOTDRMJWNII-PWSUYJOCSA-N -1 3 345.359 2.644 20 5 EFBDHM C[C@H]1CCCC[C@@H]1C(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603890673 1096660852 /nfs/dbraw/zinc/66/08/52/1096660852.db2.gz DGRIIZVXYPKJDK-GWCFXTLKSA-N -1 3 345.359 2.644 20 5 EFBDHM C[C@H]1CCCC[C@@H]1C(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603890673 1096660855 /nfs/dbraw/zinc/66/08/55/1096660855.db2.gz DGRIIZVXYPKJDK-GWCFXTLKSA-N -1 3 345.359 2.644 20 5 EFBDHM C[C@@H]1CCCC[C@H]1OCCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001603891362 1096661950 /nfs/dbraw/zinc/66/19/50/1096661950.db2.gz RJVOEETUOWBWFZ-IAQYHMDHSA-N -1 3 346.391 2.782 20 5 EFBDHM C[C@@H]1CCCC[C@H]1OCCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001603891362 1096661951 /nfs/dbraw/zinc/66/19/51/1096661951.db2.gz RJVOEETUOWBWFZ-IAQYHMDHSA-N -1 3 346.391 2.782 20 5 EFBDHM C[C@@H]1CCN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC12CCC2 ZINC001603912502 1096668581 /nfs/dbraw/zinc/66/85/81/1096668581.db2.gz RUXFMTNTZKNQHB-LLVKDONJSA-N -1 3 328.376 2.791 20 5 EFBDHM C[C@@H]1CCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC12CCC2 ZINC001603912502 1096668588 /nfs/dbraw/zinc/66/85/88/1096668588.db2.gz RUXFMTNTZKNQHB-LLVKDONJSA-N -1 3 328.376 2.791 20 5 EFBDHM CCC(O)(CC)C(C)(C)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001604066311 1096718403 /nfs/dbraw/zinc/71/84/03/1096718403.db2.gz RXHYMMBIUDRHCL-UHFFFAOYSA-N -1 3 348.407 2.764 20 5 EFBDHM CCC(O)(CC)C(C)(C)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001604066311 1096718411 /nfs/dbraw/zinc/71/84/11/1096718411.db2.gz RXHYMMBIUDRHCL-UHFFFAOYSA-N -1 3 348.407 2.764 20 5 EFBDHM CCC1(CC)[C@@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C[C@@H]1OC ZINC001604085127 1096726159 /nfs/dbraw/zinc/72/61/59/1096726159.db2.gz FWBDESSPOVOMSV-KBPBESRZSA-N -1 3 346.391 2.781 20 5 EFBDHM CCC1(CC)[C@@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C[C@@H]1OC ZINC001604085127 1096726165 /nfs/dbraw/zinc/72/61/65/1096726165.db2.gz FWBDESSPOVOMSV-KBPBESRZSA-N -1 3 346.391 2.781 20 5 EFBDHM CCOc1cc(COc2ccccc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001604448663 1096860734 /nfs/dbraw/zinc/86/07/34/1096860734.db2.gz DHZHWTVESXBRPI-UHFFFAOYSA-N -1 3 341.327 2.753 20 5 EFBDHM CCOc1cc(COc2ccccc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001604448663 1096860737 /nfs/dbraw/zinc/86/07/37/1096860737.db2.gz DHZHWTVESXBRPI-UHFFFAOYSA-N -1 3 341.327 2.753 20 5 EFBDHM CCOc1ccc(Sc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC001604461818 1096867035 /nfs/dbraw/zinc/86/70/35/1096867035.db2.gz GFLZKBWPRTWEHD-UHFFFAOYSA-N -1 3 344.356 2.720 20 5 EFBDHM CCOc1ccc(Sc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC001604461818 1096867040 /nfs/dbraw/zinc/86/70/40/1096867040.db2.gz GFLZKBWPRTWEHD-UHFFFAOYSA-N -1 3 344.356 2.720 20 5 EFBDHM CCc1ccc(CCNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])cc1 ZINC001604522841 1096890967 /nfs/dbraw/zinc/89/09/67/1096890967.db2.gz DIDAUPKZQPEKLP-UHFFFAOYSA-N -1 3 338.371 2.992 20 5 EFBDHM CCc1ccc(CCNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])cc1 ZINC001604522841 1096890972 /nfs/dbraw/zinc/89/09/72/1096890972.db2.gz DIDAUPKZQPEKLP-UHFFFAOYSA-N -1 3 338.371 2.992 20 5 EFBDHM CCn1c(C)nc([N+](=O)[O-])c1Sc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001604595347 1096911967 /nfs/dbraw/zinc/91/19/67/1096911967.db2.gz OEMWUAKJXWOXSX-UHFFFAOYSA-N -1 3 345.388 2.759 20 5 EFBDHM CCn1c(C)nc([N+](=O)[O-])c1Sc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001604595347 1096911972 /nfs/dbraw/zinc/91/19/72/1096911972.db2.gz OEMWUAKJXWOXSX-UHFFFAOYSA-N -1 3 345.388 2.759 20 5 EFBDHM CN(C)c1cc(F)cc(Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c1 ZINC001604696689 1096933097 /nfs/dbraw/zinc/93/30/97/1096933097.db2.gz KRTSYUYFOOXOPL-UHFFFAOYSA-N -1 3 343.322 2.724 20 5 EFBDHM CN(C)c1cc(F)cc(Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c1 ZINC001604696689 1096933104 /nfs/dbraw/zinc/93/31/04/1096933104.db2.gz KRTSYUYFOOXOPL-UHFFFAOYSA-N -1 3 343.322 2.724 20 5 EFBDHM CN(CCc1cccs1)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001604792106 1096955750 /nfs/dbraw/zinc/95/57/50/1096955750.db2.gz JMLNCNFQMVQWGN-UHFFFAOYSA-N -1 3 330.373 2.515 20 5 EFBDHM CN(Cc1c(F)cccc1F)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001604794375 1096957170 /nfs/dbraw/zinc/95/71/70/1096957170.db2.gz BCZKHIFOCMHPPG-UHFFFAOYSA-N -1 3 346.297 2.690 20 5 EFBDHM CN(Cc1c(F)cccc1F)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001604794375 1096957174 /nfs/dbraw/zinc/95/71/74/1096957174.db2.gz BCZKHIFOCMHPPG-UHFFFAOYSA-N -1 3 346.297 2.690 20 5 EFBDHM CN(Cc1cc(F)cc(F)c1)c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001604801002 1096958183 /nfs/dbraw/zinc/95/81/83/1096958183.db2.gz SOTFXWXUMZGVCM-UHFFFAOYSA-N -1 3 346.297 2.690 20 5 EFBDHM CN(Cc1cc(F)cc(F)c1)c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001604801002 1096958187 /nfs/dbraw/zinc/95/81/87/1096958187.db2.gz SOTFXWXUMZGVCM-UHFFFAOYSA-N -1 3 346.297 2.690 20 5 EFBDHM CN(c1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1)C1CCC(C)(C)CC1 ZINC001604829114 1096967810 /nfs/dbraw/zinc/96/78/10/1096967810.db2.gz AQMZYFNEJKJTOW-UHFFFAOYSA-N -1 3 345.407 2.762 20 5 EFBDHM CN(c1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1)C1CCC(C)(C)CC1 ZINC001604829114 1096967814 /nfs/dbraw/zinc/96/78/14/1096967814.db2.gz AQMZYFNEJKJTOW-UHFFFAOYSA-N -1 3 345.407 2.762 20 5 EFBDHM COc1cc(COc2ccc(-c3nn[n-]n3)cc2C)ccc1[N+](=O)[O-] ZINC001605222219 1097057057 /nfs/dbraw/zinc/05/70/57/1097057057.db2.gz LJNIGONRWZVRQO-UHFFFAOYSA-N -1 3 341.327 2.671 20 5 EFBDHM COc1cc(Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])ccc1F ZINC001605230701 1097060909 /nfs/dbraw/zinc/06/09/09/1097060909.db2.gz AMJWNKPGJCIKGD-UHFFFAOYSA-N -1 3 330.279 2.666 20 5 EFBDHM COc1cc(Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])ccc1F ZINC001605230701 1097060915 /nfs/dbraw/zinc/06/09/15/1097060915.db2.gz AMJWNKPGJCIKGD-UHFFFAOYSA-N -1 3 330.279 2.666 20 5 EFBDHM COc1ccc(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)cc1F ZINC001605286311 1097082620 /nfs/dbraw/zinc/08/26/20/1097082620.db2.gz UPNAPXAFCKBVIN-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM COc1ccc(F)cc1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605290827 1097083604 /nfs/dbraw/zinc/08/36/04/1097083604.db2.gz OVLRRDLRYFUXTK-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM COc1ccc(F)cc1CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605290827 1097083609 /nfs/dbraw/zinc/08/36/09/1097083609.db2.gz OVLRRDLRYFUXTK-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM CCCN1CC[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)C1 ZINC001605323917 1097096069 /nfs/dbraw/zinc/09/60/69/1097096069.db2.gz MZAQJQHUGFKWPZ-VIFPVBQESA-N -1 3 327.768 2.843 20 5 EFBDHM COc1cccc(Sc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001605323826 1097097025 /nfs/dbraw/zinc/09/70/25/1097097025.db2.gz XCUVZGIPSDCTGU-UHFFFAOYSA-N -1 3 329.341 2.935 20 5 EFBDHM COc1cccc(Sc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001605323826 1097097030 /nfs/dbraw/zinc/09/70/30/1097097030.db2.gz XCUVZGIPSDCTGU-UHFFFAOYSA-N -1 3 329.341 2.935 20 5 EFBDHM CS[C@@H]1CCC[C@H](Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001605370015 1097107431 /nfs/dbraw/zinc/10/74/31/1097107431.db2.gz CTSNREVCKRLAKS-VHSXEESVSA-N -1 3 334.405 2.861 20 5 EFBDHM CS[C@@H]1CCC[C@H](Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001605370015 1097107434 /nfs/dbraw/zinc/10/74/34/1097107434.db2.gz CTSNREVCKRLAKS-VHSXEESVSA-N -1 3 334.405 2.861 20 5 EFBDHM Cc1cc(-c2nnn[n-]2)ccc1CSc1ccc([N+](=O)[O-])cn1 ZINC001605542085 1097155098 /nfs/dbraw/zinc/15/50/98/1097155098.db2.gz VDOSUDWXJYOIRM-UHFFFAOYSA-N -1 3 328.357 2.771 20 5 EFBDHM Cc1cc(-c2nn[n-]n2)ccc1CSc1ccc([N+](=O)[O-])cn1 ZINC001605542085 1097155101 /nfs/dbraw/zinc/15/51/01/1097155101.db2.gz VDOSUDWXJYOIRM-UHFFFAOYSA-N -1 3 328.357 2.771 20 5 EFBDHM Cc1cc(C)c(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c(C)c1 ZINC001605641967 1097176516 /nfs/dbraw/zinc/17/65/16/1097176516.db2.gz QVHHFTJKEWFOGR-UHFFFAOYSA-N -1 3 339.359 2.707 20 5 EFBDHM Cc1cc(C)c(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c(C)c1 ZINC001605641967 1097176519 /nfs/dbraw/zinc/17/65/19/1097176519.db2.gz QVHHFTJKEWFOGR-UHFFFAOYSA-N -1 3 339.359 2.707 20 5 EFBDHM Cc1cc(CN2Cc3ccc([N+](=O)[O-])cc3C2)ccc1-c1nnn[n-]1 ZINC001605656422 1097180743 /nfs/dbraw/zinc/18/07/43/1097180743.db2.gz IXTQJTNCIWBPCT-UHFFFAOYSA-N -1 3 336.355 2.599 20 5 EFBDHM Cc1cc(CN2Cc3ccc([N+](=O)[O-])cc3C2)ccc1-c1nn[n-]n1 ZINC001605656422 1097180748 /nfs/dbraw/zinc/18/07/48/1097180748.db2.gz IXTQJTNCIWBPCT-UHFFFAOYSA-N -1 3 336.355 2.599 20 5 EFBDHM Cc1cc(N[C@@H](C)Cc2ccncc2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605717408 1097207047 /nfs/dbraw/zinc/20/70/47/1097207047.db2.gz HWKWDYGNZPKCKJ-NSHDSACASA-N -1 3 339.359 2.521 20 5 EFBDHM Cc1cc(N[C@@H](C)Cc2ccncc2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605717408 1097207051 /nfs/dbraw/zinc/20/70/51/1097207051.db2.gz HWKWDYGNZPKCKJ-NSHDSACASA-N -1 3 339.359 2.521 20 5 EFBDHM Cc1cc(NCC[C@@H]2CCO[C@@H](C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605731259 1097208809 /nfs/dbraw/zinc/20/88/09/1097208809.db2.gz UJRBCVKTJCPNEU-NWDGAFQWSA-N -1 3 346.391 2.700 20 5 EFBDHM Cc1cc(NCC[C@@H]2CCO[C@@H](C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605731259 1097208813 /nfs/dbraw/zinc/20/88/13/1097208813.db2.gz UJRBCVKTJCPNEU-NWDGAFQWSA-N -1 3 346.391 2.700 20 5 EFBDHM Cc1cc(NC[C@@H]2CC2(Cl)Cl)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605731040 1097209186 /nfs/dbraw/zinc/20/91/86/1097209186.db2.gz NIWZJVFTFVUTLD-ZETCQYMHSA-N -1 3 343.174 2.689 20 5 EFBDHM Cc1cc(NC[C@@H]2CC2(Cl)Cl)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605731040 1097209191 /nfs/dbraw/zinc/20/91/91/1097209191.db2.gz NIWZJVFTFVUTLD-ZETCQYMHSA-N -1 3 343.174 2.689 20 5 EFBDHM Cc1ccc([C@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)s1 ZINC001605828663 1097241547 /nfs/dbraw/zinc/24/15/47/1097241547.db2.gz XHQXQONTDRWUTO-QMMMGPOBSA-N -1 3 331.361 2.713 20 5 EFBDHM Cc1ccc([C@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)s1 ZINC001605828663 1097241549 /nfs/dbraw/zinc/24/15/49/1097241549.db2.gz XHQXQONTDRWUTO-QMMMGPOBSA-N -1 3 331.361 2.713 20 5 EFBDHM Cc1ccc(OCCOc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC001605876199 1097262319 /nfs/dbraw/zinc/26/23/19/1097262319.db2.gz FFLZLOKPAWSXQI-UHFFFAOYSA-N -1 3 341.327 2.541 20 5 EFBDHM Cc1ccc(OCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c(Cl)n1 ZINC001605879178 1097264310 /nfs/dbraw/zinc/26/43/10/1097264310.db2.gz DUFYZPBZISLYPQ-UHFFFAOYSA-N -1 3 346.734 2.711 20 5 EFBDHM Cc1ccc(OCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c(Cl)n1 ZINC001605879178 1097264314 /nfs/dbraw/zinc/26/43/14/1097264314.db2.gz DUFYZPBZISLYPQ-UHFFFAOYSA-N -1 3 346.734 2.711 20 5 EFBDHM Cc1ccc2c(c1)CCN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C2 ZINC001605889031 1097267856 /nfs/dbraw/zinc/26/78/56/1097267856.db2.gz ZQYCJVHHXNOBLV-UHFFFAOYSA-N -1 3 336.355 2.646 20 5 EFBDHM Cc1ccc2c(c1)CCN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C2 ZINC001605889031 1097267862 /nfs/dbraw/zinc/26/78/62/1097267862.db2.gz ZQYCJVHHXNOBLV-UHFFFAOYSA-N -1 3 336.355 2.646 20 5 EFBDHM Cc1cccc2c1CC[C@@H]2Nc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605930767 1097278745 /nfs/dbraw/zinc/27/87/45/1097278745.db2.gz QIPROQHFCFWJDD-ZDUSSCGKSA-N -1 3 337.343 2.578 20 5 EFBDHM Cc1cccc2c1CC[C@@H]2Nc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605930767 1097278750 /nfs/dbraw/zinc/27/87/50/1097278750.db2.gz QIPROQHFCFWJDD-ZDUSSCGKSA-N -1 3 337.343 2.578 20 5 EFBDHM Cc1cccc2cc(Oc3ncc(-c4nnn[n-]4)cc3[N+](=O)[O-])cnc12 ZINC001605930131 1097279114 /nfs/dbraw/zinc/27/91/14/1097279114.db2.gz UTZCLVRWXARHKH-UHFFFAOYSA-N -1 3 349.310 2.819 20 5 EFBDHM Cc1cccc2cc(Oc3ncc(-c4nn[n-]n4)cc3[N+](=O)[O-])cnc12 ZINC001605930131 1097279119 /nfs/dbraw/zinc/27/91/19/1097279119.db2.gz UTZCLVRWXARHKH-UHFFFAOYSA-N -1 3 349.310 2.819 20 5 EFBDHM Cc1ccccc1CCNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605940195 1097283151 /nfs/dbraw/zinc/28/31/51/1097283151.db2.gz SOIMSWPOVJBYLV-UHFFFAOYSA-N -1 3 342.334 2.877 20 5 EFBDHM Cc1ccccc1CCNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605940195 1097283155 /nfs/dbraw/zinc/28/31/55/1097283155.db2.gz SOIMSWPOVJBYLV-UHFFFAOYSA-N -1 3 342.334 2.877 20 5 EFBDHM Cc1nc(C)c(-c2nnn[n-]2)c(SCc2csc([N+](=O)[O-])c2)n1 ZINC001606035869 1097304618 /nfs/dbraw/zinc/30/46/18/1097304618.db2.gz WANBXFPEFPSHBK-UHFFFAOYSA-N -1 3 349.401 2.536 20 5 EFBDHM Cc1nc(C)c(-c2nn[n-]n2)c(SCc2csc([N+](=O)[O-])c2)n1 ZINC001606035869 1097304626 /nfs/dbraw/zinc/30/46/26/1097304626.db2.gz WANBXFPEFPSHBK-UHFFFAOYSA-N -1 3 349.401 2.536 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1CCC[C@@H](C2CCC2)C1 ZINC001607077666 1097505347 /nfs/dbraw/zinc/50/53/47/1097505347.db2.gz CJKFOSXLMPMZGV-LLVKDONJSA-N -1 3 346.366 2.931 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1CCC[C@@H](C2CCC2)C1 ZINC001607077666 1097505353 /nfs/dbraw/zinc/50/53/53/1097505353.db2.gz CJKFOSXLMPMZGV-LLVKDONJSA-N -1 3 346.366 2.931 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N[C@H]1C[C@@H]1c1ccccc1 ZINC001607077191 1097505819 /nfs/dbraw/zinc/50/58/19/1097505819.db2.gz IEVDLVUAEWEHTF-MFKMUULPSA-N -1 3 340.318 2.882 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N[C@H]1C[C@@H]1c1ccccc1 ZINC001607077191 1097505825 /nfs/dbraw/zinc/50/58/25/1097505825.db2.gz IEVDLVUAEWEHTF-MFKMUULPSA-N -1 3 340.318 2.882 20 5 EFBDHM O=[N+]([O-])c1cc(N2CC[C@@H]3CCCC[C@H]3C2)ccc1-c1nnn[n-]1 ZINC001607078772 1097507020 /nfs/dbraw/zinc/50/70/20/1097507020.db2.gz LIWWRQZZNNLXEJ-RYUDHWBXSA-N -1 3 328.376 2.791 20 5 EFBDHM O=[N+]([O-])c1cc(NCc2ccc3ncccc3c2)ccc1-c1nnn[n-]1 ZINC001607078854 1097507105 /nfs/dbraw/zinc/50/71/05/1097507105.db2.gz ALRHUKATAGMMFO-UHFFFAOYSA-N -1 3 347.338 2.935 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@H]1C1CCCC1 ZINC001607079605 1097507117 /nfs/dbraw/zinc/50/71/17/1097507117.db2.gz MVRUSVFOBBFHIZ-ZDUSSCGKSA-N -1 3 328.376 2.934 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@H]1C1CCCC1 ZINC001607079605 1097507120 /nfs/dbraw/zinc/50/71/20/1097507120.db2.gz MVRUSVFOBBFHIZ-ZDUSSCGKSA-N -1 3 328.376 2.934 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1Oc1ccc(Cl)c(F)c1 ZINC001607079152 1097507216 /nfs/dbraw/zinc/50/72/16/1097507216.db2.gz WDVPTKYRNJIXJQ-UHFFFAOYSA-N -1 3 336.670 2.755 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1Oc1ccc(Cl)c(F)c1 ZINC001607079152 1097507223 /nfs/dbraw/zinc/50/72/23/1097507223.db2.gz WDVPTKYRNJIXJQ-UHFFFAOYSA-N -1 3 336.670 2.755 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@@H]2C[C@H]2c2ccccc2F)c(-c2nnn[n-]2)c1 ZINC001607082616 1097507936 /nfs/dbraw/zinc/50/79/36/1097507936.db2.gz SZKGVBFTMGFBBE-XHDPSFHLSA-N -1 3 340.318 2.882 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@@H]2C[C@H]2c2ccccc2F)c(-c2nn[n-]n2)c1 ZINC001607082616 1097507942 /nfs/dbraw/zinc/50/79/42/1097507942.db2.gz SZKGVBFTMGFBBE-XHDPSFHLSA-N -1 3 340.318 2.882 20 5 EFBDHM O=[N+]([O-])c1ccc(Cl)c(CNCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001607081120 1097508036 /nfs/dbraw/zinc/50/80/36/1097508036.db2.gz CWJBFBSRGVPPAF-UHFFFAOYSA-N -1 3 344.762 2.718 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NC[C@H]1CCc2ccccc21 ZINC001607081926 1097508285 /nfs/dbraw/zinc/50/82/85/1097508285.db2.gz LIRXICVNDJIXTQ-CYBMUJFWSA-N -1 3 336.355 2.917 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NC[C@H]1CCc2ccccc21 ZINC001607081926 1097508290 /nfs/dbraw/zinc/50/82/90/1097508290.db2.gz LIRXICVNDJIXTQ-CYBMUJFWSA-N -1 3 336.355 2.917 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCc1cc(F)ccc1F ZINC001607081614 1097508947 /nfs/dbraw/zinc/50/89/47/1097508947.db2.gz ISQXPOKEFJJRHU-UHFFFAOYSA-N -1 3 332.270 2.665 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCc1cc(F)ccc1F ZINC001607081614 1097508949 /nfs/dbraw/zinc/50/89/49/1097508949.db2.gz ISQXPOKEFJJRHU-UHFFFAOYSA-N -1 3 332.270 2.665 20 5 EFBDHM O=[N+]([O-])c1ccc(Sc2ccc3n[nH]cc3c2)c(-c2nnn[n-]2)c1 ZINC001607084104 1097510048 /nfs/dbraw/zinc/51/00/48/1097510048.db2.gz YCSMIYKZJSIKPZ-UHFFFAOYSA-N -1 3 339.340 2.802 20 5 EFBDHM O=[N+]([O-])c1ccc(Sc2ccc3n[nH]cc3c2)c(-c2nn[n-]n2)c1 ZINC001607084104 1097510052 /nfs/dbraw/zinc/51/00/52/1097510052.db2.gz YCSMIYKZJSIKPZ-UHFFFAOYSA-N -1 3 339.340 2.802 20 5 EFBDHM O=[N+]([O-])c1ccc2nc(NCC3CC=CC3)cc(-c3nnn[n-]3)c2c1 ZINC001607083534 1097510133 /nfs/dbraw/zinc/51/01/33/1097510133.db2.gz JEXJQJOTMOXTHL-UHFFFAOYSA-N -1 3 337.343 2.701 20 5 EFBDHM O=[N+]([O-])c1ccc2nc(NCC3CC=CC3)cc(-c3nn[n-]n3)c2c1 ZINC001607083534 1097510135 /nfs/dbraw/zinc/51/01/35/1097510135.db2.gz JEXJQJOTMOXTHL-UHFFFAOYSA-N -1 3 337.343 2.701 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N[C@H](C1CCC1)[C@@H]1CCCO1 ZINC001607083062 1097510230 /nfs/dbraw/zinc/51/02/30/1097510230.db2.gz VSITVSXMUBQSKH-LSDHHAIUSA-N -1 3 344.375 2.535 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N[C@H](C1CCC1)[C@@H]1CCCO1 ZINC001607083062 1097510234 /nfs/dbraw/zinc/51/02/34/1097510234.db2.gz VSITVSXMUBQSKH-LSDHHAIUSA-N -1 3 344.375 2.535 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CN(Cc1ccoc1)C1CC1 ZINC001607084012 1097510503 /nfs/dbraw/zinc/51/05/03/1097510503.db2.gz QIHDBXVNJODXDN-UHFFFAOYSA-N -1 3 340.343 2.533 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1CN(Cc1ccoc1)C1CC1 ZINC001607084012 1097510509 /nfs/dbraw/zinc/51/05/09/1097510509.db2.gz QIHDBXVNJODXDN-UHFFFAOYSA-N -1 3 340.343 2.533 20 5 EFBDHM O=[N+]([O-])c1cnc(N[C@@H](C2CCC2)C2CCCC2)c(-c2nnn[n-]2)c1 ZINC001607086828 1097510692 /nfs/dbraw/zinc/51/06/92/1097510692.db2.gz SFYLSHSTEGKRMG-CQSZACIVSA-N -1 3 343.391 2.941 20 5 EFBDHM O=[N+]([O-])c1cnc(N[C@@H](C2CCC2)C2CCCC2)c(-c2nn[n-]n2)c1 ZINC001607086828 1097510698 /nfs/dbraw/zinc/51/06/98/1097510698.db2.gz SFYLSHSTEGKRMG-CQSZACIVSA-N -1 3 343.391 2.941 20 5 EFBDHM O=[N+]([O-])c1sccc1OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC001607087987 1097511280 /nfs/dbraw/zinc/51/12/80/1097511280.db2.gz DUACSCIBTOOGIJ-UHFFFAOYSA-N -1 3 342.340 2.668 20 5 EFBDHM O=[N+]([O-])c1sccc1OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC001607087987 1097511285 /nfs/dbraw/zinc/51/12/85/1097511285.db2.gz DUACSCIBTOOGIJ-UHFFFAOYSA-N -1 3 342.340 2.668 20 5 EFBDHM CC1(C)CC[C@@H](C(=O)OCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001609145073 1098168302 /nfs/dbraw/zinc/16/83/02/1098168302.db2.gz YWBJWUXYYKSTSN-SNVBAGLBSA-N -1 3 345.359 2.644 20 5 EFBDHM CC1(C)CC[C@@H](C(=O)OCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001609145073 1098168304 /nfs/dbraw/zinc/16/83/04/1098168304.db2.gz YWBJWUXYYKSTSN-SNVBAGLBSA-N -1 3 345.359 2.644 20 5 EFBDHM C[C@@H]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@H]1C ZINC001609162891 1098175627 /nfs/dbraw/zinc/17/56/27/1098175627.db2.gz MLNIMFQIZDUZNF-VWYCJHECSA-N -1 3 331.380 2.654 20 5 EFBDHM C[C@@H]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@H]1C ZINC001609162891 1098175631 /nfs/dbraw/zinc/17/56/31/1098175631.db2.gz MLNIMFQIZDUZNF-VWYCJHECSA-N -1 3 331.380 2.654 20 5 EFBDHM C[C@@H]1CC[C@@]2(CCN(c3cc(-c4nnn[n-]4)ccc3[N+](=O)[O-])C2)C1 ZINC001609163099 1098178394 /nfs/dbraw/zinc/17/83/94/1098178394.db2.gz RXTPWIFRKSONQV-BDJLRTHQSA-N -1 3 328.376 2.791 20 5 EFBDHM C[C@@H]1CC[C@@]2(CCN(c3cc(-c4nn[n-]n4)ccc3[N+](=O)[O-])C2)C1 ZINC001609163099 1098178396 /nfs/dbraw/zinc/17/83/96/1098178396.db2.gz RXTPWIFRKSONQV-BDJLRTHQSA-N -1 3 328.376 2.791 20 5 EFBDHM C[C@H]1CCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC12CCC2 ZINC001609169189 1098181085 /nfs/dbraw/zinc/18/10/85/1098181085.db2.gz WIGVHRQSQREFSP-NSHDSACASA-N -1 3 328.376 2.791 20 5 EFBDHM C[C@H]1CCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CC12CCC2 ZINC001609169189 1098181087 /nfs/dbraw/zinc/18/10/87/1098181087.db2.gz WIGVHRQSQREFSP-NSHDSACASA-N -1 3 328.376 2.791 20 5 EFBDHM C[C@@H]1Oc2ccccc2[C@H]1Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609179523 1098184584 /nfs/dbraw/zinc/18/45/84/1098184584.db2.gz SXDAHBJISGMMGV-VFZGTOFNSA-N -1 3 338.327 2.709 20 5 EFBDHM CC[C@H](C)n1ncc(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1C ZINC001609187856 1098188527 /nfs/dbraw/zinc/18/85/27/1098188527.db2.gz QTHMFUPFFCITAA-VIFPVBQESA-N -1 3 342.363 2.994 20 5 EFBDHM CC[C@H](C)n1ncc(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1C ZINC001609187856 1098188530 /nfs/dbraw/zinc/18/85/30/1098188530.db2.gz QTHMFUPFFCITAA-VIFPVBQESA-N -1 3 342.363 2.994 20 5 EFBDHM CCCO[C@H]1CCCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC001609216146 1098206891 /nfs/dbraw/zinc/20/68/91/1098206891.db2.gz LFMUUDHJNWXWCJ-ZDUSSCGKSA-N -1 3 346.391 2.560 20 5 EFBDHM CCOc1ccc([N+](=O)[O-])cc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC001609245738 1098219356 /nfs/dbraw/zinc/21/93/56/1098219356.db2.gz IGDIJKONBXXWID-UHFFFAOYSA-N -1 3 340.343 2.786 20 5 EFBDHM CCOc1ccc([N+](=O)[O-])cc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC001609245738 1098219364 /nfs/dbraw/zinc/21/93/64/1098219364.db2.gz IGDIJKONBXXWID-UHFFFAOYSA-N -1 3 340.343 2.786 20 5 EFBDHM CCOc1ccc([N+](=O)[O-])cc1NCc1ccccc1-c1nnn[n-]1 ZINC001609246013 1098220103 /nfs/dbraw/zinc/22/01/03/1098220103.db2.gz XLBCYHQYHNNWPE-UHFFFAOYSA-N -1 3 340.343 2.786 20 5 EFBDHM CCOc1ccc([N+](=O)[O-])cc1NCc1ccccc1-c1nn[n-]n1 ZINC001609246013 1098220109 /nfs/dbraw/zinc/22/01/09/1098220109.db2.gz XLBCYHQYHNNWPE-UHFFFAOYSA-N -1 3 340.343 2.786 20 5 EFBDHM CCc1nn(C)c(Sc2ccc(-c3nnn[n-]3)c(C)c2)c1[N+](=O)[O-] ZINC001609255505 1098228498 /nfs/dbraw/zinc/22/84/98/1098228498.db2.gz ANHZVBDOTSXFEX-UHFFFAOYSA-N -1 3 345.388 2.530 20 5 EFBDHM CCc1nn(C)c(Sc2ccc(-c3nn[n-]n3)c(C)c2)c1[N+](=O)[O-] ZINC001609255505 1098228502 /nfs/dbraw/zinc/22/85/02/1098228502.db2.gz ANHZVBDOTSXFEX-UHFFFAOYSA-N -1 3 345.388 2.530 20 5 EFBDHM CN(CCc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609276490 1098233692 /nfs/dbraw/zinc/23/36/92/1098233692.db2.gz QGFLBKOQXNHSHX-UHFFFAOYSA-N -1 3 342.334 2.593 20 5 EFBDHM CN(CCc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609276490 1098233696 /nfs/dbraw/zinc/23/36/96/1098233696.db2.gz QGFLBKOQXNHSHX-UHFFFAOYSA-N -1 3 342.334 2.593 20 5 EFBDHM CN(CCc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609276323 1098234544 /nfs/dbraw/zinc/23/45/44/1098234544.db2.gz DENNKCHKBIMELJ-UHFFFAOYSA-N -1 3 342.334 2.593 20 5 EFBDHM CN(CCc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609276323 1098234549 /nfs/dbraw/zinc/23/45/49/1098234549.db2.gz DENNKCHKBIMELJ-UHFFFAOYSA-N -1 3 342.334 2.593 20 5 EFBDHM COc1ccc(C)cc1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609353343 1098261323 /nfs/dbraw/zinc/26/13/23/1098261323.db2.gz UQMJUFHFKYZVQP-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM COc1ccc(C)cc1CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609353343 1098261330 /nfs/dbraw/zinc/26/13/30/1098261330.db2.gz UQMJUFHFKYZVQP-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM COc1ccc(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])c(F)c1 ZINC001609355755 1098264189 /nfs/dbraw/zinc/26/41/89/1098264189.db2.gz HOUTXTOPSKWIHM-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM COc1ccc(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])c(F)c1 ZINC001609355755 1098264194 /nfs/dbraw/zinc/26/41/94/1098264194.db2.gz HOUTXTOPSKWIHM-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM COc1cccc([C@@H](C)Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)c1 ZINC001609361054 1098265502 /nfs/dbraw/zinc/26/55/02/1098265502.db2.gz BGJYOGCIRGXJMF-SNVBAGLBSA-N -1 3 340.343 2.957 20 5 EFBDHM Cc1c(NCc2ccc(-c3nnn[n-]3)cc2F)cccc1[N+](=O)[O-] ZINC001609385619 1098277721 /nfs/dbraw/zinc/27/77/21/1098277721.db2.gz MVTQMUSEXMJHNJ-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM Cc1c(NCc2ccc(-c3nn[n-]n3)cc2F)cccc1[N+](=O)[O-] ZINC001609385619 1098277728 /nfs/dbraw/zinc/27/77/28/1098277728.db2.gz MVTQMUSEXMJHNJ-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM Cc1cccc(OCc2ccc(-c3nnn[n-]3)cc2C)c1[N+](=O)[O-] ZINC001609388109 1098279821 /nfs/dbraw/zinc/27/98/21/1098279821.db2.gz DHFOJIYXDOFXRI-UHFFFAOYSA-N -1 3 325.328 2.971 20 5 EFBDHM Cc1cccc(OCc2ccc(-c3nn[n-]n3)cc2C)c1[N+](=O)[O-] ZINC001609388109 1098279827 /nfs/dbraw/zinc/27/98/27/1098279827.db2.gz DHFOJIYXDOFXRI-UHFFFAOYSA-N -1 3 325.328 2.971 20 5 EFBDHM Cc1cc(OCc2cc(F)ccc2-c2nnn[n-]2)c(F)cc1[N+](=O)[O-] ZINC001609411648 1098298466 /nfs/dbraw/zinc/29/84/66/1098298466.db2.gz UHRJOWBILNNQIE-UHFFFAOYSA-N -1 3 347.281 2.941 20 5 EFBDHM Cc1cc(OCc2cc(F)ccc2-c2nn[n-]n2)c(F)cc1[N+](=O)[O-] ZINC001609411648 1098298470 /nfs/dbraw/zinc/29/84/70/1098298470.db2.gz UHRJOWBILNNQIE-UHFFFAOYSA-N -1 3 347.281 2.941 20 5 EFBDHM Cc1csc([C@@H](C)CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])n1 ZINC001609441999 1098324167 /nfs/dbraw/zinc/32/41/67/1098324167.db2.gz MYPFIWQHVWCETQ-QMMMGPOBSA-N -1 3 345.388 2.755 20 5 EFBDHM Cc1csc([C@@H](C)CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC001609441999 1098324174 /nfs/dbraw/zinc/32/41/74/1098324174.db2.gz MYPFIWQHVWCETQ-QMMMGPOBSA-N -1 3 345.388 2.755 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCC[C@@H]1CCCCO1 ZINC001609599958 1098394475 /nfs/dbraw/zinc/39/44/75/1098394475.db2.gz JXVAFRGUDASBLB-LBPRGKRZSA-N -1 3 332.364 2.536 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCC[C@@H]1CCCCO1 ZINC001609599958 1098394479 /nfs/dbraw/zinc/39/44/79/1098394479.db2.gz JXVAFRGUDASBLB-LBPRGKRZSA-N -1 3 332.364 2.536 20 5 EFBDHM O=[N+]([O-])c1cc(NCC2(CCO)CCCCC2)ccc1-c1nnn[n-]1 ZINC001609600897 1098395040 /nfs/dbraw/zinc/39/50/40/1098395040.db2.gz IXVXMFDIRHKYSB-UHFFFAOYSA-N -1 3 346.391 2.520 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CCc2ccc(F)cc21 ZINC001609601481 1098396531 /nfs/dbraw/zinc/39/65/31/1098396531.db2.gz YQOZVOVCBKTDPX-UHFFFAOYSA-N -1 3 326.291 2.608 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CCc2ccc(F)cc21 ZINC001609601481 1098396534 /nfs/dbraw/zinc/39/65/34/1098396534.db2.gz YQOZVOVCBKTDPX-UHFFFAOYSA-N -1 3 326.291 2.608 20 5 EFBDHM COc1cc(CN(C)[C@@H](C(=O)[O-])c2ccccc2)ccc1[N+](=O)[O-] ZINC001610293245 1098606226 /nfs/dbraw/zinc/60/62/26/1098606226.db2.gz VRQDCPFGBBNWRX-MRXNPFEDSA-N -1 3 330.340 2.861 20 5 EFBDHM O=C([O-])C[C@]1(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCOC1 ZINC001610758387 1098870309 /nfs/dbraw/zinc/87/03/09/1098870309.db2.gz TUNWUFYSOFZUMU-QGZVFWFLSA-N -1 3 346.339 2.578 20 5 EFBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[C@H](C[C@H]3CCOC3)C2)c1 ZINC001610842419 1098929053 /nfs/dbraw/zinc/92/90/53/1098929053.db2.gz WQRJYNFJVNOARG-ZIAGYGMSSA-N -1 3 348.399 2.932 20 5 EFBDHM Cc1cc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c(C)o1 ZINC000067432796 1101527505 /nfs/dbraw/zinc/52/75/05/1101527505.db2.gz FFGVWABEEYFYTF-SECBINFHSA-N -1 3 342.348 2.983 20 5 EFBDHM O=C(/C=C\C1CC1)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC1 ZINC001104380435 1102638575 /nfs/dbraw/zinc/63/85/75/1102638575.db2.gz PUJVGMIQDFBIQI-WAYWQWQTSA-N -1 3 346.387 2.503 20 5 EFBDHM CC[C@@H]([N-]c1nc(Cl)nc(C(=O)OC)c1[N+](=O)[O-])C(F)(F)F ZINC001161375258 1102674300 /nfs/dbraw/zinc/67/43/00/1102674300.db2.gz ZZVQPSSZYZPQGP-SCSAIBSYSA-N -1 3 342.661 2.578 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2noc(-c3cc4c(cc3[O-])OCO4)n2)cc1 ZINC000436887049 1103698375 /nfs/dbraw/zinc/69/83/75/1103698375.db2.gz IQMHXGHURNZJAN-UHFFFAOYSA-N -1 3 327.252 2.746 20 5 EFBDHM O=c1cc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)nc(C2CC2)[n-]1 ZINC000904578166 1108022115 /nfs/dbraw/zinc/02/21/15/1108022115.db2.gz ANYSHLVFBNEORF-UHFFFAOYSA-N -1 3 325.284 2.685 20 5 EFBDHM O=C(NC/C=C/CNc1ccc([N+](=O)[O-])cc1)c1ccccc1[O-] ZINC001107047691 1120098791 /nfs/dbraw/zinc/09/87/91/1120098791.db2.gz YNLOSVMYVXBYCZ-ONEGZZNKSA-N -1 3 327.340 2.699 20 5 EFBDHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342915168 304006317 /nfs/dbraw/zinc/00/63/17/304006317.db2.gz PLGGEZSZJVSFIY-UHFFFAOYSA-N -1 3 349.310 2.509 20 5 EFBDHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342915168 304006321 /nfs/dbraw/zinc/00/63/21/304006321.db2.gz PLGGEZSZJVSFIY-UHFFFAOYSA-N -1 3 349.310 2.509 20 5 EFBDHM COc1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1OC ZINC000028027464 201063584 /nfs/dbraw/zinc/06/35/84/201063584.db2.gz AURZBWHXAJNYPY-UHFFFAOYSA-N -1 3 342.311 2.741 20 5 EFBDHM O=C(Nc1cc(-c2ccccc2)on1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193628099 240118388 /nfs/dbraw/zinc/11/83/88/240118388.db2.gz ALUPSDUFJKNPDC-UHFFFAOYSA-N -1 3 326.268 2.603 20 5 EFBDHM CC[C@H](CCNCc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)[O-] ZINC000417674465 245086074 /nfs/dbraw/zinc/08/60/74/245086074.db2.gz ZIBVUIXGHSIYTD-SECBINFHSA-N -1 3 332.303 2.787 20 5 EFBDHM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000426805045 247301266 /nfs/dbraw/zinc/30/12/66/247301266.db2.gz YHHJDSNBAHHKHX-MRXNPFEDSA-N -1 3 330.340 2.909 20 5 EFBDHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])s1 ZINC000427275811 247332656 /nfs/dbraw/zinc/33/26/56/247332656.db2.gz USZOCKPYSXVEBO-JTQLQIEISA-N -1 3 341.414 2.708 20 5 EFBDHM COc1ccc([N-]C(=O)c2noc3c2C[C@@H](C)CC3)c([N+](=O)[O-])c1 ZINC000433575872 248072296 /nfs/dbraw/zinc/07/22/96/248072296.db2.gz OZGPMWXTTIVYSF-VIFPVBQESA-N -1 3 331.328 2.969 20 5 EFBDHM CC(C)Cn1cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cn1 ZINC000266401609 248283138 /nfs/dbraw/zinc/28/31/38/248283138.db2.gz XTRGXLIBUWICHP-UHFFFAOYSA-N -1 3 328.332 2.576 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCC(F)(F)F)cc1C ZINC000266405104 248284717 /nfs/dbraw/zinc/28/47/17/248284717.db2.gz AMTJBVKLQBBPDC-UHFFFAOYSA-N -1 3 340.323 2.832 20 5 EFBDHM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC2(CCC2)c2c1cccc2F ZINC000338453789 284617685 /nfs/dbraw/zinc/61/76/85/284617685.db2.gz WCWWJZRNNHMLNT-UHFFFAOYSA-N -1 3 343.314 2.917 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCCC(C)(C)C1 ZINC000442760786 250111687 /nfs/dbraw/zinc/11/16/87/250111687.db2.gz OFDMMUDGZXAERN-LLVKDONJSA-N -1 3 342.417 2.851 20 5 EFBDHM COCCc1cc([O-])ccc1NC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000444599697 250313849 /nfs/dbraw/zinc/31/38/49/250313849.db2.gz XFRGFYOENLVWPJ-UHFFFAOYSA-N -1 3 348.359 2.588 20 5 EFBDHM CCOc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1Cl ZINC000445197413 250395188 /nfs/dbraw/zinc/39/51/88/250395188.db2.gz TYIFHXXMUHTSKC-UHFFFAOYSA-N -1 3 337.719 3.000 20 5 EFBDHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000175631105 207143703 /nfs/dbraw/zinc/14/37/03/207143703.db2.gz SMVGGDWQSATVHU-JTQLQIEISA-N -1 3 341.414 2.708 20 5 EFBDHM COc1ccc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c([O-])c1 ZINC000176882875 533319530 /nfs/dbraw/zinc/31/95/30/533319530.db2.gz ITGRIMAJKCAQSH-UHFFFAOYSA-N -1 3 330.340 2.974 20 5 EFBDHM CC(C)OCc1cccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000126360028 141366172 /nfs/dbraw/zinc/36/61/72/141366172.db2.gz NYLJJVRSNIAOLU-UHFFFAOYSA-N -1 3 331.328 2.873 20 5 EFBDHM CCc1nc(C(=O)[N-]c2cc3c(cc2[N+](=O)[O-])OCCCO3)co1 ZINC000346437606 142204266 /nfs/dbraw/zinc/20/42/66/142204266.db2.gz GMVBBUYKQJALDZ-UHFFFAOYSA-N -1 3 333.300 2.559 20 5 EFBDHM O=C([N-]c1cc(F)cc([N+](=O)[O-])c1)c1cn(-c2ccccc2)nn1 ZINC000347940008 142296640 /nfs/dbraw/zinc/29/66/40/142296640.db2.gz BNQVCQAOPAAAJA-UHFFFAOYSA-N -1 3 327.275 2.567 20 5 EFBDHM Cc1cccc(-n2cc(C(=O)[N-]c3cc(F)cc([N+](=O)[O-])c3)nn2)c1 ZINC000348022379 142310556 /nfs/dbraw/zinc/31/05/56/142310556.db2.gz VYLZFERFFOHNRQ-UHFFFAOYSA-N -1 3 341.302 2.875 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-]CC2(C)CCCCC2)c([N+](=O)[O-])c1 ZINC000349871801 142371408 /nfs/dbraw/zinc/37/14/08/142371408.db2.gz KZBFJSQOTSPGIF-UHFFFAOYSA-N -1 3 342.417 2.852 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)c2cccc(O)c2)cc1[N+](=O)[O-] ZINC000342506171 145139834 /nfs/dbraw/zinc/13/98/34/145139834.db2.gz FYONZSYBACVTQR-QMMMGPOBSA-N -1 3 342.398 2.710 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)c2cncc(F)c2)cc1[N+](=O)[O-] ZINC000342522294 145142511 /nfs/dbraw/zinc/14/25/11/145142511.db2.gz SRWPGXBSCCZEJS-ZETCQYMHSA-N -1 3 345.377 2.538 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC1(Cc2ccccc2)CC1 ZINC000352887524 146340541 /nfs/dbraw/zinc/34/05/41/146340541.db2.gz YEMMAROIUICBFT-UHFFFAOYSA-N -1 3 346.408 2.896 20 5 EFBDHM CC(C)C(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000356690627 147310983 /nfs/dbraw/zinc/31/09/83/147310983.db2.gz QHAHEFUQZXLCGC-UHFFFAOYSA-N -1 3 344.327 2.542 20 5 EFBDHM CCOc1cc([N-]C(=O)c2ocnc2C)c([N+](=O)[O-])cc1OCC ZINC000356768197 147330342 /nfs/dbraw/zinc/33/03/42/147330342.db2.gz UDBPXMOEEOGXFY-UHFFFAOYSA-N -1 3 335.316 2.941 20 5 EFBDHM CS[C@@H](C)CCC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000359249933 148035803 /nfs/dbraw/zinc/03/58/03/148035803.db2.gz YKNPMQBBJUNPFQ-JTQLQIEISA-N -1 3 334.401 2.877 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2F)cc1[N+](=O)[O-] ZINC000359662405 148154919 /nfs/dbraw/zinc/15/49/19/148154919.db2.gz GBBHNLKCKJENJM-UHFFFAOYSA-N -1 3 340.332 2.852 20 5 EFBDHM CC(=O)c1ccc(NCc2nnc(C(F)(F)F)[n-]2)c([N+](=O)[O-])c1 ZINC000359688021 148162857 /nfs/dbraw/zinc/16/28/57/148162857.db2.gz QHDCEDLHTNFVGT-UHFFFAOYSA-N -1 3 329.238 2.546 20 5 EFBDHM CC(=O)c1ccc(NCc2n[n-]c(C(F)(F)F)n2)c([N+](=O)[O-])c1 ZINC000359688021 148162860 /nfs/dbraw/zinc/16/28/60/148162860.db2.gz QHDCEDLHTNFVGT-UHFFFAOYSA-N -1 3 329.238 2.546 20 5 EFBDHM CC(=O)c1ccc(NCc2nc(C(F)(F)F)n[n-]2)c([N+](=O)[O-])c1 ZINC000359688021 148162861 /nfs/dbraw/zinc/16/28/61/148162861.db2.gz QHDCEDLHTNFVGT-UHFFFAOYSA-N -1 3 329.238 2.546 20 5 EFBDHM CCOc1cccc(NCc2nnc(C(F)(F)F)[n-]2)c1[N+](=O)[O-] ZINC000359715872 148170111 /nfs/dbraw/zinc/17/01/11/148170111.db2.gz PKYYDCJQDTURJD-UHFFFAOYSA-N -1 3 331.254 2.743 20 5 EFBDHM CCOc1cccc(NCc2n[n-]c(C(F)(F)F)n2)c1[N+](=O)[O-] ZINC000359715872 148170113 /nfs/dbraw/zinc/17/01/13/148170113.db2.gz PKYYDCJQDTURJD-UHFFFAOYSA-N -1 3 331.254 2.743 20 5 EFBDHM CCOc1cccc(NCc2nc(C(F)(F)F)n[n-]2)c1[N+](=O)[O-] ZINC000359715872 148170114 /nfs/dbraw/zinc/17/01/14/148170114.db2.gz PKYYDCJQDTURJD-UHFFFAOYSA-N -1 3 331.254 2.743 20 5 EFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CC2(C(F)F)CC2)c1[N+](=O)[O-] ZINC000359780603 148186479 /nfs/dbraw/zinc/18/64/79/148186479.db2.gz CDFZCWIJGRTIIP-UHFFFAOYSA-N -1 3 334.344 2.535 20 5 EFBDHM Cc1cc(N(C)C[C@H](C)c2nnn[n-]2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000360065304 148263502 /nfs/dbraw/zinc/26/35/02/148263502.db2.gz HADPQPPPBALSRZ-QMMMGPOBSA-N -1 3 344.297 2.675 20 5 EFBDHM Cc1cc(N(C)C[C@H](C)c2nn[n-]n2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000360065304 148263504 /nfs/dbraw/zinc/26/35/04/148263504.db2.gz HADPQPPPBALSRZ-QMMMGPOBSA-N -1 3 344.297 2.675 20 5 EFBDHM Cc1c(C[N-]S(=O)(=O)c2cc(F)ccc2F)cccc1[N+](=O)[O-] ZINC000360132798 148280092 /nfs/dbraw/zinc/28/00/92/148280092.db2.gz PXHJETWMSBAOOI-UHFFFAOYSA-N -1 3 342.323 2.660 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2c3ccccc3O[C@H]2C)c([N+](=O)[O-])c1 ZINC000341896925 292184933 /nfs/dbraw/zinc/18/49/33/292184933.db2.gz LACUFOIKGRDWAH-MEDUHNTESA-N -1 3 348.380 2.704 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1ccc(Cl)s1 ZINC000028317750 272963747 /nfs/dbraw/zinc/96/37/47/272963747.db2.gz YEJOTXHWMNXXSZ-UHFFFAOYSA-N -1 3 332.790 2.788 20 5 EFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H]2CCCC2(C)C)cc1[N+](=O)[O-] ZINC000187366321 265098276 /nfs/dbraw/zinc/09/82/76/265098276.db2.gz SHIMIWFYKHRQHZ-GFCCVEGCSA-N -1 3 346.380 2.600 20 5 EFBDHM COc1cc(C(=O)[N-]c2nc(SC)ns2)cc([N+](=O)[O-])c1C ZINC000276807232 267052731 /nfs/dbraw/zinc/05/27/31/267052731.db2.gz NJBSKFZTXHYHAD-UHFFFAOYSA-N -1 3 340.386 2.738 20 5 EFBDHM COc1cc(C[NH2+]C[C@H](CC(=O)[O-])CC(C)C)c([N+](=O)[O-])cc1[O-] ZINC000277057249 267108273 /nfs/dbraw/zinc/10/82/73/267108273.db2.gz TUJQZHVPOAOMLL-NSHDSACASA-N -1 3 340.376 2.536 20 5 EFBDHM Cc1ccc(CN(C)C)cc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000183040623 273047010 /nfs/dbraw/zinc/04/70/10/273047010.db2.gz CJUOZVKXVVEREF-UHFFFAOYSA-N -1 3 329.356 2.923 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CCc2c1cccc2O ZINC000269762798 273090413 /nfs/dbraw/zinc/09/04/13/273090413.db2.gz DJAQYWOJTIPWFM-ZDUSSCGKSA-N -1 3 348.380 2.575 20 5 EFBDHM CCc1onc(C)c1[N-]C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000279275105 273196550 /nfs/dbraw/zinc/19/65/50/273196550.db2.gz WVLJCZYWXJJTCI-UHFFFAOYSA-N -1 3 336.323 2.911 20 5 EFBDHM CCCc1nc(C(=O)[N-]c2cc3c(cc2[N+](=O)[O-])OCCCO3)co1 ZINC000282261161 273537095 /nfs/dbraw/zinc/53/70/95/273537095.db2.gz SEMONJMSWUHGKV-UHFFFAOYSA-N -1 3 347.327 2.949 20 5 EFBDHM O=C([N-]O[C@@H]1CCCCO1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000283186551 273683309 /nfs/dbraw/zinc/68/33/09/273683309.db2.gz VOWONLKUZMRIIW-CQSZACIVSA-N -1 3 343.339 2.845 20 5 EFBDHM COCC(C)(C)CCC[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000286832094 274282246 /nfs/dbraw/zinc/28/22/46/274282246.db2.gz WBQDCMMUWUKSNC-UHFFFAOYSA-N -1 3 344.433 2.634 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCCSC2)c1C ZINC000287606055 274455461 /nfs/dbraw/zinc/45/54/61/274455461.db2.gz ZATMNTSOQJZFIA-LBPRGKRZSA-N -1 3 344.458 2.633 20 5 EFBDHM C[C@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000288632582 274633106 /nfs/dbraw/zinc/63/31/06/274633106.db2.gz OCLHNPNDLXNKCO-BDJLRTHQSA-N -1 3 348.380 2.536 20 5 EFBDHM Cc1cc(S(=O)(=O)[N-][C@H](C2CC2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000288654725 274637682 /nfs/dbraw/zinc/63/76/82/274637682.db2.gz QZDHIVYBNPKTOB-LLVKDONJSA-N -1 3 338.307 2.522 20 5 EFBDHM CCSCC[C@@H](C)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000174070429 280038947 /nfs/dbraw/zinc/03/89/47/280038947.db2.gz MHMBQBFPAKZEON-LLVKDONJSA-N -1 3 332.447 2.713 20 5 EFBDHM O=C(NCc1ccc([O-])c(F)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000132946505 293242822 /nfs/dbraw/zinc/24/28/22/293242822.db2.gz RWEZRTKOFVWSLK-UHFFFAOYSA-N -1 3 345.330 2.944 20 5 EFBDHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)CO2 ZINC000152561151 293339398 /nfs/dbraw/zinc/33/93/98/293339398.db2.gz XMXFGIKUQRTULE-CQSZACIVSA-N -1 3 348.380 2.624 20 5 EFBDHM COc1cc([C@H]2Nc3ccccc3C(=O)N2C)c([N+](=O)[O-])cc1[O-] ZINC000009468731 295026583 /nfs/dbraw/zinc/02/65/83/295026583.db2.gz LWXMYJDMDXHQLV-HNNXBMFYSA-N -1 3 329.312 2.505 20 5 EFBDHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2cccc([N+](=O)[O-])c2)cc1F ZINC000178127976 310777586 /nfs/dbraw/zinc/77/75/86/310777586.db2.gz QVLQQGQVXHSWSF-UHFFFAOYSA-N -1 3 342.323 2.660 20 5 EFBDHM CCc1nc(C)c(C(=O)[N-]c2cc3c(cc2[N+](=O)[O-])OCCCO3)o1 ZINC000297427921 310893611 /nfs/dbraw/zinc/89/36/11/310893611.db2.gz AKYAUXOABWHFGV-UHFFFAOYSA-N -1 3 347.327 2.867 20 5 EFBDHM O=C(Nc1cccc(CN2CCSCC2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000299422410 311083323 /nfs/dbraw/zinc/08/33/23/311083323.db2.gz HPVGHGCZJDITFZ-UHFFFAOYSA-N -1 3 346.412 2.724 20 5 EFBDHM CC[C@H]1CCc2nc([N-]C(=O)c3n[nH]c(C)c3[N+](=O)[O-])sc2C1 ZINC000299538057 311094493 /nfs/dbraw/zinc/09/44/93/311094493.db2.gz NTUNRUVMFPIRAG-QMMMGPOBSA-N -1 3 335.389 2.850 20 5 EFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000462303340 313113523 /nfs/dbraw/zinc/11/35/23/313113523.db2.gz QJJUSTMKFBJNIW-SNVBAGLBSA-N -1 3 330.381 2.981 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000462501924 313115531 /nfs/dbraw/zinc/11/55/31/313115531.db2.gz OJBLOKIINFVWEU-CABCVRRESA-N -1 3 346.408 2.813 20 5 EFBDHM COC(=O)c1ccc(F)c([N-]C(=O)c2cccc([N+](=O)[O-])c2OC)c1 ZINC000474422305 313208988 /nfs/dbraw/zinc/20/89/88/313208988.db2.gz QJAXHGGUHZULCZ-UHFFFAOYSA-N -1 3 348.286 2.781 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C1(Cc2ccccc2)CC1 ZINC000476536408 313233791 /nfs/dbraw/zinc/23/37/91/313233791.db2.gz AGZZFJDIOUJVAH-UHFFFAOYSA-N -1 3 346.408 2.957 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]C2(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000476547520 313234237 /nfs/dbraw/zinc/23/42/37/313234237.db2.gz OBGABLHHHGWRHF-UHFFFAOYSA-N -1 3 346.408 2.957 20 5 EFBDHM Cc1cccc(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1 ZINC000480941084 313285578 /nfs/dbraw/zinc/28/55/78/313285578.db2.gz XLBFJSMTWXIUDQ-UHFFFAOYSA-N -1 3 334.397 2.999 20 5 EFBDHM Cc1cscc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000487357280 313387124 /nfs/dbraw/zinc/38/71/24/313387124.db2.gz OZMVFQSWGAHCBA-UHFFFAOYSA-N -1 3 332.428 2.813 20 5 EFBDHM Cc1cscc1C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000487362265 313388105 /nfs/dbraw/zinc/38/81/05/313388105.db2.gz IMHVTTIUDGCQSD-UHFFFAOYSA-N -1 3 326.399 2.752 20 5 EFBDHM CC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000491597142 313768825 /nfs/dbraw/zinc/76/88/25/313768825.db2.gz RPPLBFUTPHTWFL-BXKDBHETSA-N -1 3 346.380 2.600 20 5 EFBDHM COC(=O)Nc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000495534068 314745840 /nfs/dbraw/zinc/74/58/40/314745840.db2.gz PVBCFKIZGBAJRD-UHFFFAOYSA-N -1 3 332.268 2.698 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-][C@H](C)Cc2ccsc2)c([N+](=O)[O-])c1 ZINC000523499211 316127794 /nfs/dbraw/zinc/12/77/94/316127794.db2.gz XMXTYXKYVLNBTC-LLVKDONJSA-N -1 3 340.426 2.874 20 5 EFBDHM CCc1cccc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)c1[O-] ZINC000530715939 317170020 /nfs/dbraw/zinc/17/00/20/317170020.db2.gz ZZJPDKLYQFWYNU-UHFFFAOYSA-N -1 3 330.340 2.672 20 5 EFBDHM COc1ccc(CN(C)C)cc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000543721491 317861286 /nfs/dbraw/zinc/86/12/86/317861286.db2.gz DJFUAGWWIMGHKB-UHFFFAOYSA-N -1 3 345.355 2.623 20 5 EFBDHM O=C([N-]c1nc(Cc2ccccc2)cs1)c1c[nH]nc1[N+](=O)[O-] ZINC000548745567 318139057 /nfs/dbraw/zinc/13/90/57/318139057.db2.gz UKAIKEZRTWSYLT-UHFFFAOYSA-N -1 3 329.341 2.618 20 5 EFBDHM O=C(N=c1cc2ccccn2[n-]1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000552984134 318267628 /nfs/dbraw/zinc/26/76/28/318267628.db2.gz QFISGOXPSRRXLA-UHFFFAOYSA-N -1 3 348.265 2.518 20 5 EFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)N=c2cc3ccccn3[n-]2)c1 ZINC000553000435 318268112 /nfs/dbraw/zinc/26/81/12/318268112.db2.gz GHXCXHMPEQFSRG-UHFFFAOYSA-N -1 3 328.353 2.639 20 5 EFBDHM CC(C)(C(=O)N=c1cc2ccccn2[n-]1)c1ccc([N+](=O)[O-])cc1F ZINC000553331884 318279579 /nfs/dbraw/zinc/27/95/79/318279579.db2.gz APDUCTHEKOVFOV-UHFFFAOYSA-N -1 3 342.330 2.720 20 5 EFBDHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000555727444 318367039 /nfs/dbraw/zinc/36/70/39/318367039.db2.gz IMCSONLIFLTNDQ-JTQLQIEISA-N -1 3 338.327 2.517 20 5 EFBDHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000555727444 318367042 /nfs/dbraw/zinc/36/70/42/318367042.db2.gz IMCSONLIFLTNDQ-JTQLQIEISA-N -1 3 338.327 2.517 20 5 EFBDHM CCOc1cc(C(=O)[N-]c2nc(CC)co2)c([N+](=O)[O-])cc1OC ZINC000560455124 318553969 /nfs/dbraw/zinc/55/39/69/318553969.db2.gz XLDPFUUPCHNVPV-UHFFFAOYSA-N -1 3 335.316 2.805 20 5 EFBDHM CC(C)N1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000566272477 319055571 /nfs/dbraw/zinc/05/55/71/319055571.db2.gz AOAWSSDOZGKLBW-UHFFFAOYSA-N -1 3 341.795 2.510 20 5 EFBDHM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000566431690 319074689 /nfs/dbraw/zinc/07/46/89/319074689.db2.gz OUQJOUFMVQTPDX-UHFFFAOYSA-N -1 3 328.328 2.837 20 5 EFBDHM Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1CN(C)C ZINC000567869923 319220429 /nfs/dbraw/zinc/22/04/29/319220429.db2.gz MONPMYXZVCKQSL-UHFFFAOYSA-N -1 3 349.412 2.766 20 5 EFBDHM Cc1cc(N2CCN(C3CC3)C[C@@H](C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000567976193 319232377 /nfs/dbraw/zinc/23/23/77/319232377.db2.gz JCVSVWUAZKFHDZ-LLVKDONJSA-N -1 3 333.388 2.522 20 5 EFBDHM C[C@H]1[C@H](C(=O)[O-])CCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000568072423 319243866 /nfs/dbraw/zinc/24/38/66/319243866.db2.gz AQQNYSSCKAEKAK-IINYFYTJSA-N -1 3 331.328 2.545 20 5 EFBDHM O=C([N-]c1nc(-c2cccc(F)c2)cs1)c1c[nH]nc1[N+](=O)[O-] ZINC000573662209 319786165 /nfs/dbraw/zinc/78/61/65/319786165.db2.gz PWUGWVOJXNBVNS-UHFFFAOYSA-N -1 3 333.304 2.833 20 5 EFBDHM CN(CCOc1ccccc1C(=O)[O-])CCc1ccccc1[N+](=O)[O-] ZINC000578155500 320179235 /nfs/dbraw/zinc/17/92/35/320179235.db2.gz OSLQQJUFMGUURR-UHFFFAOYSA-N -1 3 344.367 2.846 20 5 EFBDHM C[C@H](C(=O)N=c1cc(-c2cccnc2)[n-][nH]1)c1cccc([N+](=O)[O-])c1 ZINC000580029727 324079439 /nfs/dbraw/zinc/07/94/39/324079439.db2.gz VMJUYSXUUKDWBM-NSHDSACASA-N -1 3 337.339 2.544 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CCCOc2ccccc21 ZINC000155424315 472547759 /nfs/dbraw/zinc/54/77/59/472547759.db2.gz JHODPLJIUKIMAG-ZDUSSCGKSA-N -1 3 348.380 2.787 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@H]1CCc2ccccc21 ZINC000111349997 473208711 /nfs/dbraw/zinc/20/87/11/473208711.db2.gz SXLLYCKPAWLUDE-CYBMUJFWSA-N -1 3 332.381 2.603 20 5 EFBDHM CSc1ccc(C(=O)[N-]c2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)o1 ZINC000112393742 473264591 /nfs/dbraw/zinc/26/45/91/473264591.db2.gz NQPQYQWJMBLRIQ-UHFFFAOYSA-N -1 3 345.340 2.947 20 5 EFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccsc1 ZINC000619752324 479875423 /nfs/dbraw/zinc/87/54/23/479875423.db2.gz SIRMXSFUCPYRJD-QMMMGPOBSA-N -1 3 330.362 2.835 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C1(c2ccc(F)cc2)CC1 ZINC000355389514 475896014 /nfs/dbraw/zinc/89/60/14/475896014.db2.gz GYGROENGTOOXQJ-UHFFFAOYSA-N -1 3 336.344 2.702 20 5 EFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H]2Cc3ccccc32)c1[N+](=O)[O-] ZINC000616411197 479901733 /nfs/dbraw/zinc/90/17/33/479901733.db2.gz DUVHYAZBUSKQSH-AWEZNQCLSA-N -1 3 346.408 2.830 20 5 EFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CCC(F)(F)C2)c1[N+](=O)[O-] ZINC000616425424 479905504 /nfs/dbraw/zinc/90/55/04/479905504.db2.gz ABYZZGSAULWHQK-SNVBAGLBSA-N -1 3 334.344 2.678 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000005126729 471487657 /nfs/dbraw/zinc/48/76/57/471487657.db2.gz YDRPLGHJBIKLJU-UHFFFAOYSA-N -1 3 344.295 2.682 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-]c2cccc(F)c2F)cc1[N+](=O)[O-] ZINC000067124786 471994873 /nfs/dbraw/zinc/99/48/73/471994873.db2.gz PUKMMNAIUPAHMI-UHFFFAOYSA-N -1 3 344.295 2.682 20 5 EFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCc2ccccc21 ZINC000053701046 472030231 /nfs/dbraw/zinc/03/02/31/472030231.db2.gz ZODLZOQPCQXFDZ-AWEZNQCLSA-N -1 3 348.380 2.569 20 5 EFBDHM O=C([N-]c1ncn(Cc2ccccc2)n1)c1csc([N+](=O)[O-])c1 ZINC000054113730 472058451 /nfs/dbraw/zinc/05/84/51/472058451.db2.gz HVZDNUQVCAASSZ-UHFFFAOYSA-N -1 3 329.341 2.548 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCCc1ccccc1 ZINC000055556777 472203265 /nfs/dbraw/zinc/20/32/65/472203265.db2.gz UIIRNAVKAGGGHE-UHFFFAOYSA-N -1 3 334.397 2.814 20 5 EFBDHM COC(=O)c1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000028027115 472210240 /nfs/dbraw/zinc/21/02/40/472210240.db2.gz NQYGWJULFMCINN-UHFFFAOYSA-N -1 3 340.295 2.510 20 5 EFBDHM CC(=O)c1cc2c(cc1[N-]C(=O)c1ccc([N+](=O)[O-])s1)OCO2 ZINC000028909566 472242494 /nfs/dbraw/zinc/24/24/94/472242494.db2.gz XRKIWCZVNXOXMP-UHFFFAOYSA-N -1 3 334.309 2.840 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(Cl)cc2)c(F)c1 ZINC000055941789 472260698 /nfs/dbraw/zinc/26/06/98/472260698.db2.gz LSQQHBQBEDDXFF-UHFFFAOYSA-N -1 3 344.751 2.866 20 5 EFBDHM CC(C)(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000043785459 472263390 /nfs/dbraw/zinc/26/33/90/472263390.db2.gz PFJSCIYWZHRNQR-UHFFFAOYSA-N -1 3 334.397 2.851 20 5 EFBDHM Cc1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)ccc1F ZINC000056003441 472269442 /nfs/dbraw/zinc/26/94/42/472269442.db2.gz YDLAPHRAWJQNHW-UHFFFAOYSA-N -1 3 342.323 2.660 20 5 EFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc(F)cc1 ZINC000029939764 472306362 /nfs/dbraw/zinc/30/63/62/472306362.db2.gz UPQLWRZGKGETPQ-UHFFFAOYSA-N -1 3 344.751 2.866 20 5 EFBDHM COc1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c([O-])c1 ZINC000088251873 472352043 /nfs/dbraw/zinc/35/20/43/472352043.db2.gz DLYUSMCZQWMYBA-UHFFFAOYSA-N -1 3 328.324 2.508 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CCc2cc(F)ccc21 ZINC000057019386 472375138 /nfs/dbraw/zinc/37/51/38/472375138.db2.gz UWNUEYFXFBISCS-ZDUSSCGKSA-N -1 3 336.344 2.700 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(N2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000088700751 472379760 /nfs/dbraw/zinc/37/97/60/472379760.db2.gz AFJKUXYMQLOHFQ-UHFFFAOYSA-N -1 3 341.367 2.571 20 5 EFBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(F)ccc1F ZINC000032586091 472445638 /nfs/dbraw/zinc/44/56/38/472445638.db2.gz LQKUFLNSSMXYFN-UHFFFAOYSA-N -1 3 328.296 2.982 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCc1cccc(F)c1 ZINC000046036189 472499402 /nfs/dbraw/zinc/49/94/02/472499402.db2.gz NAEAYENJJBIMAC-UHFFFAOYSA-N -1 3 338.360 2.563 20 5 EFBDHM O=C([N-]c1nnc(-c2ccccn2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000046755165 472594890 /nfs/dbraw/zinc/59/48/90/472594890.db2.gz BTDBKNLKHMCYBS-UHFFFAOYSA-N -1 3 327.325 2.761 20 5 EFBDHM CS(=O)(=O)c1cccc(Sc2cccc([O-])c2)c1[N+](=O)[O-] ZINC000130427988 472604998 /nfs/dbraw/zinc/60/49/98/472604998.db2.gz LLPQROKQRJJLNI-UHFFFAOYSA-N -1 3 325.367 2.855 20 5 EFBDHM O=[N+]([O-])c1ccc(C[N-]S(=O)(=O)c2cc(F)ccc2Cl)cc1 ZINC000103156211 472613936 /nfs/dbraw/zinc/61/39/36/472613936.db2.gz GHLRHYSPFVOATK-UHFFFAOYSA-N -1 3 344.751 2.866 20 5 EFBDHM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(F)c1F ZINC000103201352 472617607 /nfs/dbraw/zinc/61/76/07/472617607.db2.gz CQJHBNHCJZYWAA-UHFFFAOYSA-N -1 3 345.265 2.910 20 5 EFBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)c2cccc([O-])c2)c1C ZINC000078001814 472650610 /nfs/dbraw/zinc/65/06/10/472650610.db2.gz FNPAXHVWCRKCSL-UHFFFAOYSA-N -1 3 336.369 2.742 20 5 EFBDHM Cc1cccc2c1CC[C@@H]2[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000104753449 472690570 /nfs/dbraw/zinc/69/05/70/472690570.db2.gz RPQRKRQPESERNS-AWEZNQCLSA-N -1 3 332.381 2.869 20 5 EFBDHM CCO[C@@H](CC[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(C)C ZINC000072714821 472705865 /nfs/dbraw/zinc/70/58/65/472705865.db2.gz XUWGUSJTOJCXBV-AWEZNQCLSA-N -1 3 344.433 2.633 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2)c(Cl)c1 ZINC000047542661 472727609 /nfs/dbraw/zinc/72/76/09/472727609.db2.gz PXUZXHHIVTWNSG-UHFFFAOYSA-N -1 3 326.761 2.727 20 5 EFBDHM CCc1noc(C)c1C(=O)[N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000073082146 472770313 /nfs/dbraw/zinc/77/03/13/472770313.db2.gz NAYSSDZUPFJFRG-UHFFFAOYSA-N -1 3 347.327 2.867 20 5 EFBDHM CCCCc1nnc([N-]C(=O)c2cc(F)cc([N+](=O)[O-])c2N)s1 ZINC000048317390 472856036 /nfs/dbraw/zinc/85/60/36/472856036.db2.gz OMURGPPNCGMQNC-UHFFFAOYSA-N -1 3 339.352 2.763 20 5 EFBDHM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cc(-c2cccnc2)on1 ZINC000107771787 472981762 /nfs/dbraw/zinc/98/17/62/472981762.db2.gz ZPNIIKJKUCQGFM-UHFFFAOYSA-N -1 3 340.295 2.906 20 5 EFBDHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000093315400 473082453 /nfs/dbraw/zinc/08/24/53/473082453.db2.gz PGFXDDCDVHVQQK-UHFFFAOYSA-N -1 3 347.327 2.503 20 5 EFBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]C2CCCC2)c1 ZINC000066568794 473116150 /nfs/dbraw/zinc/11/61/50/473116150.db2.gz ZHPSZSRWRVDZFN-UHFFFAOYSA-N -1 3 349.206 2.578 20 5 EFBDHM Cc1ccc(-c2nnc(NC(=O)c3cc(C)cc([N+](=O)[O-])c3)[n-]2)o1 ZINC000160409919 473120240 /nfs/dbraw/zinc/12/02/40/473120240.db2.gz PSQFGHSJTZJHFJ-UHFFFAOYSA-N -1 3 327.300 2.842 20 5 EFBDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cc(C)cc([N+](=O)[O-])c3)n2)o1 ZINC000160409919 473120246 /nfs/dbraw/zinc/12/02/46/473120246.db2.gz PSQFGHSJTZJHFJ-UHFFFAOYSA-N -1 3 327.300 2.842 20 5 EFBDHM Cc1ccc(-c2nc(NC(=O)c3cc(C)cc([N+](=O)[O-])c3)n[n-]2)o1 ZINC000160409919 473120251 /nfs/dbraw/zinc/12/02/51/473120251.db2.gz PSQFGHSJTZJHFJ-UHFFFAOYSA-N -1 3 327.300 2.842 20 5 EFBDHM O=C(Nc1ccncc1[O-])C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000109889798 473133029 /nfs/dbraw/zinc/13/30/29/473133029.db2.gz MWIYMZCVEJAOHQ-UHFFFAOYSA-N -1 3 342.355 2.551 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-]C/C=C/c2ccccc2)cc1[N+](=O)[O-] ZINC000123988054 473202953 /nfs/dbraw/zinc/20/29/53/473202953.db2.gz QCPSHFMJZYVJJY-VMPITWQZSA-N -1 3 338.410 2.956 20 5 EFBDHM Cc1noc(C)c1[C@@H](C)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000113947044 473426924 /nfs/dbraw/zinc/42/69/24/473426924.db2.gz PFNFLIFOYAJLAV-SNVBAGLBSA-N -1 3 339.373 2.548 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CC=CC2)c(C(F)(F)F)c1 ZINC000163469198 473448660 /nfs/dbraw/zinc/44/86/60/473448660.db2.gz NCLLUTCTDFTHJA-UHFFFAOYSA-N -1 3 336.291 2.611 20 5 EFBDHM CC(C)c1csc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000185969954 473561862 /nfs/dbraw/zinc/56/18/62/473561862.db2.gz SNNQZKUVGNBAHR-UHFFFAOYSA-N -1 3 341.414 2.653 20 5 EFBDHM O=C([N-]c1cc(Br)c(F)cc1F)c1n[nH]cc1[N+](=O)[O-] ZINC000170605276 473563722 /nfs/dbraw/zinc/56/37/22/473563722.db2.gz OHDWJDFELZCYFB-UHFFFAOYSA-N -1 3 347.075 2.611 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2Cc3ccccc32)cc1C ZINC000170651997 473574748 /nfs/dbraw/zinc/57/47/48/473574748.db2.gz ABOOKMYDWSGUJR-CQSZACIVSA-N -1 3 346.408 2.830 20 5 EFBDHM Cc1cccnc1[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)C ZINC000115583444 473585390 /nfs/dbraw/zinc/58/53/90/473585390.db2.gz UBLQVPSZHHJSGE-OAHLLOKOSA-N -1 3 349.412 2.974 20 5 EFBDHM Cc1cc(S(=O)(=O)[N-]c2cccc(O)c2F)ccc1[N+](=O)[O-] ZINC000179332011 473674646 /nfs/dbraw/zinc/67/46/46/473674646.db2.gz UKPLAXLXXPBQDE-UHFFFAOYSA-N -1 3 326.305 2.549 20 5 EFBDHM CCc1[nH]nc(C(=O)[N-]c2c(F)cccc2N2CCCC2)c1[N+](=O)[O-] ZINC000192500755 473686404 /nfs/dbraw/zinc/68/64/04/473686404.db2.gz PYIREBSUGOALBU-UHFFFAOYSA-N -1 3 347.350 2.872 20 5 EFBDHM O=C(Nc1ccc(OC(F)(F)F)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186772100 473753903 /nfs/dbraw/zinc/75/39/03/473753903.db2.gz LCOGHCYRPWDPEZ-UHFFFAOYSA-N -1 3 343.217 2.846 20 5 EFBDHM O=C(Nc1cccc(OC(F)(F)F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186863523 473771256 /nfs/dbraw/zinc/77/12/56/473771256.db2.gz ZKBADLQUHILDMG-UHFFFAOYSA-N -1 3 343.217 2.846 20 5 EFBDHM CC[C@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1ccncc1 ZINC000173217212 473772692 /nfs/dbraw/zinc/77/26/92/473772692.db2.gz OMIOPHFABWIPPU-ZDUSSCGKSA-N -1 3 335.385 2.728 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H]1CCC(F)(F)C1 ZINC000281600890 473778976 /nfs/dbraw/zinc/77/89/76/473778976.db2.gz JZZGCUWGABGWIK-SNVBAGLBSA-N -1 3 334.344 2.617 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)C1CCCCC1 ZINC000173282709 473793323 /nfs/dbraw/zinc/79/33/23/473793323.db2.gz HONOYPVSSNSFHM-LLVKDONJSA-N -1 3 342.417 2.851 20 5 EFBDHM Cc1ccc(-c2[nH]nc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)c2C)o1 ZINC000193738211 473805490 /nfs/dbraw/zinc/80/54/90/473805490.db2.gz QAQAYHJHCDRECB-UHFFFAOYSA-N -1 3 343.299 2.548 20 5 EFBDHM CC(C)(NC(=O)c1cccc2nn[n-]c21)c1ccc([N+](=O)[O-])cc1 ZINC000180134926 473806971 /nfs/dbraw/zinc/80/69/71/473806971.db2.gz OBZAFNBYSZUAMM-UHFFFAOYSA-N -1 3 325.328 2.531 20 5 EFBDHM CC(C)(NC(=O)c1cccc2[n-]nnc21)c1ccc([N+](=O)[O-])cc1 ZINC000180134926 473806976 /nfs/dbraw/zinc/80/69/76/473806976.db2.gz OBZAFNBYSZUAMM-UHFFFAOYSA-N -1 3 325.328 2.531 20 5 EFBDHM CC(C)(NC(=O)c1cccc2n[n-]nc21)c1ccc([N+](=O)[O-])cc1 ZINC000180134926 473806983 /nfs/dbraw/zinc/80/69/83/473806983.db2.gz OBZAFNBYSZUAMM-UHFFFAOYSA-N -1 3 325.328 2.531 20 5 EFBDHM C[C@H](Cc1cccs1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000193871471 473817461 /nfs/dbraw/zinc/81/74/61/473817461.db2.gz MGYDPTDJBRFHJN-SECBINFHSA-N -1 3 344.389 2.705 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1Cc2ccccc21 ZINC000193980581 473824178 /nfs/dbraw/zinc/82/41/78/473824178.db2.gz VJUFPMVDDXEUSH-CYBMUJFWSA-N -1 3 332.381 2.521 20 5 EFBDHM O=C(Nc1cccc(-c2ncco2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187203127 473835213 /nfs/dbraw/zinc/83/52/13/473835213.db2.gz FWMAJLFUGFCPKW-UHFFFAOYSA-N -1 3 326.268 2.603 20 5 EFBDHM CN(C)c1c(Cl)cccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187555554 473885144 /nfs/dbraw/zinc/88/51/44/473885144.db2.gz PFKGAQFQCXUASX-UHFFFAOYSA-N -1 3 336.735 2.667 20 5 EFBDHM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cccc2nn[n-]c21 ZINC000188105458 473984292 /nfs/dbraw/zinc/98/42/92/473984292.db2.gz AUHGFINJFZHMAI-UHFFFAOYSA-N -1 3 339.355 2.619 20 5 EFBDHM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cccc2[n-]nnc21 ZINC000188105458 473984297 /nfs/dbraw/zinc/98/42/97/473984297.db2.gz AUHGFINJFZHMAI-UHFFFAOYSA-N -1 3 339.355 2.619 20 5 EFBDHM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cccc2n[n-]nc21 ZINC000188105458 473984304 /nfs/dbraw/zinc/98/43/04/473984304.db2.gz AUHGFINJFZHMAI-UHFFFAOYSA-N -1 3 339.355 2.619 20 5 EFBDHM Cc1ccc([C@H](C)NC(=O)/C=C/c2cncc([O-])c2)cc1[N+](=O)[O-] ZINC000182082156 474094792 /nfs/dbraw/zinc/09/47/92/474094792.db2.gz ZYMZCKRIRBAZOF-FUEXJSSKSA-N -1 3 327.340 2.894 20 5 EFBDHM Cc1cccc(N2CCN(C(=O)c3ccccc3[O-])CC2)c1[N+](=O)[O-] ZINC000275447784 474189173 /nfs/dbraw/zinc/18/91/73/474189173.db2.gz LCQINXZGZGORTF-UHFFFAOYSA-N -1 3 341.367 2.571 20 5 EFBDHM CC(C)[C@@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ncc[nH]1 ZINC000282922437 474243166 /nfs/dbraw/zinc/24/31/66/474243166.db2.gz FWWOKLKOUQJYDV-GFCCVEGCSA-N -1 3 338.314 2.923 20 5 EFBDHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)s1 ZINC000175620411 474264921 /nfs/dbraw/zinc/26/49/21/474264921.db2.gz LFJYBBXYCKHXTK-SNVBAGLBSA-N -1 3 341.414 2.708 20 5 EFBDHM COc1cc(CN[C@H]2COc3c(C)cccc3C2)c([N+](=O)[O-])cc1[O-] ZINC000289789511 474427207 /nfs/dbraw/zinc/42/72/07/474427207.db2.gz YOURUGVKNLMOME-CQSZACIVSA-N -1 3 344.367 2.711 20 5 EFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]Cc2cccs2)c1[N+](=O)[O-] ZINC000189792926 474483248 /nfs/dbraw/zinc/48/32/48/474483248.db2.gz SJTFGXQWYGBMFV-UHFFFAOYSA-N -1 3 326.399 2.752 20 5 EFBDHM Cn1ncc([N+](=O)[O-])c1[N-]C(=O)c1csc(-c2cccs2)n1 ZINC000184394020 474507759 /nfs/dbraw/zinc/50/77/59/474507759.db2.gz RKOREBODCDJPEQ-UHFFFAOYSA-N -1 3 335.370 2.766 20 5 EFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@]2(C)CCCS2)c1[N+](=O)[O-] ZINC000190071161 474544969 /nfs/dbraw/zinc/54/49/69/474544969.db2.gz GXBPCKDLVIAWGN-CQSZACIVSA-N -1 3 344.458 2.776 20 5 EFBDHM CC[C@@H](CSC)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000190110276 474548516 /nfs/dbraw/zinc/54/85/16/474548516.db2.gz DSICIHLDNGSWGU-NSHDSACASA-N -1 3 332.447 2.632 20 5 EFBDHM COC(=O)c1cc([N-]C(=O)c2coc(C3CC3)n2)c(C)c([N+](=O)[O-])c1 ZINC000617152038 480112870 /nfs/dbraw/zinc/11/28/70/480112870.db2.gz YPVWAVUROWYTJA-UHFFFAOYSA-N -1 3 345.311 2.808 20 5 EFBDHM CN(C)CCN(Cc1cccs1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184855843 474621926 /nfs/dbraw/zinc/62/19/26/474621926.db2.gz FDVRTMZUYOURDI-UHFFFAOYSA-N -1 3 349.412 2.566 20 5 EFBDHM COc1cc([N+](=O)[O-])c(C(=O)[N-]OC/C=C/Cl)cc1SC ZINC000291851907 474719657 /nfs/dbraw/zinc/71/96/57/474719657.db2.gz OEGWNFGVCXWBJJ-ONEGZZNKSA-N -1 3 332.765 2.739 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-]CC2(CC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000340875208 474740068 /nfs/dbraw/zinc/74/00/68/474740068.db2.gz AMRHVGZJGTZISB-UHFFFAOYSA-N -1 3 342.417 2.708 20 5 EFBDHM Cc1[nH]nc(C(=O)[N-]c2nc3c(s2)CCCC3(C)C)c1[N+](=O)[O-] ZINC000291956101 474771948 /nfs/dbraw/zinc/77/19/48/474771948.db2.gz QZDRDCXPRYVTRD-UHFFFAOYSA-N -1 3 335.389 2.949 20 5 EFBDHM C[C@@]1([N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CCO[C@@H]1C1CC1 ZINC000273238883 474795898 /nfs/dbraw/zinc/79/58/98/474795898.db2.gz FTDCREXEJNTATI-UKRRQHHQSA-N -1 3 340.326 2.760 20 5 EFBDHM Cc1cc(=O)[n-]c(C=Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)n1 ZINC000339115902 474940717 /nfs/dbraw/zinc/94/07/17/474940717.db2.gz HWQKRJXTMRTZCB-VMPITWQZSA-N -1 3 337.339 2.970 20 5 EFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CC2CC(F)(F)C2)c1[N+](=O)[O-] ZINC000292315310 474958165 /nfs/dbraw/zinc/95/81/65/474958165.db2.gz NMWMHHIMYZQJHM-UHFFFAOYSA-N -1 3 334.344 2.535 20 5 EFBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1cn(Cc2ccccc2)nn1 ZINC000339192456 475024381 /nfs/dbraw/zinc/02/43/81/475024381.db2.gz FSTQUVUFMMDIJR-UHFFFAOYSA-N -1 3 341.302 2.626 20 5 EFBDHM Cc1[nH]nc(C(=O)[N-]c2nc(Cc3ccccc3)cs2)c1[N+](=O)[O-] ZINC000345284946 475058821 /nfs/dbraw/zinc/05/88/21/475058821.db2.gz WZMPEPBUJUMXAX-UHFFFAOYSA-N -1 3 343.368 2.926 20 5 EFBDHM O=C(c1cc(C(F)(F)F)n[n-]1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000339282535 475116396 /nfs/dbraw/zinc/11/63/96/475116396.db2.gz UVJKKJXLEZOEJO-UHFFFAOYSA-N -1 3 326.234 2.540 20 5 EFBDHM O=C(c1cc(C(F)(F)F)[n-]n1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000339282535 475116407 /nfs/dbraw/zinc/11/64/07/475116407.db2.gz UVJKKJXLEZOEJO-UHFFFAOYSA-N -1 3 326.234 2.540 20 5 EFBDHM CN(C)CCOc1cccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)c1 ZINC000273933797 475126116 /nfs/dbraw/zinc/12/61/16/475126116.db2.gz RMZICWHCGHDUDO-UHFFFAOYSA-N -1 3 343.343 2.580 20 5 EFBDHM CC(C)c1ccc([C@H](N)CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000261995656 475141919 /nfs/dbraw/zinc/14/19/19/475141919.db2.gz NPPSHMIROWCQKO-OAHLLOKOSA-N -1 3 343.383 2.854 20 5 EFBDHM CCOc1cc(NC([O-])=NOCC2CC2)c([N+](=O)[O-])cc1OCC ZINC000292738691 475176196 /nfs/dbraw/zinc/17/61/96/475176196.db2.gz UABGQARSMRIUEM-UHFFFAOYSA-N -1 3 339.348 2.855 20 5 EFBDHM CCOc1cc(NC(=O)[N-]OCC2CC2)c([N+](=O)[O-])cc1OCC ZINC000292738691 475176202 /nfs/dbraw/zinc/17/62/02/475176202.db2.gz UABGQARSMRIUEM-UHFFFAOYSA-N -1 3 339.348 2.855 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCCSCC(C)C ZINC000339446893 475222019 /nfs/dbraw/zinc/22/20/19/475222019.db2.gz ALGAOLVQVPZBNH-UHFFFAOYSA-N -1 3 346.474 2.961 20 5 EFBDHM CNc1c(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)cccc1[N+](=O)[O-] ZINC000361325321 475357051 /nfs/dbraw/zinc/35/70/51/475357051.db2.gz RVHCMRIAIMTFLD-UHFFFAOYSA-N -1 3 342.315 2.575 20 5 EFBDHM CNc1c(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)cccc1[N+](=O)[O-] ZINC000361325321 475357057 /nfs/dbraw/zinc/35/70/57/475357057.db2.gz RVHCMRIAIMTFLD-UHFFFAOYSA-N -1 3 342.315 2.575 20 5 EFBDHM CNc1c(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cccc1[N+](=O)[O-] ZINC000361325321 475357067 /nfs/dbraw/zinc/35/70/67/475357067.db2.gz RVHCMRIAIMTFLD-UHFFFAOYSA-N -1 3 342.315 2.575 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]CCc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000337854303 475380381 /nfs/dbraw/zinc/38/03/81/475380381.db2.gz UEITZJUDAPYZQY-UHFFFAOYSA-N -1 3 338.360 2.563 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H]1CCCC[C@H]1C ZINC000354771010 475396856 /nfs/dbraw/zinc/39/68/56/475396856.db2.gz OIEDZVRITKYFNO-VXGBXAGGSA-N -1 3 342.417 2.708 20 5 EFBDHM Cc1cc(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)ccc1[O-] ZINC000348203542 475485298 /nfs/dbraw/zinc/48/52/98/475485298.db2.gz AAJRYIUNRJHEFG-UHFFFAOYSA-N -1 3 328.324 2.512 20 5 EFBDHM Cc1cccc([O-])c1NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000352648110 475489377 /nfs/dbraw/zinc/48/93/77/475489377.db2.gz RFZHKQMCXBZFSD-UHFFFAOYSA-N -1 3 344.323 2.561 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1coc2ccccc12 ZINC000358384623 475637623 /nfs/dbraw/zinc/63/76/23/475637623.db2.gz MAPCANXXKJNJDV-UHFFFAOYSA-N -1 3 332.337 2.820 20 5 EFBDHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc([N+](=O)[O-])cc1Cl ZINC000297497366 475782843 /nfs/dbraw/zinc/78/28/43/475782843.db2.gz PZJAUHRJIDGCOJ-UHFFFAOYSA-N -1 3 345.739 2.643 20 5 EFBDHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000297497366 475782848 /nfs/dbraw/zinc/78/28/48/475782848.db2.gz PZJAUHRJIDGCOJ-UHFFFAOYSA-N -1 3 345.739 2.643 20 5 EFBDHM COc1cc(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)ccc1[O-] ZINC000338329337 475793622 /nfs/dbraw/zinc/79/36/22/475793622.db2.gz HRGRVKUBHUALPI-UHFFFAOYSA-N -1 3 330.340 2.624 20 5 EFBDHM Cc1ccsc1CC[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000358596107 475795233 /nfs/dbraw/zinc/79/52/33/475795233.db2.gz DVHSGTQERJQWRO-UHFFFAOYSA-N -1 3 340.426 2.794 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)CC(F)(F)F)cc1C ZINC000362094915 475997212 /nfs/dbraw/zinc/99/72/12/475997212.db2.gz HNOWQSVRKTVHBS-SECBINFHSA-N -1 3 340.323 2.831 20 5 EFBDHM Cc1cccc(S(=O)(=O)[N-]CCc2ccccc2[N+](=O)[O-])c1F ZINC000359073973 476165348 /nfs/dbraw/zinc/16/53/48/476165348.db2.gz XANFGJUSXPRKPN-UHFFFAOYSA-N -1 3 338.360 2.563 20 5 EFBDHM O=C([N-]c1cnns1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000357056810 476194186 /nfs/dbraw/zinc/19/41/86/476194186.db2.gz XYDMYBFXUUEWRJ-UHFFFAOYSA-N -1 3 348.262 2.640 20 5 EFBDHM COc1cc(-c2nc(-c3ccc4n[n-]nc4c3)no2)ccc1[N+](=O)[O-] ZINC000350473389 476199238 /nfs/dbraw/zinc/19/92/38/476199238.db2.gz BVZVKBRMPFSTCY-UHFFFAOYSA-N -1 3 338.283 2.592 20 5 EFBDHM O=[N+]([O-])c1cc(Cl)ccc1CC[N-]S(=O)(=O)c1cccs1 ZINC000350626312 476272111 /nfs/dbraw/zinc/27/21/11/476272111.db2.gz MTNRNJXVJAVMAR-UHFFFAOYSA-N -1 3 346.817 2.831 20 5 EFBDHM CCc1cc(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)ccc1[O-] ZINC000362640817 476337134 /nfs/dbraw/zinc/33/71/34/476337134.db2.gz BWKLNVJVNIGWFE-UHFFFAOYSA-N -1 3 330.340 2.801 20 5 EFBDHM COc1ccc(NC(=O)c2c[n-]nc2-c2ccncc2)cc1[N+](=O)[O-] ZINC000360741573 476360430 /nfs/dbraw/zinc/36/04/30/476360430.db2.gz WZWRQNNQJSBJOU-UHFFFAOYSA-N -1 3 339.311 2.641 20 5 EFBDHM COc1ccc(NC(=O)c2cn[n-]c2-c2ccncc2)cc1[N+](=O)[O-] ZINC000360741573 476360434 /nfs/dbraw/zinc/36/04/34/476360434.db2.gz WZWRQNNQJSBJOU-UHFFFAOYSA-N -1 3 339.311 2.641 20 5 EFBDHM COc1cc([O-])cc(NC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)c1 ZINC000357503395 476419055 /nfs/dbraw/zinc/41/90/55/476419055.db2.gz PCPXJVNOKCWHIM-UHFFFAOYSA-N -1 3 348.311 2.579 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]CCc2ccccc2[N+](=O)[O-])c(F)c1 ZINC000360892917 476459688 /nfs/dbraw/zinc/45/96/88/476459688.db2.gz BPFNVLHSUUAHSR-UHFFFAOYSA-N -1 3 338.360 2.563 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H]3CCC[C@@H]3C2)c(F)c1 ZINC000360893365 476460146 /nfs/dbraw/zinc/46/01/46/476460146.db2.gz KPTMQCOVHFAYIY-IJLUTSLNSA-N -1 3 342.392 2.981 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCCC(F)(F)C2)c([N+](=O)[O-])c1 ZINC000362917028 476480331 /nfs/dbraw/zinc/48/03/31/476480331.db2.gz JAYSYHFQXXRLSZ-JTQLQIEISA-N -1 3 334.344 2.759 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCC(F)(F)C2)c([N+](=O)[O-])c1 ZINC000429901513 476712711 /nfs/dbraw/zinc/71/27/11/476712711.db2.gz MUELXHOJIQNQJJ-JTQLQIEISA-N -1 3 334.344 2.617 20 5 EFBDHM CC(C)c1ccc(-c2nc(-c3c([N+](=O)[O-])ncn3C)no2)c([O-])c1 ZINC000445577563 476752251 /nfs/dbraw/zinc/75/22/51/476752251.db2.gz SUDVWCFTVIPNTI-UHFFFAOYSA-N -1 3 329.316 2.874 20 5 EFBDHM C[C@H](CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000390530272 476796385 /nfs/dbraw/zinc/79/63/85/476796385.db2.gz IFMWTCWPTZLIHM-GFCCVEGCSA-N -1 3 344.371 2.620 20 5 EFBDHM CCO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000452097311 476821278 /nfs/dbraw/zinc/82/12/78/476821278.db2.gz NOHOQRUOTCVPNK-ZYHUDNBSSA-N -1 3 348.446 2.591 20 5 EFBDHM CC[C@H](C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416363270 477146592 /nfs/dbraw/zinc/14/65/92/477146592.db2.gz NJSHHKMMIBVQKG-ZETCQYMHSA-N -1 3 326.296 2.690 20 5 EFBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1cc(-c2cccc(F)c2)on1 ZINC000448536534 477185786 /nfs/dbraw/zinc/18/57/86/477185786.db2.gz CGKLXFRQRKFNJM-UHFFFAOYSA-N -1 3 342.286 2.767 20 5 EFBDHM Cc1ccc(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])nc1C ZINC000416543191 477209457 /nfs/dbraw/zinc/20/94/57/477209457.db2.gz CATWXLSCVMIBSP-UHFFFAOYSA-N -1 3 349.412 2.702 20 5 EFBDHM Cc1cccc(C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c1[O-] ZINC000436620145 477534975 /nfs/dbraw/zinc/53/49/75/477534975.db2.gz ZZFWPGBJHKLPJE-UHFFFAOYSA-N -1 3 328.324 2.644 20 5 EFBDHM Cc1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)c([O-])c1C ZINC000436637279 477540128 /nfs/dbraw/zinc/54/01/28/477540128.db2.gz VGFOSLRWWVVYBC-UHFFFAOYSA-N -1 3 329.356 2.759 20 5 EFBDHM CCOc1cc(NCCNC(=O)c2ccc([O-])cc2)ccc1[N+](=O)[O-] ZINC000436704638 477563308 /nfs/dbraw/zinc/56/33/08/477563308.db2.gz KUCPBYGJNAATHR-UHFFFAOYSA-N -1 3 345.355 2.541 20 5 EFBDHM Cc1ccc(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c([O-])c1C ZINC000436812093 477597019 /nfs/dbraw/zinc/59/70/19/477597019.db2.gz CYAIAMMLSDWERT-UHFFFAOYSA-N -1 3 344.371 2.591 20 5 EFBDHM O=C(Nc1ccnn1-c1ccccc1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000436873633 477621456 /nfs/dbraw/zinc/62/14/56/477621456.db2.gz SHBNRWXUTBVEKF-UHFFFAOYSA-N -1 3 348.322 2.909 20 5 EFBDHM O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(O)cc1[O-] ZINC000436883529 477624571 /nfs/dbraw/zinc/62/45/71/477624571.db2.gz AOOLYLBXKOEBRR-UHFFFAOYSA-N -1 3 336.731 2.632 20 5 EFBDHM O=C(c1csc(=O)[n-]1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000456151905 477801433 /nfs/dbraw/zinc/80/14/33/477801433.db2.gz VQEIWKZHUSZYAM-LLVKDONJSA-N -1 3 333.369 2.777 20 5 EFBDHM Cc1cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)nc(C(C)C)n1 ZINC000460065460 477846514 /nfs/dbraw/zinc/84/65/14/477846514.db2.gz LLLWWBDMZFGJEQ-UHFFFAOYSA-N -1 3 340.343 2.945 20 5 EFBDHM C[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000461823741 477884976 /nfs/dbraw/zinc/88/49/76/477884976.db2.gz XUWCXTCZSOXHAP-ZJUUUORDSA-N -1 3 332.809 2.963 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-][C@H](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000462311372 477899742 /nfs/dbraw/zinc/89/97/42/477899742.db2.gz QTMNCXMMHGKNNW-LLVKDONJSA-N -1 3 342.417 2.851 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000462501926 477904671 /nfs/dbraw/zinc/90/46/71/477904671.db2.gz OJBLOKIINFVWEU-HUUCEWRRSA-N -1 3 346.408 2.813 20 5 EFBDHM CCc1cc(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)ccc1[O-] ZINC000487497706 478037115 /nfs/dbraw/zinc/03/71/15/478037115.db2.gz FLBKGVWEKVYPQI-UHFFFAOYSA-N -1 3 340.339 2.669 20 5 EFBDHM COc1cccc2c1n[n-]c2C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000487559113 478048645 /nfs/dbraw/zinc/04/86/45/478048645.db2.gz MMEUEILINDTQIF-UHFFFAOYSA-N -1 3 330.275 2.871 20 5 EFBDHM COc1cccc2c(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)n[n-]c21 ZINC000487559113 478048651 /nfs/dbraw/zinc/04/86/51/478048651.db2.gz MMEUEILINDTQIF-UHFFFAOYSA-N -1 3 330.275 2.871 20 5 EFBDHM CSc1cccc(C(=O)N=c2cc3ccccn3[n-]2)c1[N+](=O)[O-] ZINC000561157797 478159101 /nfs/dbraw/zinc/15/91/01/478159101.db2.gz WAQRVFOYSZPIQS-UHFFFAOYSA-N -1 3 328.353 2.639 20 5 EFBDHM CCC1([N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])CCCC1 ZINC000451716698 478174141 /nfs/dbraw/zinc/17/41/41/478174141.db2.gz ZYOHLCCLJFATOZ-UHFFFAOYSA-N -1 3 328.390 2.605 20 5 EFBDHM CN(C)[C@H](CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000570098018 478282193 /nfs/dbraw/zinc/28/21/93/478282193.db2.gz MVCHMXPMNKHKNW-CQSZACIVSA-N -1 3 348.334 2.542 20 5 EFBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc2ccccc2c2cccnc12 ZINC000522253843 478381844 /nfs/dbraw/zinc/38/18/44/478381844.db2.gz RSVADEBHUZVJLY-CQSZACIVSA-N -1 3 346.390 2.630 20 5 EFBDHM COc1ccc(CN2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000600676843 478465731 /nfs/dbraw/zinc/46/57/31/478465731.db2.gz YWXIOISIOWDTTP-HZSPNIEDSA-N -1 3 334.372 2.679 20 5 EFBDHM COc1ccc(CN2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000600676845 478465773 /nfs/dbraw/zinc/46/57/73/478465773.db2.gz YWXIOISIOWDTTP-MELADBBJSA-N -1 3 334.372 2.679 20 5 EFBDHM CCC[C@H](OCC)C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000600816704 478532167 /nfs/dbraw/zinc/53/21/67/478532167.db2.gz JESALIMJIYGMFC-AWEZNQCLSA-N -1 3 332.360 2.551 20 5 EFBDHM CC1(C)CC(C[N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000594770914 478536858 /nfs/dbraw/zinc/53/68/58/478536858.db2.gz KDSDXAMANIPNMA-UHFFFAOYSA-N -1 3 349.412 2.858 20 5 EFBDHM CC(C)=CCC[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594777488 478538317 /nfs/dbraw/zinc/53/83/17/478538317.db2.gz BOBVMZUXTZOGEW-UHFFFAOYSA-N -1 3 335.385 2.778 20 5 EFBDHM CC(C)[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594778958 478538910 /nfs/dbraw/zinc/53/89/10/478538910.db2.gz CZXHEJORQNLFHR-AAEUAGOBSA-N -1 3 349.412 2.713 20 5 EFBDHM Cc1ccc([C@H](C)NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1[N+](=O)[O-] ZINC000582369361 478582970 /nfs/dbraw/zinc/58/29/70/478582970.db2.gz JZNWJOIXQNTXQB-JTQLQIEISA-N -1 3 342.355 2.767 20 5 EFBDHM CC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000491597145 478597111 /nfs/dbraw/zinc/59/71/11/478597111.db2.gz RPPLBFUTPHTWFL-SKDRFNHKSA-N -1 3 346.380 2.600 20 5 EFBDHM COc1cc(CNC[C@@H](O)[C@H](C)c2ccccc2)c([N+](=O)[O-])cc1[O-] ZINC000595001443 478623523 /nfs/dbraw/zinc/62/35/23/478623523.db2.gz UNXAPDLKLNTVCJ-SJKOYZFVSA-N -1 3 346.383 2.563 20 5 EFBDHM COc1cc(CNc2nc(C(F)(F)F)cs2)c([N+](=O)[O-])cc1[O-] ZINC000601063665 478637233 /nfs/dbraw/zinc/63/72/33/478637233.db2.gz GQPLKWQBWUDFNH-UHFFFAOYSA-N -1 3 349.290 2.818 20 5 EFBDHM O=C([O-])C[C@H]1CCCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000564094683 478693701 /nfs/dbraw/zinc/69/37/01/478693701.db2.gz UOEURQLKMXIUSZ-CQSZACIVSA-N -1 3 331.328 2.689 20 5 EFBDHM O=c1[nH][n-]cc1CCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000601195444 478717337 /nfs/dbraw/zinc/71/73/37/478717337.db2.gz NXMSJLAXVJAYDT-QMMMGPOBSA-N -1 3 330.266 2.538 20 5 EFBDHM O=c1[nH][n-]cc1CCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000601195443 478717699 /nfs/dbraw/zinc/71/76/99/478717699.db2.gz NXMSJLAXVJAYDT-MRVPVSSYSA-N -1 3 330.266 2.538 20 5 EFBDHM CCSC1(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000595348232 478740877 /nfs/dbraw/zinc/74/08/77/478740877.db2.gz FDAOGKWSABTOES-UHFFFAOYSA-N -1 3 344.458 2.776 20 5 EFBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]CC1=CCCC1 ZINC000595360300 478746583 /nfs/dbraw/zinc/74/65/83/478746583.db2.gz DYCQSONOINBEIL-UHFFFAOYSA-N -1 3 333.369 2.532 20 5 EFBDHM COc1ccc(CN(C)C)cc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000544507175 478838751 /nfs/dbraw/zinc/83/87/51/478838751.db2.gz GKGCIMCDISIFLT-UHFFFAOYSA-N -1 3 345.355 2.623 20 5 EFBDHM O=C([O-])[C@]1(c2ccccc2)CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000583386734 478840355 /nfs/dbraw/zinc/84/03/55/478840355.db2.gz JGSLYFIIKNVRFY-MRXNPFEDSA-N -1 3 332.381 2.885 20 5 EFBDHM COc1ccc([N-]C(=O)c2cn3cc(C)nc3s2)c([N+](=O)[O-])c1 ZINC000505362785 478865038 /nfs/dbraw/zinc/86/50/38/478865038.db2.gz SYJAYNLCQOCADV-UHFFFAOYSA-N -1 3 332.341 2.873 20 5 EFBDHM O=C([O-])c1cnccc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000572725507 478905941 /nfs/dbraw/zinc/90/59/41/478905941.db2.gz QRVIZUMZMAVCBZ-UHFFFAOYSA-N -1 3 343.339 2.736 20 5 EFBDHM CC(=O)c1cc(F)c([N-]C(=O)c2cc([N+](=O)[O-])cn2C)c(F)c1F ZINC000545892308 478966833 /nfs/dbraw/zinc/96/68/33/478966833.db2.gz NENDGKLVDDTEKN-UHFFFAOYSA-N -1 3 341.245 2.806 20 5 EFBDHM COC(=O)c1ccc(F)c([N-]C(=O)c2cc([N+](=O)[O-])ccc2OC)c1 ZINC000514943064 479095320 /nfs/dbraw/zinc/09/53/20/479095320.db2.gz KGBICTZUYULMKM-UHFFFAOYSA-N -1 3 348.286 2.781 20 5 EFBDHM COc1ccc(CCCNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1OC ZINC000596090327 479132590 /nfs/dbraw/zinc/13/25/90/479132590.db2.gz PIPACPIAFCEXKL-UHFFFAOYSA-N -1 3 333.344 2.757 20 5 EFBDHM O=c1[n-]ccc(N2CCO[C@H](c3ccccc3Cl)C2)c1[N+](=O)[O-] ZINC000596107744 479142490 /nfs/dbraw/zinc/14/24/90/479142490.db2.gz NTBYXXVNUVTOPU-ZDUSSCGKSA-N -1 3 335.747 2.927 20 5 EFBDHM CC1(C)CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000596113968 479146644 /nfs/dbraw/zinc/14/66/44/479146644.db2.gz GBFWDHGPTSBZRV-UHFFFAOYSA-N -1 3 342.399 2.796 20 5 EFBDHM O=c1[n-]ccc(N2CC[C@@H](COCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596139898 479160805 /nfs/dbraw/zinc/16/08/05/479160805.db2.gz XGJNSPNPHONWBF-CQSZACIVSA-N -1 3 329.356 2.739 20 5 EFBDHM O=c1[n-]ccc(NCCC2CCN(CC(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000596149916 479165188 /nfs/dbraw/zinc/16/51/88/479165188.db2.gz CLMFTOWFKVMSED-UHFFFAOYSA-N -1 3 348.325 2.772 20 5 EFBDHM O=c1[n-]cnc2c1CN(c1ccc(C(F)(F)F)c([N+](=O)[O-])c1)CC2 ZINC000596172272 479178824 /nfs/dbraw/zinc/17/88/24/479178824.db2.gz SRXGONSOCWGXME-UHFFFAOYSA-N -1 3 340.261 2.672 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCC(F)(F)C2)c1C ZINC000610800549 479192765 /nfs/dbraw/zinc/19/27/65/479192765.db2.gz GNNQOUOHKNPJRG-SNVBAGLBSA-N -1 3 334.344 2.678 20 5 EFBDHM CCC(CC)Nc1ccncc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000570009748 479227476 /nfs/dbraw/zinc/22/74/76/479227476.db2.gz FAADVKMDKJIPJF-UHFFFAOYSA-N -1 3 344.371 2.970 20 5 EFBDHM CC(C)[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000596298473 479244397 /nfs/dbraw/zinc/24/43/97/479244397.db2.gz YDTKBSOXLMPDQH-SNVBAGLBSA-N -1 3 325.365 2.721 20 5 EFBDHM CO[C@](C)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])COCc1ccccc1 ZINC000596426148 479289848 /nfs/dbraw/zinc/28/98/48/479289848.db2.gz NUAABJIUCFBGCZ-QGZVFWFLSA-N -1 3 347.371 2.729 20 5 EFBDHM O=[N+]([O-])c1ccc(C(F)(F)F)c(CSCCc2nnn[n-]2)c1 ZINC000603339809 479353331 /nfs/dbraw/zinc/35/33/31/479353331.db2.gz FZZMFSLMAIITOK-UHFFFAOYSA-N -1 3 333.295 2.603 20 5 EFBDHM O=[N+]([O-])c1ccc(C(F)(F)F)c(CSCCc2nn[n-]n2)c1 ZINC000603339809 479353332 /nfs/dbraw/zinc/35/33/32/479353332.db2.gz FZZMFSLMAIITOK-UHFFFAOYSA-N -1 3 333.295 2.603 20 5 EFBDHM CCS(=O)(=O)c1ccccc1[N-]C(=O)c1ccc([N+](=O)[O-])s1 ZINC000603572338 479406343 /nfs/dbraw/zinc/40/63/43/479406343.db2.gz WBPQHVREEJKHQW-UHFFFAOYSA-N -1 3 340.382 2.702 20 5 EFBDHM Cc1cc(OCCOc2cccc([N+](=O)[O-])c2)cc2occ([O-])c21 ZINC000603677743 479419595 /nfs/dbraw/zinc/41/95/95/479419595.db2.gz FQEISMXXEOFZRM-UHFFFAOYSA-N -1 3 329.308 2.936 20 5 EFBDHM O=C([O-])[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)Cc2ccccc21 ZINC000593743622 479443891 /nfs/dbraw/zinc/44/38/91/479443891.db2.gz GFVNLGYWWFUKOY-QGZVFWFLSA-N -1 3 342.351 2.658 20 5 EFBDHM CC(C)CN(CCC(=O)[O-])Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000575755364 479468505 /nfs/dbraw/zinc/46/85/05/479468505.db2.gz MGDAQEBOFQRODJ-UHFFFAOYSA-N -1 3 348.359 2.578 20 5 EFBDHM Cc1occc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000604306937 479499632 /nfs/dbraw/zinc/49/96/32/479499632.db2.gz WXKLOFZUSOIGCK-UHFFFAOYSA-N -1 3 330.749 2.628 20 5 EFBDHM CCc1cccc(C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c1[O-] ZINC000589666491 479556757 /nfs/dbraw/zinc/55/67/57/479556757.db2.gz JFGJREQTHNHJCU-UHFFFAOYSA-N -1 3 342.351 2.898 20 5 EFBDHM O=C(Nc1[nH]nc2cc([O-])ccc21)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000590557736 479659208 /nfs/dbraw/zinc/65/92/08/479659208.db2.gz HLWOINKVNTVAJG-UHFFFAOYSA-N -1 3 332.703 2.504 20 5 EFBDHM O=C([N-]c1ccc(-c2nc[nH]n2)cc1F)c1ccc([N+](=O)[O-])cc1F ZINC000619252749 479734016 /nfs/dbraw/zinc/73/40/16/479734016.db2.gz ARHYWXAPOFPPCA-UHFFFAOYSA-N -1 3 345.265 2.910 20 5 EFBDHM Cc1cc(C)c(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1CO ZINC000615893116 479779160 /nfs/dbraw/zinc/77/91/60/479779160.db2.gz KBUICQTZVCHILM-UHFFFAOYSA-N -1 3 340.339 2.833 20 5 EFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](C)c1ccccc1 ZINC000619472951 479804012 /nfs/dbraw/zinc/80/40/12/479804012.db2.gz QRPWAFXBDZTTIT-LLVKDONJSA-N -1 3 336.369 2.643 20 5 EFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CC12CCCCC2 ZINC000619494858 479811741 /nfs/dbraw/zinc/81/17/41/479811741.db2.gz QOXOPBGTNLNFQJ-CYBMUJFWSA-N -1 3 340.401 2.605 20 5 EFBDHM COc1ccc([C@H](CC(=O)[O-])NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000617339727 480171551 /nfs/dbraw/zinc/17/15/51/480171551.db2.gz JATABEXEFPKNFM-INIZCTEOSA-N -1 3 330.340 2.909 20 5 EFBDHM CCCC[C@H](COC)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000609899365 480219777 /nfs/dbraw/zinc/21/97/77/480219777.db2.gz WPVKAZVCHCZWDU-CYBMUJFWSA-N -1 3 344.433 2.695 20 5 EFBDHM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCc1ccc([O-])c(F)c1 ZINC000610011633 480228693 /nfs/dbraw/zinc/22/86/93/480228693.db2.gz JMKXNADOGAEAOI-UHFFFAOYSA-N -1 3 343.314 2.711 20 5 EFBDHM CC[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000610136591 480243320 /nfs/dbraw/zinc/24/33/20/480243320.db2.gz SDVLWDYIWJMHBT-NWDGAFQWSA-N -1 3 342.417 2.851 20 5 EFBDHM COC(=O)c1cc(C(=O)[N-]c2cnccc2SC)cc([N+](=O)[O-])c1 ZINC000610546041 480333743 /nfs/dbraw/zinc/33/37/43/480333743.db2.gz XUXKBHRNPHPAIS-UHFFFAOYSA-N -1 3 347.352 2.751 20 5 EFBDHM O=C(Nc1nc2ccccc2n1C1CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000618385401 480652442 /nfs/dbraw/zinc/65/24/42/480652442.db2.gz CGNOIAPTBFYAHF-UHFFFAOYSA-N -1 3 339.311 2.632 20 5 EFBDHM CC(C)(C)c1ccc(O)c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000186810689 519038518 /nfs/dbraw/zinc/03/85/18/519038518.db2.gz CCVZMHKFDVXECP-UHFFFAOYSA-N -1 3 331.328 2.951 20 5 EFBDHM CC(C)([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000076833415 519327035 /nfs/dbraw/zinc/32/70/35/519327035.db2.gz ORQVNSQJKPIUEN-UHFFFAOYSA-N -1 3 338.360 2.948 20 5 EFBDHM COc1cc(C(=O)[N-]c2ncccc2Cl)c([N+](=O)[O-])cc1OC ZINC000179970572 522167642 /nfs/dbraw/zinc/16/76/42/522167642.db2.gz JXQXKDKQRFZXMH-UHFFFAOYSA-N -1 3 337.719 2.913 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-][C@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000023389840 525074501 /nfs/dbraw/zinc/07/45/01/525074501.db2.gz XIYXNFINTOOISK-LLVKDONJSA-N -1 3 336.369 2.643 20 5 EFBDHM Cc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1-c1ncco1 ZINC000193728170 525253640 /nfs/dbraw/zinc/25/36/40/525253640.db2.gz UYKHUUYLNLSXIN-UHFFFAOYSA-N -1 3 340.295 2.911 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)c2cccnc2)cc1C ZINC000193806885 525557290 /nfs/dbraw/zinc/55/72/90/525557290.db2.gz SUVSHWLOQLZNOX-GFCCVEGCSA-N -1 3 335.385 2.646 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)c2cccnc2)c1C ZINC000119391027 526066189 /nfs/dbraw/zinc/06/61/89/526066189.db2.gz TUPFFVXDQMVYTJ-GFCCVEGCSA-N -1 3 335.385 2.646 20 5 EFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2cc(C(N)=O)ccc2F)c1 ZINC000192536479 526080660 /nfs/dbraw/zinc/08/06/60/526080660.db2.gz XXQVJMYLSMRNGH-UHFFFAOYSA-N -1 3 349.343 2.807 20 5 EFBDHM O=C(Cc1ccc([O-])cc1Cl)NCCNc1ccccc1[N+](=O)[O-] ZINC000136081008 527239963 /nfs/dbraw/zinc/23/99/63/527239963.db2.gz BDAKUGFBWXZKAW-UHFFFAOYSA-N -1 3 349.774 2.725 20 5 EFBDHM O=C(Nc1cccc(-c2nc[nH]n2)c1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000074143190 527313795 /nfs/dbraw/zinc/31/37/95/527313795.db2.gz QMDAQRWOHDBUQI-UHFFFAOYSA-N -1 3 349.310 2.509 20 5 EFBDHM O=C(Nc1cccc2ccc(O)cc21)c1cc([N+](=O)[O-])cnc1[O-] ZINC000180838060 527381826 /nfs/dbraw/zinc/38/18/26/527381826.db2.gz PUOJLMLIXNKFEN-UHFFFAOYSA-N -1 3 325.280 2.807 20 5 EFBDHM O=C(Nc1cccc2ccc(O)cc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000180838060 527381832 /nfs/dbraw/zinc/38/18/32/527381832.db2.gz PUOJLMLIXNKFEN-UHFFFAOYSA-N -1 3 325.280 2.807 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCc1cc2ccccc2o1 ZINC000151399618 527405143 /nfs/dbraw/zinc/40/51/43/527405143.db2.gz OSUYKSKCFYHLNY-UHFFFAOYSA-N -1 3 346.364 2.862 20 5 EFBDHM CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000360467095 535727173 /nfs/dbraw/zinc/72/71/73/535727173.db2.gz CRPZCXZMEJYGAB-YPMHNXCESA-N -1 3 344.458 2.856 20 5 EFBDHM CCc1cnccc1C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000352088654 536088911 /nfs/dbraw/zinc/08/89/11/536088911.db2.gz AUEHNZNFRSKOCZ-UHFFFAOYSA-N -1 3 349.412 2.648 20 5 EFBDHM CCc1ccc([O-])c(C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000359626049 536190749 /nfs/dbraw/zinc/19/07/49/536190749.db2.gz UVDVDBUZDJODPV-UHFFFAOYSA-N -1 3 342.351 2.898 20 5 EFBDHM COc1cc(C(=O)NCc2cccc([N+](=O)[O-])c2C)cc(OC)c1[O-] ZINC000360524345 536495610 /nfs/dbraw/zinc/49/56/10/536495610.db2.gz HDCZDGRYYUFZGX-UHFFFAOYSA-N -1 3 346.339 2.556 20 5 EFBDHM CCOc1cc(C(=O)Nc2ccccc2[O-])c([N+](=O)[O-])cc1OC ZINC000198138874 545554677 /nfs/dbraw/zinc/55/46/77/545554677.db2.gz FYJFDCHHSXSXPL-UHFFFAOYSA-N -1 3 332.312 2.960 20 5 EFBDHM COc1cc(C(=O)OCCc2ccc([N+](=O)[O-])cc2)cc(OC)c1[O-] ZINC000754275122 575414081 /nfs/dbraw/zinc/41/40/81/575414081.db2.gz GPZPKUPTYVFGOV-UHFFFAOYSA-N -1 3 347.323 2.717 20 5 EFBDHM Cc1sc(C(N)=O)cc1[N-]C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000756792058 575787197 /nfs/dbraw/zinc/78/71/97/575787197.db2.gz PGNJZKYXZSTFFX-UHFFFAOYSA-N -1 3 341.295 2.594 20 5 EFBDHM COc1cc(C(=O)OCCOc2cccc([N+](=O)[O-])c2)ccc1[O-] ZINC000757096669 575821441 /nfs/dbraw/zinc/82/14/41/575821441.db2.gz VFBRFZROCHXUDZ-UHFFFAOYSA-N -1 3 333.296 2.545 20 5 EFBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@H](C)c2ccc[nH]2)cc1[N+](=O)[O-] ZINC000760402636 576018444 /nfs/dbraw/zinc/01/84/44/576018444.db2.gz FMDPSKNRDPMCKX-SECBINFHSA-N -1 3 343.792 2.924 20 5 EFBDHM Cc1noc(C(F)(F)F)c1C(=O)[N-]c1ccc([N+](=O)[O-])c(C)n1 ZINC000762336481 576290998 /nfs/dbraw/zinc/29/09/98/576290998.db2.gz CZELJPWHABKPAQ-UHFFFAOYSA-N -1 3 330.222 2.866 20 5 EFBDHM Cc1cc(=O)[n-]c(CSCc2cc([N+](=O)[O-])cc3c2OCOC3)n1 ZINC000763207946 576367110 /nfs/dbraw/zinc/36/71/10/576367110.db2.gz FMZXQDORTLMGLS-UHFFFAOYSA-N -1 3 349.368 2.699 20 5 EFBDHM O=Cc1n[n-]c2cc(C(=O)OCc3cc(F)ccc3[N+](=O)[O-])ccc12 ZINC000766194503 577119545 /nfs/dbraw/zinc/11/95/45/577119545.db2.gz YYUNOVQUQAUYBL-UHFFFAOYSA-N -1 3 343.270 2.780 20 5 EFBDHM O=Cc1[n-]nc2cc(C(=O)OCc3cc(F)ccc3[N+](=O)[O-])ccc12 ZINC000766194503 577119547 /nfs/dbraw/zinc/11/95/47/577119547.db2.gz YYUNOVQUQAUYBL-UHFFFAOYSA-N -1 3 343.270 2.780 20 5 EFBDHM C[C@H](Cc1ccsc1)[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768815891 577305376 /nfs/dbraw/zinc/30/53/76/577305376.db2.gz XPMMXCOAALYHJO-MRVPVSSYSA-N -1 3 332.428 2.627 20 5 EFBDHM C[C@@H](Cc1ccsc1)[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768815893 577305393 /nfs/dbraw/zinc/30/53/93/577305393.db2.gz XPMMXCOAALYHJO-QMMMGPOBSA-N -1 3 332.428 2.627 20 5 EFBDHM CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768836115 577307735 /nfs/dbraw/zinc/30/77/35/577307735.db2.gz RQGDBFIPELXEPP-GFCCVEGCSA-N -1 3 340.426 2.956 20 5 EFBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2Cc2ccccc2)cs1 ZINC000768842565 577308255 /nfs/dbraw/zinc/30/82/55/577308255.db2.gz NLTWVZFVINTXOL-DGCLKSJQSA-N -1 3 338.410 2.566 20 5 EFBDHM Cc1cccc(C)c1CC[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768862686 577311488 /nfs/dbraw/zinc/31/14/88/577311488.db2.gz NMBYBTIEBJIUAI-UHFFFAOYSA-N -1 3 340.426 2.794 20 5 EFBDHM O=C(OCC1CCN(Cc2ccco2)CC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000772688722 581356003 /nfs/dbraw/zinc/35/60/03/581356003.db2.gz FPJWHZASOPUNHK-UHFFFAOYSA-N -1 3 333.344 2.585 20 5 EFBDHM O=C(Oc1ccc2cncnc2c1)c1[n-]nc2ccc([N+](=O)[O-])cc21 ZINC000772808465 581370404 /nfs/dbraw/zinc/37/04/04/581370404.db2.gz CNLWBBRJHFSHDN-UHFFFAOYSA-N -1 3 335.279 2.634 20 5 EFBDHM O=C(Oc1ccc2cncnc2c1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000772808465 581370408 /nfs/dbraw/zinc/37/04/08/581370408.db2.gz CNLWBBRJHFSHDN-UHFFFAOYSA-N -1 3 335.279 2.634 20 5 EFBDHM O=[N+]([O-])c1ccc(CCCCNc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738359830 598854883 /nfs/dbraw/zinc/85/48/83/598854883.db2.gz OCLGHGULWLUZLG-UHFFFAOYSA-N -1 3 339.359 2.605 20 5 EFBDHM O=[N+]([O-])c1ccc(CCCCNc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738359830 598854884 /nfs/dbraw/zinc/85/48/84/598854884.db2.gz OCLGHGULWLUZLG-UHFFFAOYSA-N -1 3 339.359 2.605 20 5 EFBDHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])Oc1ccccc1 ZINC000736026515 598869500 /nfs/dbraw/zinc/86/95/00/598869500.db2.gz PCHPUKFNUZDOON-NSHDSACASA-N -1 3 340.343 2.654 20 5 EFBDHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])Oc1ccccc1 ZINC000736026515 598869502 /nfs/dbraw/zinc/86/95/02/598869502.db2.gz PCHPUKFNUZDOON-NSHDSACASA-N -1 3 340.343 2.654 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(Oc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000737367882 598936156 /nfs/dbraw/zinc/93/61/56/598936156.db2.gz BYMSEXRYDHXIRL-UHFFFAOYSA-N -1 3 332.707 2.924 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(Oc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000737367882 598936157 /nfs/dbraw/zinc/93/61/57/598936157.db2.gz BYMSEXRYDHXIRL-UHFFFAOYSA-N -1 3 332.707 2.924 20 5 EFBDHM C[C@H](OC(=O)c1sccc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000736164882 599026541 /nfs/dbraw/zinc/02/65/41/599026541.db2.gz QLZDXZGLWFPAPD-QMMMGPOBSA-N -1 3 345.340 2.754 20 5 EFBDHM O=[N+]([O-])c1cc(F)ccc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823635505 599071482 /nfs/dbraw/zinc/07/14/82/599071482.db2.gz YSTVVQDMJWXGQR-UHFFFAOYSA-N -1 3 332.270 2.665 20 5 EFBDHM O=[N+]([O-])c1cc(F)ccc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823635505 599071485 /nfs/dbraw/zinc/07/14/85/599071485.db2.gz YSTVVQDMJWXGQR-UHFFFAOYSA-N -1 3 332.270 2.665 20 5 EFBDHM Cc1cnc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])c1 ZINC000822394855 599105358 /nfs/dbraw/zinc/10/53/58/599105358.db2.gz KHMIYSNIEBCFIT-SNVBAGLBSA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1cnc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000822394855 599105359 /nfs/dbraw/zinc/10/53/59/599105359.db2.gz KHMIYSNIEBCFIT-SNVBAGLBSA-N -1 3 325.332 2.651 20 5 EFBDHM CCC[C@@]1(C)CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821028718 599110609 /nfs/dbraw/zinc/11/06/09/599110609.db2.gz YIZLRZVHTZKNNQ-HNNXBMFYSA-N -1 3 331.380 2.577 20 5 EFBDHM CCC[C@@]1(C)CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821028718 599110611 /nfs/dbraw/zinc/11/06/11/599110611.db2.gz YIZLRZVHTZKNNQ-HNNXBMFYSA-N -1 3 331.380 2.577 20 5 EFBDHM Cc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1[N+](=O)[O-] ZINC000822227889 607268488 /nfs/dbraw/zinc/26/84/88/607268488.db2.gz ZMEHYSNPZIEFLS-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM Cc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1[N+](=O)[O-] ZINC000822227889 607268489 /nfs/dbraw/zinc/26/84/89/607268489.db2.gz ZMEHYSNPZIEFLS-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM O=C([O-])C[C@@H]1CCCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000819385211 597048001 /nfs/dbraw/zinc/04/80/01/597048001.db2.gz GDVFYZFKSCQOLQ-ZDUSSCGKSA-N -1 3 344.371 2.603 20 5 EFBDHM CCC[C@@H](C)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736422502 599264447 /nfs/dbraw/zinc/26/44/47/599264447.db2.gz IMXDYPAHEPNRLV-SECBINFHSA-N -1 3 327.348 2.924 20 5 EFBDHM CCC[C@@H](C)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736422502 599264450 /nfs/dbraw/zinc/26/44/50/599264450.db2.gz IMXDYPAHEPNRLV-SECBINFHSA-N -1 3 327.348 2.924 20 5 EFBDHM O=[N+]([O-])c1cc(F)ccc1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000738361169 598310730 /nfs/dbraw/zinc/31/07/30/598310730.db2.gz VTUPWHBOKFZVOR-UHFFFAOYSA-N -1 3 332.270 2.665 20 5 EFBDHM O=[N+]([O-])c1cc(F)ccc1NCc1ccc(-c2nn[n-]n2)cc1F ZINC000738361169 598310732 /nfs/dbraw/zinc/31/07/32/598310732.db2.gz VTUPWHBOKFZVOR-UHFFFAOYSA-N -1 3 332.270 2.665 20 5 EFBDHM Cc1csc([C@@H](C)Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])n1 ZINC000737455806 598521456 /nfs/dbraw/zinc/52/14/56/598521456.db2.gz XLWQDNKXUPTKHM-MRVPVSSYSA-N -1 3 331.361 2.713 20 5 EFBDHM Cc1csc([C@@H](C)Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC000737455806 598521459 /nfs/dbraw/zinc/52/14/59/598521459.db2.gz XLWQDNKXUPTKHM-MRVPVSSYSA-N -1 3 331.361 2.713 20 5 EFBDHM C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1Cc1ccccc1-c1nnn[n-]1 ZINC000736297357 598601853 /nfs/dbraw/zinc/60/18/53/598601853.db2.gz LBTBWKBFPUEZLC-NSHDSACASA-N -1 3 336.355 2.726 20 5 EFBDHM C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1Cc1ccccc1-c1nn[n-]n1 ZINC000736297357 598601855 /nfs/dbraw/zinc/60/18/55/598601855.db2.gz LBTBWKBFPUEZLC-NSHDSACASA-N -1 3 336.355 2.726 20 5 EFBDHM C[C@@H]1C[C@H](Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CN1C1CC1 ZINC000828184088 601562231 /nfs/dbraw/zinc/56/22/31/601562231.db2.gz NSCZJSUAHCVKDD-DBDYLLFXSA-N -1 3 331.372 2.730 20 5 EFBDHM CCC(CC)(CC(=O)[O-])NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000828804922 601634811 /nfs/dbraw/zinc/63/48/11/601634811.db2.gz XBKXEZMUMCAUBC-UHFFFAOYSA-N -1 3 348.359 2.768 20 5 EFBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)[C@@H]1CC=CCC1 ZINC000826450583 607523311 /nfs/dbraw/zinc/52/33/11/607523311.db2.gz SGXPBLMVGKLVLW-MRVPVSSYSA-N -1 3 348.750 2.723 20 5 EFBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)[C@@H]1CC=CCC1 ZINC000826450583 607523314 /nfs/dbraw/zinc/52/33/14/607523314.db2.gz SGXPBLMVGKLVLW-MRVPVSSYSA-N -1 3 348.750 2.723 20 5 EFBDHM COc1cc(CNC(C)(C)CC(=O)[O-])c([N+](=O)[O-])cc1OC(F)F ZINC000832000131 602259266 /nfs/dbraw/zinc/25/92/66/602259266.db2.gz JVLKYJQYJURAOX-UHFFFAOYSA-N -1 3 348.302 2.548 20 5 EFBDHM Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1[N+](=O)[O-] ZINC000826250399 607644407 /nfs/dbraw/zinc/64/44/07/607644407.db2.gz ZCNVMWQIEZVVCW-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1[N+](=O)[O-] ZINC000826250399 607644409 /nfs/dbraw/zinc/64/44/09/607644409.db2.gz ZCNVMWQIEZVVCW-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM CCc1ccc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000821476250 606100214 /nfs/dbraw/zinc/10/02/14/606100214.db2.gz JZMZRUJMUFTOKS-UHFFFAOYSA-N -1 3 339.311 2.557 20 5 EFBDHM CCc1ccc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000821476250 606100217 /nfs/dbraw/zinc/10/02/17/606100217.db2.gz JZMZRUJMUFTOKS-UHFFFAOYSA-N -1 3 339.311 2.557 20 5 EFBDHM CCc1ccc(C(=O)Nc2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821476076 606100722 /nfs/dbraw/zinc/10/07/22/606100722.db2.gz GIWQUNCCPPTVHT-UHFFFAOYSA-N -1 3 338.327 2.590 20 5 EFBDHM CCc1ccc(C(=O)Nc2ccccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821476076 606100726 /nfs/dbraw/zinc/10/07/26/606100726.db2.gz GIWQUNCCPPTVHT-UHFFFAOYSA-N -1 3 338.327 2.590 20 5 EFBDHM C[C@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccccc1[N+](=O)[O-] ZINC000820507600 606462918 /nfs/dbraw/zinc/46/29/18/606462918.db2.gz IMKRQTVNIUVSTJ-QMMMGPOBSA-N -1 3 345.340 2.754 20 5 EFBDHM C[C@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccccc1[N+](=O)[O-] ZINC000820507600 606462921 /nfs/dbraw/zinc/46/29/21/606462921.db2.gz IMKRQTVNIUVSTJ-QMMMGPOBSA-N -1 3 345.340 2.754 20 5 EFBDHM COCCC1(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCCC1 ZINC000821687314 606721690 /nfs/dbraw/zinc/72/16/90/606721690.db2.gz YJXRLRAGBCVWSC-UHFFFAOYSA-N -1 3 346.391 2.784 20 5 EFBDHM COCCC1(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCCC1 ZINC000821687314 606721692 /nfs/dbraw/zinc/72/16/92/606721692.db2.gz YJXRLRAGBCVWSC-UHFFFAOYSA-N -1 3 346.391 2.784 20 5 EFBDHM CC(C)(C)OC1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000819946411 607043762 /nfs/dbraw/zinc/04/37/62/607043762.db2.gz IVJGUGQJLQHFRK-UHFFFAOYSA-N -1 3 346.391 2.559 20 5 EFBDHM CC(C)(C)OC1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000819946411 607043763 /nfs/dbraw/zinc/04/37/63/607043763.db2.gz IVJGUGQJLQHFRK-UHFFFAOYSA-N -1 3 346.391 2.559 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@H]2CCOC3(CCCC3)C2)c(-c2nnn[n-]2)c1 ZINC000823639884 607130563 /nfs/dbraw/zinc/13/05/63/607130563.db2.gz KKWHGNIEKDFLQR-NSHDSACASA-N -1 3 344.375 2.679 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@H]2CCOC3(CCCC3)C2)c(-c2nn[n-]n2)c1 ZINC000823639884 607130565 /nfs/dbraw/zinc/13/05/65/607130565.db2.gz KKWHGNIEKDFLQR-NSHDSACASA-N -1 3 344.375 2.679 20 5 EFBDHM CC(C)C[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO1 ZINC000824243209 609170557 /nfs/dbraw/zinc/17/05/57/609170557.db2.gz FCPQQHNCFBFBJQ-OLZOCXBDSA-N -1 3 346.391 2.781 20 5 EFBDHM CC(C)C[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCO1 ZINC000824243209 609170558 /nfs/dbraw/zinc/17/05/58/609170558.db2.gz FCPQQHNCFBFBJQ-OLZOCXBDSA-N -1 3 346.391 2.781 20 5 EFBDHM Cc1ccnc(NCc2cc([N+](=O)[O-])ccc2Cl)c1-c1nnn[n-]1 ZINC000826314382 609575074 /nfs/dbraw/zinc/57/50/74/609575074.db2.gz UBWKSBIPXQIROT-UHFFFAOYSA-N -1 3 345.750 2.744 20 5 EFBDHM Cc1ccnc(NCc2cc([N+](=O)[O-])ccc2Cl)c1-c1nn[n-]n1 ZINC000826314382 609575075 /nfs/dbraw/zinc/57/50/75/609575075.db2.gz UBWKSBIPXQIROT-UHFFFAOYSA-N -1 3 345.750 2.744 20 5 EFBDHM CS[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C(C)(C)C ZINC000826225527 609590529 /nfs/dbraw/zinc/59/05/29/609590529.db2.gz DMSKKUXWPJBZME-GFCCVEGCSA-N -1 3 336.421 2.965 20 5 EFBDHM CS[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C(C)(C)C ZINC000826225527 609590533 /nfs/dbraw/zinc/59/05/33/609590533.db2.gz DMSKKUXWPJBZME-GFCCVEGCSA-N -1 3 336.421 2.965 20 5 EFBDHM CC1(C(=O)NC/C=C\CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCCC1 ZINC001107490605 1255988038 /nfs/dbraw/zinc/98/80/38/1255988038.db2.gz LNKBQXFPRWVQJF-WAYWQWQTSA-N -1 3 348.403 2.750 20 5 EFBDHM Cc1cc(S(=O)(=O)[N-]c2ccccc2F)cc([N+](=O)[O-])c1F ZINC000154229400 1266084549 /nfs/dbraw/zinc/08/45/49/1266084549.db2.gz BLUJVFLYFQSONF-UHFFFAOYSA-N -1 3 328.296 2.982 20 5 EFBDHM CC/C=C(/C)C(=O)NCCC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001089914460 1257754733 /nfs/dbraw/zinc/75/47/33/1257754733.db2.gz AVAYTKSQXCBKPQ-QCDXTXTGSA-N -1 3 348.403 2.750 20 5 EFBDHM O=C(CC1CCC1)NCCC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001089920080 1257961007 /nfs/dbraw/zinc/96/10/07/1257961007.db2.gz MFOGKBSGMGTELX-UHFFFAOYSA-N -1 3 348.403 2.584 20 5 EFBDHM O=C(NCCNc1cc(Cl)ccc1[N+](=O)[O-])c1ccc([O-])cc1 ZINC000791408767 1278092293 /nfs/dbraw/zinc/09/22/93/1278092293.db2.gz XWEFUHGBJDRSTJ-UHFFFAOYSA-N -1 3 335.747 2.796 20 5 EFBDHM CC1(CC(=O)NCCC2(CNc3cc[n-]c(=O)c3[N+](=O)[O-])CC2)CC1 ZINC001089971817 1262597869 /nfs/dbraw/zinc/59/78/69/1262597869.db2.gz PXPKFXPRFAUCJD-UHFFFAOYSA-N -1 3 348.403 2.584 20 5 EFBDHM O=c1[n-]c(SCc2ccc(Cl)c([N+](=O)[O-])c2)nc2[nH]ncc21 ZINC000131832144 1263195290 /nfs/dbraw/zinc/19/52/90/1263195290.db2.gz DBWCMPRWTTXWQN-UHFFFAOYSA-N -1 3 337.748 2.500 20 5 EFBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccnc1Cl ZINC000030529816 1268207513 /nfs/dbraw/zinc/20/75/13/1268207513.db2.gz PDLAKQDGDQWZSQ-UHFFFAOYSA-N -1 3 327.749 2.752 20 5 EFBDHM O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc2occc2[n-]1 ZINC000792200193 1278639659 /nfs/dbraw/zinc/63/96/59/1278639659.db2.gz GHBFDNQQJUDDCG-UHFFFAOYSA-N -1 3 331.240 2.934 20 5 EFBDHM CN(CCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)/C=C\C(C)(C)C ZINC001109396130 1274232466 /nfs/dbraw/zinc/23/24/66/1274232466.db2.gz PTUPZOCTJNWGPQ-VURMDHGXSA-N -1 3 336.392 2.558 20 5 EFBDHM CC(C(=O)N(C)CCCNc1cc[n-]c(=O)c1[N+](=O)[O-])=C1CCCC1 ZINC001109403030 1274246226 /nfs/dbraw/zinc/24/62/26/1274246226.db2.gz MHXYJBHLSQWMBN-UHFFFAOYSA-N -1 3 348.403 2.846 20 5 EFBDHM CN(CCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)CCC(C)(C)C ZINC001109497199 1274343324 /nfs/dbraw/zinc/34/33/24/1274343324.db2.gz KPWYNYTUHXWYIE-UHFFFAOYSA-N -1 3 338.408 2.782 20 5 EFBDHM O=C(CCC1CCCC1)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001110051788 1275058183 /nfs/dbraw/zinc/05/81/83/1275058183.db2.gz ZHJXUMHCUPZDJV-UHFFFAOYSA-N -1 3 348.403 2.727 20 5 EFBDHM C[C@@H](OC(=O)c1cc2occc2[n-]1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000786034961 1275283075 /nfs/dbraw/zinc/28/30/75/1275283075.db2.gz YRPAKDRSZNLIKS-SECBINFHSA-N -1 3 343.295 2.853 20 5 EFBDHM O=[N+]([O-])c1cc([N-]S(=O)(=O)CCc2cccs2)ccc1F ZINC000790005306 1277164562 /nfs/dbraw/zinc/16/45/62/1277164562.db2.gz OJBAUOAXVKJVSD-UHFFFAOYSA-N -1 3 330.362 2.780 20 5 EFBDHM CC(C)CC(=O)N(C)CC(C)(C)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001113395228 1277739776 /nfs/dbraw/zinc/73/97/76/1277739776.db2.gz FJCNMXSVDKRXGM-UHFFFAOYSA-N -1 3 338.408 2.638 20 5 EFBDHM CN(C)c1cc(F)c(C(=O)Nc2cc(F)ccc2[O-])cc1[N+](=O)[O-] ZINC000791221848 1277989733 /nfs/dbraw/zinc/98/97/33/1277989733.db2.gz BBPACPYPJWHUNR-UHFFFAOYSA-N -1 3 337.282 2.897 20 5 EFBDHM CC(C)=CC(=O)NC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCCC1 ZINC001114141616 1279777645 /nfs/dbraw/zinc/77/76/45/1279777645.db2.gz SQNKNRLMHTTXSS-UHFFFAOYSA-N -1 3 348.403 2.893 20 5 EFBDHM CC(C)(C)/C=C/C(=O)NC[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001091445787 1280728733 /nfs/dbraw/zinc/72/87/33/1280728733.db2.gz XXCURGQCHRDRNZ-JBAITWMGSA-N -1 3 348.403 2.604 20 5 EFBDHM CC(=O)c1ccc([N+](=O)[O-])cc1NCc1nc(C(F)(F)F)n[n-]1 ZINC000808023794 1281502951 /nfs/dbraw/zinc/50/29/51/1281502951.db2.gz YSBSCJOAXJFLRY-UHFFFAOYSA-N -1 3 329.238 2.546 20 5 EFBDHM CC(C)(C)CC(C)(C)C(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093662736 1284352885 /nfs/dbraw/zinc/35/28/85/1284352885.db2.gz FXTMCZQBSVIVKP-UHFFFAOYSA-N -1 3 338.408 2.686 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)cn1 ZINC000811832300 1284662165 /nfs/dbraw/zinc/66/21/65/1284662165.db2.gz PMNMHDIORNFRDB-UHFFFAOYSA-N -1 3 327.749 2.752 20 5 EFBDHM Cc1cc(NCCCNC(=O)c2ccccc2[O-])ccc1[N+](=O)[O-] ZINC001094338040 1284943418 /nfs/dbraw/zinc/94/34/18/1284943418.db2.gz AHLIQFSUNQZGTP-UHFFFAOYSA-N -1 3 329.356 2.841 20 5 EFBDHM O=C(NCCCCCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C1=CCCC1 ZINC001094942124 1286260098 /nfs/dbraw/zinc/26/00/98/1286260098.db2.gz DOQYBVRURITTCJ-UHFFFAOYSA-N -1 3 348.403 2.894 20 5 EFBDHM COC(=O)c1cc(C(=O)OCc2ccc(Cl)c([N+](=O)[O-])c2)c[n-]1 ZINC000814528926 1286744879 /nfs/dbraw/zinc/74/48/79/1286744879.db2.gz KPNCINNEZAITPG-UHFFFAOYSA-N -1 3 338.703 2.720 20 5 EFBDHM CCOC(Cc1c(=O)[n-]cnc1Nc1ccc([N+](=O)[O-])cc1)OCC ZINC001174477524 1287030720 /nfs/dbraw/zinc/03/07/20/1287030720.db2.gz RYZFRXGKMHOVOT-UHFFFAOYSA-N -1 3 348.359 2.776 20 5 EFBDHM CC(C)(C)CCC(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001110204248 1288392675 /nfs/dbraw/zinc/39/26/75/1288392675.db2.gz KJLVNGFFEFJKKG-UHFFFAOYSA-N -1 3 336.392 2.582 20 5 EFBDHM CC(C)CC1(C(=O)NCC2(Nc3cc[n-]c(=O)c3[N+](=O)[O-])CC2)CC1 ZINC001110249558 1290039827 /nfs/dbraw/zinc/03/98/27/1290039827.db2.gz XMOWEJMNOLKBSO-UHFFFAOYSA-N -1 3 348.403 2.582 20 5 EFBDHM CCCCC1(C(=O)NCC2(Nc3cc[n-]c(=O)c3[N+](=O)[O-])CC2)CC1 ZINC001110326569 1290301931 /nfs/dbraw/zinc/30/19/31/1290301931.db2.gz ZONAEDAXCYBQLX-UHFFFAOYSA-N -1 3 348.403 2.727 20 5 EFBDHM CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1c([O-])cccc1O ZINC000125636495 1290685088 /nfs/dbraw/zinc/68/50/88/1290685088.db2.gz RFRAIDFESGHMSH-UHFFFAOYSA-N -1 3 336.731 2.932 20 5 EFBDHM COc1cc(-c2noc(-c3cc([N+](=O)[O-])c[n-]c3=O)n2)ccc1F ZINC001212935689 1290902189 /nfs/dbraw/zinc/90/21/89/1290902189.db2.gz HPWBULQXFBPSMJ-UHFFFAOYSA-N -1 3 332.247 2.560 20 5 EFBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nc(-c2cccc3cnccc32)no1 ZINC001212935985 1290902810 /nfs/dbraw/zinc/90/28/10/1290902810.db2.gz YJIUITDIJYJLKP-UHFFFAOYSA-N -1 3 335.279 2.961 20 5 EFBDHM COCc1cccc(-c2noc(-c3cc([N+](=O)[O-])c[n-]c3=O)n2)c1 ZINC001212937222 1290904407 /nfs/dbraw/zinc/90/44/07/1290904407.db2.gz UJGSXGGMWAXYQB-UHFFFAOYSA-N -1 3 328.284 2.559 20 5 EFBDHM Cc1noc2ccc(-c3noc(-c4cc([N+](=O)[O-])c[n-]c4=O)n3)cc12 ZINC001212937206 1290904975 /nfs/dbraw/zinc/90/49/75/1290904975.db2.gz STYVCCUXAUJHJL-UHFFFAOYSA-N -1 3 339.267 2.862 20 5 EFBDHM CC(C)(CCC(=O)NCc1ccc([O-])c(Br)c1)[N+](=O)[O-] ZINC000827042345 1291479978 /nfs/dbraw/zinc/47/99/78/1291479978.db2.gz QINBFZXHEYTQOI-UHFFFAOYSA-N -1 3 345.193 2.606 20 5 EFBDHM COc1ccc(C(=O)[O-])cc1CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000903596209 1312916667 /nfs/dbraw/zinc/91/66/67/1312916667.db2.gz OHYLROMBAUQOME-UHFFFAOYSA-N -1 3 344.367 2.976 20 5 EFBDHM COC[C@@H](C)OC[C@@H](C)Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233505771 1312947075 /nfs/dbraw/zinc/94/70/75/1312947075.db2.gz GFWVNYGGWUNNED-RKDXNWHRSA-N -1 3 343.767 2.943 20 5 EFBDHM COC(=O)c1sc2nccnc2c1[N-]c1ccc([N+](=O)[O-])nc1 ZINC001203567140 1312958255 /nfs/dbraw/zinc/95/82/55/1312958255.db2.gz XZJCPSXBUMYFFV-UHFFFAOYSA-N -1 3 331.313 2.525 20 5 EFBDHM O=C(OCc1cc([N+](=O)[O-])ccc1Cl)c1cccc2nn[n-]c21 ZINC000800206247 1293958017 /nfs/dbraw/zinc/95/80/17/1293958017.db2.gz AHGGEBRWIJJTPG-UHFFFAOYSA-N -1 3 332.703 2.877 20 5 EFBDHM O=C(OCc1cc([N+](=O)[O-])ccc1Cl)c1cccc2[n-]nnc21 ZINC000800206247 1293958023 /nfs/dbraw/zinc/95/80/23/1293958023.db2.gz AHGGEBRWIJJTPG-UHFFFAOYSA-N -1 3 332.703 2.877 20 5 EFBDHM O=C(OCc1cc([N+](=O)[O-])ccc1Cl)c1cccc2n[n-]nc21 ZINC000800206247 1293958027 /nfs/dbraw/zinc/95/80/27/1293958027.db2.gz AHGGEBRWIJJTPG-UHFFFAOYSA-N -1 3 332.703 2.877 20 5 EFBDHM O=c1[nH][n-]cc1CCCNc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC000884557144 1294176527 /nfs/dbraw/zinc/17/65/27/1294176527.db2.gz IHNMOCFHYSIKLA-QMMMGPOBSA-N -1 3 330.266 2.538 20 5 EFBDHM CN(CCCNC(=O)c1ccccc1[O-])Cc1csc([N+](=O)[O-])c1 ZINC001234099172 1313057480 /nfs/dbraw/zinc/05/74/80/1313057480.db2.gz BDCOGTIQWBSJSU-UHFFFAOYSA-N -1 3 349.412 2.614 20 5 EFBDHM Cc1ncc(Cl)cc1-c1noc(-c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC001212844423 1295538777 /nfs/dbraw/zinc/53/87/77/1295538777.db2.gz SPMRHXZLHTZEMF-UHFFFAOYSA-N -1 3 333.691 2.769 20 5 EFBDHM COC(=O)c1cc(O)c(OC)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201222439 1296670368 /nfs/dbraw/zinc/67/03/68/1296670368.db2.gz LPEVWRCHPDUPIT-UHFFFAOYSA-N -1 3 334.284 2.545 20 5 EFBDHM COC(=O)c1c(F)ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1OC ZINC001201225017 1296670938 /nfs/dbraw/zinc/67/09/38/1296670938.db2.gz YVNWMMMCWJITDA-UHFFFAOYSA-N -1 3 336.275 2.978 20 5 EFBDHM CCCOC(=O)c1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000776424895 1298538632 /nfs/dbraw/zinc/53/86/32/1298538632.db2.gz HDRSZWNQFQFADK-UHFFFAOYSA-N -1 3 345.311 2.515 20 5 EFBDHM CCN(CCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000853158133 1300028081 /nfs/dbraw/zinc/02/80/81/1300028081.db2.gz QTYXAXDDZOPIPM-UHFFFAOYSA-N -1 3 340.380 2.754 20 5 EFBDHM O=c1[n-]ccc(N2CCC([C@H](O)c3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000853300242 1300080425 /nfs/dbraw/zinc/08/04/25/1300080425.db2.gz GRNUUVWJTSWZKL-MRXNPFEDSA-N -1 3 347.346 2.785 20 5 EFBDHM Cc1ccc(NCCCNc2cc[n-]c(=O)c2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000853363261 1300095893 /nfs/dbraw/zinc/09/58/93/1300095893.db2.gz OWQWJIKCVOWFCG-UHFFFAOYSA-N -1 3 347.331 2.826 20 5 EFBDHM C[C@@H](CC(=O)OCc1ccccc1)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000853458894 1300123296 /nfs/dbraw/zinc/12/32/96/1300123296.db2.gz WIRHSVFOYXMMLB-NSHDSACASA-N -1 3 331.328 2.629 20 5 EFBDHM C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000853707519 1300239614 /nfs/dbraw/zinc/23/96/14/1300239614.db2.gz KVZJYSBRGOZQAM-ZJUUUORDSA-N -1 3 340.380 2.799 20 5 EFBDHM CCCC(=O)N1CCC(CC)(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001066814147 1301475573 /nfs/dbraw/zinc/47/55/73/1301475573.db2.gz PKHFJEKVGDHVMA-UHFFFAOYSA-N -1 3 336.392 2.679 20 5 EFBDHM CC(C)CCCC(=O)N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001097104872 1313854577 /nfs/dbraw/zinc/85/45/77/1313854577.db2.gz IQAYGEUTLGKFFM-HAQNSBGRSA-N -1 3 336.392 2.581 20 5 EFBDHM CC(C)=C(C)CC(=O)N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001097241199 1313925916 /nfs/dbraw/zinc/92/59/16/1313925916.db2.gz KCVKIVITWGYWFH-TXEJJXNPSA-N -1 3 334.376 2.501 20 5 EFBDHM CCc1noc(C)c1[N-]C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000121081682 1303663985 /nfs/dbraw/zinc/66/39/85/1303663985.db2.gz FVSNHNXSYLAQRB-UHFFFAOYSA-N -1 3 334.288 2.923 20 5 EFBDHM CC(C)CCCC(=O)N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001097253726 1313930751 /nfs/dbraw/zinc/93/07/51/1313930751.db2.gz IQAYGEUTLGKFFM-TXEJJXNPSA-N -1 3 336.392 2.581 20 5 EFBDHM O=c1[n-]c(SCc2ccc(Cl)cc2[N+](=O)[O-])nc2[nH]ncc21 ZINC000116267356 1314163467 /nfs/dbraw/zinc/16/34/67/1314163467.db2.gz CZNRQHLIZJRABU-UHFFFAOYSA-N -1 3 337.748 2.500 20 5 EFBDHM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cc(F)cc3n[n-]nc31)CC2 ZINC000800530069 1308058534 /nfs/dbraw/zinc/05/85/34/1308058534.db2.gz UNWUCVCVNJMTKX-UHFFFAOYSA-N -1 3 341.302 2.517 20 5 EFBDHM O=C(NC[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1)C1CCCCC1 ZINC001046698786 1309127906 /nfs/dbraw/zinc/12/79/06/1309127906.db2.gz GNKMAEQOEGNWCE-AULYBMBSSA-N -1 3 348.403 2.582 20 5 EFBDHM CN1CCN(c2ccc(Nc3ccc([O-])c([N+](=O)[O-])c3)cc2)CC1 ZINC001210395003 1314325639 /nfs/dbraw/zinc/32/56/39/1314325639.db2.gz MLUKMTOPOHAGEO-UHFFFAOYSA-N -1 3 328.372 2.796 20 5 EFBDHM CN1CCN(Cc2cccc(Nc3ccc([O-])c([N+](=O)[O-])c3)c2)CC1 ZINC001210398699 1314326922 /nfs/dbraw/zinc/32/69/22/1314326922.db2.gz OCUFYGCPJUXCRP-UHFFFAOYSA-N -1 3 342.399 2.791 20 5 EFBDHM C[C@@H](NCc1c(Br)cccc1[N+](=O)[O-])[C@@H](C)C(=O)[O-] ZINC000901447868 1310496462 /nfs/dbraw/zinc/49/64/62/1310496462.db2.gz ZQGHTNVMLQLJPH-HTQZYQBOSA-N -1 3 331.166 2.556 20 5 EFBDHM CCCCOC[C@H](C)OC[C@@H](C)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225664103 1311562214 /nfs/dbraw/zinc/56/22/14/1311562214.db2.gz JQFHQTZWKUQNQD-NWDGAFQWSA-N -1 3 328.365 2.685 20 5 EFBDHM Cc1cnc(=S)[n-]c1O[C@@H](C)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001225743288 1311571424 /nfs/dbraw/zinc/57/14/24/1311571424.db2.gz VGYDYERKYZCRPC-QMMMGPOBSA-N -1 3 335.341 2.851 20 5 EFBDHM COC(=O)[C@@H](Cc1ccc(F)cc1)Oc1c([O-])cccc1[N+](=O)[O-] ZINC001226334939 1311650587 /nfs/dbraw/zinc/65/05/87/1311650587.db2.gz BUJAQWZBGUFDRI-CQSZACIVSA-N -1 3 335.287 2.603 20 5 EFBDHM CC(C)(C)OC(=O)N1CC=C[C@H](Oc2c([O-])cccc2[N+](=O)[O-])C1 ZINC001226334136 1311650658 /nfs/dbraw/zinc/65/06/58/1311650658.db2.gz ROYQVNHAILUIFL-NSHDSACASA-N -1 3 336.344 2.855 20 5 EFBDHM CC(C)(C)OC(=O)N1CC=C[C@@H](Oc2c([O-])cccc2[N+](=O)[O-])C1 ZINC001226334133 1311650904 /nfs/dbraw/zinc/65/09/04/1311650904.db2.gz ROYQVNHAILUIFL-LLVKDONJSA-N -1 3 336.344 2.855 20 5 EFBDHM CCc1nc(OC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc(=O)[n-]1 ZINC001226471223 1311673700 /nfs/dbraw/zinc/67/37/00/1311673700.db2.gz CJCZRIWYNDGWRP-UHFFFAOYSA-N -1 3 344.371 2.701 20 5 EFBDHM Cc1nc(OC2CCN(c3cccc(F)c3[N+](=O)[O-])CC2)cc(=O)[n-]1 ZINC001226512626 1311680360 /nfs/dbraw/zinc/68/03/60/1311680360.db2.gz SVNWWOSYQFMZRE-UHFFFAOYSA-N -1 3 348.334 2.586 20 5 EFBDHM CC/C=C\CCOC(=O)[C@H](C)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227689979 1311839808 /nfs/dbraw/zinc/83/98/08/1311839808.db2.gz DHMPKCDTSIVTEK-LWTINBJPSA-N -1 3 334.332 2.533 20 5 EFBDHM O=[N+]([O-])c1cnc(O[C@H]2CCc3c2nccc3Cl)c2[n-]cnc21 ZINC001227693331 1311840410 /nfs/dbraw/zinc/84/04/10/1311840410.db2.gz SXPAZOXYNPTUNY-JTQLQIEISA-N -1 3 331.719 2.981 20 5 EFBDHM O=[N+]([O-])c1cnc(OC2CC(OCc3ccccc3)C2)c2[n-]cnc21 ZINC001227692831 1311840638 /nfs/dbraw/zinc/84/06/38/1311840638.db2.gz FMCUECULRVIBIS-UHFFFAOYSA-N -1 3 340.339 2.993 20 5 EFBDHM CC(C)(C)C(=O)OC1CC(Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)C1 ZINC001227746778 1311849854 /nfs/dbraw/zinc/84/98/54/1311849854.db2.gz UKEITUMWQGORMX-UHFFFAOYSA-N -1 3 333.344 2.970 20 5 EFBDHM CC(C)(C)C(=O)OC1CC(Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC001227746778 1311849858 /nfs/dbraw/zinc/84/98/58/1311849858.db2.gz UKEITUMWQGORMX-UHFFFAOYSA-N -1 3 333.344 2.970 20 5 EFBDHM COC(=O)[C@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)c1ccc(F)cc1 ZINC001227746591 1311849866 /nfs/dbraw/zinc/84/98/66/1311849866.db2.gz UDKKEBNILPJPMG-CQSZACIVSA-N -1 3 345.286 2.903 20 5 EFBDHM COC(=O)[C@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)c1ccc(F)cc1 ZINC001227746591 1311849868 /nfs/dbraw/zinc/84/98/68/1311849868.db2.gz UDKKEBNILPJPMG-CQSZACIVSA-N -1 3 345.286 2.903 20 5 EFBDHM CCCCOC[C@H](C)OC[C@@H](C)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228688931 1311982342 /nfs/dbraw/zinc/98/23/42/1311982342.db2.gz NAONFWMXRQFGRB-NWDGAFQWSA-N -1 3 342.392 2.993 20 5 EFBDHM Cc1nc(OC2CCN(c3ccccc3[N+](=O)[O-])CC2)c(C)c(=O)[n-]1 ZINC001229690031 1312123304 /nfs/dbraw/zinc/12/33/04/1312123304.db2.gz NYSZEQFTBZXCBQ-UHFFFAOYSA-N -1 3 344.371 2.755 20 5 EFBDHM C[C@@H](N)c1nc2ccccc2n1-c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001162778509 1312173973 /nfs/dbraw/zinc/17/39/73/1312173973.db2.gz LETXWQQQGPFPFX-SECBINFHSA-N -1 3 326.312 2.652 20 5 EFBDHM O=c1nc2cccc(F)c2c(O[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)[n-]1 ZINC001231077240 1312424339 /nfs/dbraw/zinc/42/43/39/1312424339.db2.gz SQEVAVHCXORIBS-LBPRGKRZSA-N -1 3 341.298 2.929 20 5 EFBDHM Cc1cc(=O)c([N+](=O)[O-])c(O[C@H]2CCN(Cc3ccccc3)C2)[n-]1 ZINC001231258624 1312465848 /nfs/dbraw/zinc/46/58/48/1312465848.db2.gz BEZZRLCMQZHYSU-AWEZNQCLSA-N -1 3 329.356 2.657 20 5 EFBDHM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H]2CCN(Cc3ccccc3)C2)n1 ZINC001231258624 1312465850 /nfs/dbraw/zinc/46/58/50/1312465850.db2.gz BEZZRLCMQZHYSU-AWEZNQCLSA-N -1 3 329.356 2.657 20 5 EFBDHM COC(=O)c1nc(Cl)cnc1[N-]c1c(F)ccc([N+](=O)[O-])c1F ZINC001215287794 1314809839 /nfs/dbraw/zinc/80/98/39/1314809839.db2.gz WITCIJOPZRJDGH-UHFFFAOYSA-N -1 3 344.661 2.847 20 5 EFBDHM CC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCN(C(=O)C=C2CCC2)CC1 ZINC001067253436 1314855279 /nfs/dbraw/zinc/85/52/79/1314855279.db2.gz JCOUUYYEUPYKSR-UHFFFAOYSA-N -1 3 346.387 2.599 20 5 EFBDHM COC(=O)c1nc(Cl)cnc1[N-]c1ccc(OC)cc1[N+](=O)[O-] ZINC001248461112 1314937498 /nfs/dbraw/zinc/93/74/98/1314937498.db2.gz MTVLABZKIXLQAV-UHFFFAOYSA-N -1 3 338.707 2.577 20 5 EFBDHM O=[N+]([O-])c1cc(F)cnc1-c1noc(-c2nc3ccccc3[n-]2)n1 ZINC001217135633 1315037813 /nfs/dbraw/zinc/03/78/13/1315037813.db2.gz IUBMAKURWVFSGC-UHFFFAOYSA-N -1 3 326.247 2.722 20 5 EFBDHM O=[N+]([O-])c1cc2[n-]c(O[C@@H]3CCNCC3(F)F)nc2cc1Cl ZINC001218012073 1315133665 /nfs/dbraw/zinc/13/36/65/1315133665.db2.gz LRRQRYWZFCEQKX-SNVBAGLBSA-N -1 3 332.694 2.501 20 5 EFBDHM O=[N+]([O-])c1cc2nc(O[C@@H]3CCNCC3(F)F)[n-]c2cc1Cl ZINC001218012073 1315133666 /nfs/dbraw/zinc/13/36/66/1315133666.db2.gz LRRQRYWZFCEQKX-SNVBAGLBSA-N -1 3 332.694 2.501 20 5 EFBDHM COC(=O)c1cc2[nH]c(-c3ccc([N+](=O)[O-])c([O-])c3)nc2cc1OC ZINC001250881488 1315287205 /nfs/dbraw/zinc/28/72/05/1315287205.db2.gz XDLMTWRFEVGIFZ-UHFFFAOYSA-N -1 3 343.295 2.639 20 5 EFBDHM CC1(CC(=O)N2CCC(C)(Nc3cc[n-]c(=O)c3[N+](=O)[O-])CC2)CC1 ZINC001067282158 1315380764 /nfs/dbraw/zinc/38/07/64/1315380764.db2.gz KZGHFNWPGJZISO-UHFFFAOYSA-N -1 3 348.403 2.679 20 5 EFBDHM O=c1[n-]cc(-c2nnc(Cc3ccc(Cl)cc3)o2)cc1[N+](=O)[O-] ZINC001254293963 1315691877 /nfs/dbraw/zinc/69/18/77/1315691877.db2.gz QKCRMHMYFMSKAW-UHFFFAOYSA-N -1 3 332.703 2.990 20 5 EFBDHM O=[N+]([O-])c1[n-]nc(-c2nnc(C3CCCC3)o2)c1Br ZINC001257568303 1316075230 /nfs/dbraw/zinc/07/52/30/1316075230.db2.gz VHPAROVXVBWNNR-UHFFFAOYSA-N -1 3 328.126 2.788 20 5 EFBDHM O=[N+]([O-])c1n[n-]c(-c2nnc(C3CCCC3)o2)c1Br ZINC001257568303 1316075231 /nfs/dbraw/zinc/07/52/31/1316075231.db2.gz VHPAROVXVBWNNR-UHFFFAOYSA-N -1 3 328.126 2.788 20 5 EFBDHM O=c1[n-]cc(-c2nnc(CCCc3ccccc3)o2)cc1[N+](=O)[O-] ZINC001257792600 1316093361 /nfs/dbraw/zinc/09/33/61/1316093361.db2.gz VNHQBBLZLXOTLF-UHFFFAOYSA-N -1 3 326.312 2.921 20 5 EFBDHM CC(C)(C)Cc1nnc(-c2n[n-]c([N+](=O)[O-])c2Br)o1 ZINC001257880363 1316099906 /nfs/dbraw/zinc/09/99/06/1316099906.db2.gz FVDFSSCPDWIPMW-UHFFFAOYSA-N -1 3 330.142 2.719 20 5 EFBDHM CC(C)(C)Cc1nnc(-c2[n-]nc([N+](=O)[O-])c2Br)o1 ZINC001257880363 1316099907 /nfs/dbraw/zinc/09/99/07/1316099907.db2.gz FVDFSSCPDWIPMW-UHFFFAOYSA-N -1 3 330.142 2.719 20 5 EFBDHM Cc1nc[n-]c(=O)c1CCC(=O)O[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001320875915 1329313140 /nfs/dbraw/zinc/31/31/40/1329313140.db2.gz QGUCWEZFHBCGRZ-LLVKDONJSA-N -1 3 331.328 2.636 20 5 EFBDHM CCc1nc([N-]C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])n[nH]1 ZINC001324092208 1329598667 /nfs/dbraw/zinc/59/86/67/1329598667.db2.gz ZDWXRCYZZOBUII-UHFFFAOYSA-N -1 3 330.131 2.834 20 5 EFBDHM COc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1F ZINC001338177832 1331667069 /nfs/dbraw/zinc/66/70/69/1331667069.db2.gz MBTCGQUFKNHPSB-UHFFFAOYSA-N -1 3 340.332 2.852 20 5 EFBDHM Cc1cc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])ccc1N1CCCC1=O ZINC001347181729 1332722510 /nfs/dbraw/zinc/72/25/10/1332722510.db2.gz MJBYCTXSUDFFJR-UHFFFAOYSA-N -1 3 328.328 2.874 20 5 EFBDHM COc1c([O-])ccc(CN(C)Cc2nccn2C(F)F)c1[N+](=O)[O-] ZINC000891630282 714881120 /nfs/dbraw/zinc/88/11/20/714881120.db2.gz DXRYQCANYKKRTG-UHFFFAOYSA-N -1 3 342.302 2.533 20 5 EFBDHM Cc1cc(F)cc(C(=O)[N-]c2cc(C(N)=O)ccc2F)c1[N+](=O)[O-] ZINC000176963335 717330211 /nfs/dbraw/zinc/33/02/11/717330211.db2.gz GPHYWVPVRRMLFW-UHFFFAOYSA-N -1 3 335.266 2.533 20 5 EFBDHM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000179624816 717816276 /nfs/dbraw/zinc/81/62/76/717816276.db2.gz KVZXRTFKWGOINO-UHFFFAOYSA-N -1 3 328.296 2.982 20 5 EFBDHM O=C(N[C@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])C1)c1ccccc1[O-] ZINC001059153589 722660966 /nfs/dbraw/zinc/66/09/66/722660966.db2.gz RBQCCEAHLWDLEI-HAQNSBGRSA-N -1 3 327.340 2.673 20 5 EFBDHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000076834271 728531044 /nfs/dbraw/zinc/53/10/44/728531044.db2.gz WFKFRQPZPDUJSA-OAHLLOKOSA-N -1 3 335.385 2.665 20 5 EFBDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000154873260 728956646 /nfs/dbraw/zinc/95/66/46/728956646.db2.gz NFKLEVQZVLKKHM-UHFFFAOYSA-N -1 3 335.629 2.637 20 5 EFBDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000154873260 728956652 /nfs/dbraw/zinc/95/66/52/728956652.db2.gz NFKLEVQZVLKKHM-UHFFFAOYSA-N -1 3 335.629 2.637 20 5 EFBDHM CC(C)[C@@H]1CCC[C@H](Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001574088846 948938707 /nfs/dbraw/zinc/93/87/07/948938707.db2.gz FGLZFNKMXJOGDS-PWSUYJOCSA-N -1 3 331.380 2.797 20 5 EFBDHM CC(C)[C@@H]1CCC[C@H](Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001574088846 948938716 /nfs/dbraw/zinc/93/87/16/948938716.db2.gz FGLZFNKMXJOGDS-PWSUYJOCSA-N -1 3 331.380 2.797 20 5 EFBDHM CC(C)(C)c1coc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)n1 ZINC001573884738 950807627 /nfs/dbraw/zinc/80/76/27/950807627.db2.gz OGSNAPVSZPLHNV-UHFFFAOYSA-N -1 3 343.347 2.673 20 5 EFBDHM CC(C)(C)c1coc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)n1 ZINC001573884738 950807655 /nfs/dbraw/zinc/80/76/55/950807655.db2.gz OGSNAPVSZPLHNV-UHFFFAOYSA-N -1 3 343.347 2.673 20 5 EFBDHM C[C@]1(C(=O)[O-])CCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000901514061 956333037 /nfs/dbraw/zinc/33/30/37/956333037.db2.gz ZDFVWLQQBQPHSC-ZDUSSCGKSA-N -1 3 332.278 2.910 20 5 EFBDHM CC[C@@H](C)N[C@H](CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccco1 ZINC001594994713 982881324 /nfs/dbraw/zinc/88/13/24/982881324.db2.gz PSWQOWXUTHEVND-ZYHUDNBSSA-N -1 3 348.359 2.822 20 5 EFBDHM COCc1cccc(CN[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c1 ZINC001599298453 997190018 /nfs/dbraw/zinc/19/00/18/997190018.db2.gz ZSBGMRXOBMLBQY-SFHVURJKSA-N -1 3 344.367 2.831 20 5 EFBDHM COc1ccc([C@@H](NCc2ccc([N+](=O)[O-])cc2C)C(=O)[O-])cc1 ZINC001599532282 997677309 /nfs/dbraw/zinc/67/73/09/997677309.db2.gz RFNMPNRCCVJTCX-MRXNPFEDSA-N -1 3 330.340 2.827 20 5 EFBDHM COC[C@](C)(CC(=O)[O-])NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001599149989 998279633 /nfs/dbraw/zinc/27/96/33/998279633.db2.gz WGZXBCZEYNGPEN-KRWDZBQOSA-N -1 3 348.355 2.824 20 5 EFBDHM Cc1c(CNc2cc(F)ccc2-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001580552550 1090945415 /nfs/dbraw/zinc/94/54/15/1090945415.db2.gz LRXWOTXXEKSHDF-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM Cc1c(CNc2cc(F)ccc2-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001580552550 1090945419 /nfs/dbraw/zinc/94/54/19/1090945419.db2.gz LRXWOTXXEKSHDF-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM Cc1ccnc(NC[C@H](C)c2ccccc2[N+](=O)[O-])c1-c1nnn[n-]1 ZINC001581281663 1091111955 /nfs/dbraw/zinc/11/19/55/1091111955.db2.gz OAHBVTYFNWWEIX-NSHDSACASA-N -1 3 339.359 2.694 20 5 EFBDHM Cc1ccnc(NC[C@H](C)c2ccccc2[N+](=O)[O-])c1-c1nn[n-]n1 ZINC001581281663 1091111958 /nfs/dbraw/zinc/11/19/58/1091111958.db2.gz OAHBVTYFNWWEIX-NSHDSACASA-N -1 3 339.359 2.694 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(NC[C@H]2CCC[C@H]2C2CC2)c1-c1nnn[n-]1 ZINC001581909877 1091334137 /nfs/dbraw/zinc/33/41/37/1091334137.db2.gz YRZMLIPRZQEAGP-MNOVXSKESA-N -1 3 343.391 2.595 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(NC[C@H]2CCC[C@H]2C2CC2)c1-c1nn[n-]n1 ZINC001581909877 1091334146 /nfs/dbraw/zinc/33/41/46/1091334146.db2.gz YRZMLIPRZQEAGP-MNOVXSKESA-N -1 3 343.391 2.595 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(N[C@@H]2C[C@H]2C2CCCCC2)c1-c1nnn[n-]1 ZINC001581909518 1091334607 /nfs/dbraw/zinc/33/46/07/1091334607.db2.gz IURHXTJCOJBDNU-CMPLNLGQSA-N -1 3 343.391 2.738 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(N[C@@H]2C[C@H]2C2CCCCC2)c1-c1nn[n-]n1 ZINC001581909518 1091334622 /nfs/dbraw/zinc/33/46/22/1091334622.db2.gz IURHXTJCOJBDNU-CMPLNLGQSA-N -1 3 343.391 2.738 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1Oc1ccc(F)cc1F ZINC001582803535 1091668135 /nfs/dbraw/zinc/66/81/35/1091668135.db2.gz LFBYFRQUVCKTFF-UHFFFAOYSA-N -1 3 337.217 2.985 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1CNC1(c2ccccc2)CC1 ZINC001582803622 1091668395 /nfs/dbraw/zinc/66/83/95/1091668395.db2.gz ODODDVHSJCYYLC-UHFFFAOYSA-N -1 3 336.355 2.554 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1CNC1(c2ccccc2)CC1 ZINC001582803622 1091668403 /nfs/dbraw/zinc/66/84/03/1091668403.db2.gz ODODDVHSJCYYLC-UHFFFAOYSA-N -1 3 336.355 2.554 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001582803654 1091668447 /nfs/dbraw/zinc/66/84/47/1091668447.db2.gz PIGCZEZZUUQGNB-KXUCPTDWSA-N -1 3 332.339 2.762 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001582803654 1091668454 /nfs/dbraw/zinc/66/84/54/1091668454.db2.gz PIGCZEZZUUQGNB-KXUCPTDWSA-N -1 3 332.339 2.762 20 5 EFBDHM O=[N+]([O-])c1ccc(N2Cc3cc(F)c(F)cc3C2)c(-c2nnn[n-]2)c1 ZINC001582804265 1091668860 /nfs/dbraw/zinc/66/88/60/1091668860.db2.gz PBLFNXGBPNHWQS-UHFFFAOYSA-N -1 3 344.281 2.573 20 5 EFBDHM O=[N+]([O-])c1ccc(N2Cc3cc(F)c(F)cc3C2)c(-c2nn[n-]n2)c1 ZINC001582804265 1091668865 /nfs/dbraw/zinc/66/88/65/1091668865.db2.gz PBLFNXGBPNHWQS-UHFFFAOYSA-N -1 3 344.281 2.573 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NCc1ccc(Cl)nc1 ZINC001582803524 1091669117 /nfs/dbraw/zinc/66/91/17/1091669117.db2.gz KPWSWPLSNZUBIN-UHFFFAOYSA-N -1 3 349.713 2.575 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NCc1ccc(Cl)nc1 ZINC001582803524 1091669119 /nfs/dbraw/zinc/66/91/19/1091669119.db2.gz KPWSWPLSNZUBIN-UHFFFAOYSA-N -1 3 349.713 2.575 20 5 EFBDHM CC(=O)c1cccc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001588920695 1093013923 /nfs/dbraw/zinc/01/39/23/1093013923.db2.gz VAHQIOZNTVOFAB-UHFFFAOYSA-N -1 3 338.327 2.590 20 5 EFBDHM CC(=O)c1cccc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001588920695 1093013930 /nfs/dbraw/zinc/01/39/30/1093013930.db2.gz VAHQIOZNTVOFAB-UHFFFAOYSA-N -1 3 338.327 2.590 20 5 EFBDHM CC(C)(CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CCCC1 ZINC001589291907 1093066850 /nfs/dbraw/zinc/06/68/50/1093066850.db2.gz DPBPXLITNZXVPE-UHFFFAOYSA-N -1 3 331.380 2.798 20 5 EFBDHM CC(C)(CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CCCC1 ZINC001589291907 1093066860 /nfs/dbraw/zinc/06/68/60/1093066860.db2.gz DPBPXLITNZXVPE-UHFFFAOYSA-N -1 3 331.380 2.798 20 5 EFBDHM CC(C)(CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])CC(F)F ZINC001589293098 1093067272 /nfs/dbraw/zinc/06/72/72/1093067272.db2.gz QCCNNHRMFZEPGD-UHFFFAOYSA-N -1 3 326.307 2.868 20 5 EFBDHM CC(C)(CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])CC(F)F ZINC001589293098 1093067280 /nfs/dbraw/zinc/06/72/80/1093067280.db2.gz QCCNNHRMFZEPGD-UHFFFAOYSA-N -1 3 326.307 2.868 20 5 EFBDHM CC(C)[C@@H](C)N(C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001589437743 1093083922 /nfs/dbraw/zinc/08/39/22/1093083922.db2.gz YNXHKMPDCQSEDE-SNVBAGLBSA-N -1 3 341.375 2.804 20 5 EFBDHM CC(C)[C@@H](C)N(C)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001589437743 1093083930 /nfs/dbraw/zinc/08/39/30/1093083930.db2.gz YNXHKMPDCQSEDE-SNVBAGLBSA-N -1 3 341.375 2.804 20 5 EFBDHM CC(C)C[C@H]1CCCN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001589573031 1093109003 /nfs/dbraw/zinc/10/90/03/1093109003.db2.gz UDSTUWNZVLDRMH-LLVKDONJSA-N -1 3 345.407 2.620 20 5 EFBDHM CC(C)C[C@H]1CCCN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001589573031 1093109008 /nfs/dbraw/zinc/10/90/08/1093109008.db2.gz UDSTUWNZVLDRMH-LLVKDONJSA-N -1 3 345.407 2.620 20 5 EFBDHM C[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1c(F)cncc1F ZINC001589981802 1093209461 /nfs/dbraw/zinc/20/94/61/1093209461.db2.gz KELCHGWIYQGPTK-ZETCQYMHSA-N -1 3 347.285 2.621 20 5 EFBDHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1c(F)cncc1F ZINC001589981802 1093209472 /nfs/dbraw/zinc/20/94/72/1093209472.db2.gz KELCHGWIYQGPTK-ZETCQYMHSA-N -1 3 347.285 2.621 20 5 EFBDHM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1[N+](=O)[O-] ZINC001590013839 1093222346 /nfs/dbraw/zinc/22/23/46/1093222346.db2.gz SJCSNNOISDZJQF-JTQLQIEISA-N -1 3 339.311 2.693 20 5 EFBDHM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC001590013839 1093222355 /nfs/dbraw/zinc/22/23/55/1093222355.db2.gz SJCSNNOISDZJQF-JTQLQIEISA-N -1 3 339.311 2.693 20 5 EFBDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)c1ncc([N+](=O)[O-])cc1F ZINC001590047077 1093240406 /nfs/dbraw/zinc/24/04/06/1093240406.db2.gz ONJTUTPSRKSDMO-VIFPVBQESA-N -1 3 343.322 2.506 20 5 EFBDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)c1ncc([N+](=O)[O-])cc1F ZINC001590047077 1093240412 /nfs/dbraw/zinc/24/04/12/1093240412.db2.gz ONJTUTPSRKSDMO-VIFPVBQESA-N -1 3 343.322 2.506 20 5 EFBDHM CC1(C)C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCS1 ZINC001590084078 1093258581 /nfs/dbraw/zinc/25/85/81/1093258581.db2.gz UHZSXBMLLAEFGW-SECBINFHSA-N -1 3 334.405 2.861 20 5 EFBDHM CC1(C)C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCS1 ZINC001590084078 1093258587 /nfs/dbraw/zinc/25/85/87/1093258587.db2.gz UHZSXBMLLAEFGW-SECBINFHSA-N -1 3 334.405 2.861 20 5 EFBDHM C[C@@]1(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1(Cl)Cl ZINC001590133391 1093281137 /nfs/dbraw/zinc/28/11/37/1093281137.db2.gz AYSFJXWXHKFSMZ-NSHDSACASA-N -1 3 343.174 2.771 20 5 EFBDHM C[C@@]1(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1(Cl)Cl ZINC001590133391 1093281142 /nfs/dbraw/zinc/28/11/42/1093281142.db2.gz AYSFJXWXHKFSMZ-NSHDSACASA-N -1 3 343.174 2.771 20 5 EFBDHM C[C@@]1(c2ccccc2)C[C@H]1Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590152230 1093284544 /nfs/dbraw/zinc/28/45/44/1093284544.db2.gz STZDPXULBKMQOJ-PBHICJAKSA-N -1 3 336.355 2.917 20 5 EFBDHM C[C@@]1(c2ccccc2)C[C@H]1Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590152230 1093284552 /nfs/dbraw/zinc/28/45/52/1093284552.db2.gz STZDPXULBKMQOJ-PBHICJAKSA-N -1 3 336.355 2.917 20 5 EFBDHM C[C@@H]1C[C@@H](CCNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC001590190070 1093298079 /nfs/dbraw/zinc/29/80/79/1093298079.db2.gz NWCFSUODDNGNIU-ZSBIGDGJSA-N -1 3 346.391 2.781 20 5 EFBDHM C[C@@H]1C[C@@H](CCNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC001590190070 1093298092 /nfs/dbraw/zinc/29/80/92/1093298092.db2.gz NWCFSUODDNGNIU-ZSBIGDGJSA-N -1 3 346.391 2.781 20 5 EFBDHM C[C@H]1CCCC[C@@H]1OCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590254137 1093342533 /nfs/dbraw/zinc/34/25/33/1093342533.db2.gz JXIHKBHXDZGZMI-NHYWBVRUSA-N -1 3 346.391 2.782 20 5 EFBDHM C[C@H]1CCCC[C@@H]1OCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590254137 1093342541 /nfs/dbraw/zinc/34/25/41/1093342541.db2.gz JXIHKBHXDZGZMI-NHYWBVRUSA-N -1 3 346.391 2.782 20 5 EFBDHM C[C@@H]1CCCC[C@H]1OCCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590254468 1093343685 /nfs/dbraw/zinc/34/36/85/1093343685.db2.gz MOORWEFYTHRFAD-BXUZGUMPSA-N -1 3 346.391 2.782 20 5 EFBDHM C[C@@H]1CCCC[C@H]1OCCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590254468 1093343693 /nfs/dbraw/zinc/34/36/93/1093343693.db2.gz MOORWEFYTHRFAD-BXUZGUMPSA-N -1 3 346.391 2.782 20 5 EFBDHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C[C@@H](C)C1(F)F ZINC001590314970 1093371531 /nfs/dbraw/zinc/37/15/31/1093371531.db2.gz VDIIRTWUJWZZLZ-RKDXNWHRSA-N -1 3 338.318 2.502 20 5 EFBDHM C[C@H]1CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C[C@H](C)C1(F)F ZINC001590314968 1093372412 /nfs/dbraw/zinc/37/24/12/1093372412.db2.gz VDIIRTWUJWZZLZ-IUCAKERBSA-N -1 3 338.318 2.502 20 5 EFBDHM C[C@H]1CN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])CC(C)(C)C1 ZINC001590315963 1093373223 /nfs/dbraw/zinc/37/32/23/1093373223.db2.gz ZUMXVLPXVLMNPS-SECBINFHSA-N -1 3 334.355 2.786 20 5 EFBDHM C[C@H]1CN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])CC(C)(C)C1 ZINC001590315963 1093373226 /nfs/dbraw/zinc/37/32/26/1093373226.db2.gz ZUMXVLPXVLMNPS-SECBINFHSA-N -1 3 334.355 2.786 20 5 EFBDHM CC[C@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1c(C)noc1C ZINC001590473271 1093445323 /nfs/dbraw/zinc/44/53/23/1093445323.db2.gz NHKOZHKFZLGSES-LBPRGKRZSA-N -1 3 343.347 2.943 20 5 EFBDHM CC[C@@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1c(C)noc1C ZINC001590473270 1093445413 /nfs/dbraw/zinc/44/54/13/1093445413.db2.gz NHKOZHKFZLGSES-GFCCVEGCSA-N -1 3 343.347 2.943 20 5 EFBDHM CCCC1(C(=O)OCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCC1 ZINC001590563350 1093489980 /nfs/dbraw/zinc/48/99/80/1093489980.db2.gz GUAPWKKQMLNMQK-UHFFFAOYSA-N -1 3 345.359 2.789 20 5 EFBDHM CCCC1(C(=O)OCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCC1 ZINC001590563350 1093489986 /nfs/dbraw/zinc/48/99/86/1093489986.db2.gz GUAPWKKQMLNMQK-UHFFFAOYSA-N -1 3 345.359 2.789 20 5 EFBDHM CCN(CCc1cccs1)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590717132 1093551777 /nfs/dbraw/zinc/55/17/77/1093551777.db2.gz NQFWHMOQRUAQCG-UHFFFAOYSA-N -1 3 344.400 2.905 20 5 EFBDHM CCO[C@H](CCNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1)C(C)C ZINC001590784080 1093568653 /nfs/dbraw/zinc/56/86/53/1093568653.db2.gz MEHKBKZLLWTNOD-OAHLLOKOSA-N -1 3 348.407 2.946 20 5 EFBDHM CCO[C@H](CCNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1)C(C)C ZINC001590784080 1093568656 /nfs/dbraw/zinc/56/86/56/1093568656.db2.gz MEHKBKZLLWTNOD-OAHLLOKOSA-N -1 3 348.407 2.946 20 5 EFBDHM CCO[C@@H](CSCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CC1 ZINC001590785285 1093569124 /nfs/dbraw/zinc/56/91/24/1093569124.db2.gz MHOXUNIPVIQKQK-AWEZNQCLSA-N -1 3 349.416 2.823 20 5 EFBDHM CCO[C@@H](CSCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CC1 ZINC001590785285 1093569133 /nfs/dbraw/zinc/56/91/33/1093569133.db2.gz MHOXUNIPVIQKQK-AWEZNQCLSA-N -1 3 349.416 2.823 20 5 EFBDHM CCO[C@H](CSCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CC1 ZINC001590785286 1093569713 /nfs/dbraw/zinc/56/97/13/1093569713.db2.gz MHOXUNIPVIQKQK-CQSZACIVSA-N -1 3 349.416 2.823 20 5 EFBDHM CCO[C@H](CSCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CC1 ZINC001590785286 1093569720 /nfs/dbraw/zinc/56/97/20/1093569720.db2.gz MHOXUNIPVIQKQK-CQSZACIVSA-N -1 3 349.416 2.823 20 5 EFBDHM CCOc1ccc(Oc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)cc1 ZINC001590839334 1093591903 /nfs/dbraw/zinc/59/19/03/1093591903.db2.gz OYDISDWITARMIN-UHFFFAOYSA-N -1 3 342.315 2.548 20 5 EFBDHM CCOc1ccc(Oc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)cc1 ZINC001590839334 1093591910 /nfs/dbraw/zinc/59/19/10/1093591910.db2.gz OYDISDWITARMIN-UHFFFAOYSA-N -1 3 342.315 2.548 20 5 EFBDHM CCSC1(CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001590849662 1093596349 /nfs/dbraw/zinc/59/63/49/1093596349.db2.gz AUIJXAOLPKOQMG-UHFFFAOYSA-N -1 3 338.368 2.612 20 5 EFBDHM CCSC1(CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001590849662 1093596355 /nfs/dbraw/zinc/59/63/55/1093596355.db2.gz AUIJXAOLPKOQMG-UHFFFAOYSA-N -1 3 338.368 2.612 20 5 EFBDHM CCS[C@H]1CCC[C@@H]1Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590850215 1093597851 /nfs/dbraw/zinc/59/78/51/1093597851.db2.gz HVAQOTHSABFGJE-AAEUAGOBSA-N -1 3 334.405 2.861 20 5 EFBDHM CCSCCSCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590853683 1093601179 /nfs/dbraw/zinc/60/11/79/1093601179.db2.gz WHQZKEFOFLPWFF-UHFFFAOYSA-N -1 3 325.419 2.761 20 5 EFBDHM CCSCCSCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590853683 1093601185 /nfs/dbraw/zinc/60/11/85/1093601185.db2.gz WHQZKEFOFLPWFF-UHFFFAOYSA-N -1 3 325.419 2.761 20 5 EFBDHM CN(CCc1cccc([N+](=O)[O-])c1)c1cccc(F)c1-c1nnn[n-]1 ZINC001591121125 1093662730 /nfs/dbraw/zinc/66/27/30/1093662730.db2.gz NFGXYMMNAXNCEK-UHFFFAOYSA-N -1 3 342.334 2.593 20 5 EFBDHM CN(CCc1cccc([N+](=O)[O-])c1)c1cccc(F)c1-c1nn[n-]n1 ZINC001591121125 1093662732 /nfs/dbraw/zinc/66/27/32/1093662732.db2.gz NFGXYMMNAXNCEK-UHFFFAOYSA-N -1 3 342.334 2.593 20 5 EFBDHM CN(CCc1cccc(-c2nnn[n-]2)c1)c1sccc1[N+](=O)[O-] ZINC001591121570 1093664166 /nfs/dbraw/zinc/66/41/66/1093664166.db2.gz VFIYSUYYAVZFMM-UHFFFAOYSA-N -1 3 330.373 2.515 20 5 EFBDHM CN(CCc1cccc(-c2nn[n-]n2)c1)c1sccc1[N+](=O)[O-] ZINC001591121570 1093664171 /nfs/dbraw/zinc/66/41/71/1093664171.db2.gz VFIYSUYYAVZFMM-UHFFFAOYSA-N -1 3 330.373 2.515 20 5 EFBDHM CN(Cc1cc(-c2nnn[n-]2)cs1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001591131360 1093666597 /nfs/dbraw/zinc/66/65/97/1093666597.db2.gz POFKYAWIRKMJFX-UHFFFAOYSA-N -1 3 348.363 2.608 20 5 EFBDHM CN(Cc1cc(-c2nn[n-]n2)cs1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001591131360 1093666601 /nfs/dbraw/zinc/66/66/01/1093666601.db2.gz POFKYAWIRKMJFX-UHFFFAOYSA-N -1 3 348.363 2.608 20 5 EFBDHM CN(Cc1cc2ccccc2[nH]1)c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591134034 1093667877 /nfs/dbraw/zinc/66/78/77/1093667877.db2.gz NXEHWQVHROETNE-UHFFFAOYSA-N -1 3 349.354 2.893 20 5 EFBDHM CN(Cc1cc2ccccc2[nH]1)c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591134034 1093667883 /nfs/dbraw/zinc/66/78/83/1093667883.db2.gz NXEHWQVHROETNE-UHFFFAOYSA-N -1 3 349.354 2.893 20 5 EFBDHM CN(Cc1ccccc1[N+](=O)[O-])Cc1cccc(F)c1-c1nnn[n-]1 ZINC001591147489 1093674132 /nfs/dbraw/zinc/67/41/32/1093674132.db2.gz NAGHJGQZJNGWKN-UHFFFAOYSA-N -1 3 342.334 2.546 20 5 EFBDHM CN(Cc1ccccc1[N+](=O)[O-])Cc1cccc(F)c1-c1nn[n-]n1 ZINC001591147489 1093674134 /nfs/dbraw/zinc/67/41/34/1093674134.db2.gz NAGHJGQZJNGWKN-UHFFFAOYSA-N -1 3 342.334 2.546 20 5 EFBDHM CO[C@]1(C)C[C@H](Nc2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)C1(C)C ZINC001591338102 1093697288 /nfs/dbraw/zinc/69/72/88/1093697288.db2.gz BVXFCRFQEBPDOS-XJKSGUPXSA-N -1 3 346.391 2.699 20 5 EFBDHM CO[C@]1(C)C[C@H](Nc2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)C1(C)C ZINC001591338102 1093697291 /nfs/dbraw/zinc/69/72/91/1093697291.db2.gz BVXFCRFQEBPDOS-XJKSGUPXSA-N -1 3 346.391 2.699 20 5 EFBDHM COC1(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCCCCC1 ZINC001591342387 1093700025 /nfs/dbraw/zinc/70/00/25/1093700025.db2.gz MLHVQILXJQHTSI-UHFFFAOYSA-N -1 3 346.391 2.926 20 5 EFBDHM COC1(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCCCCC1 ZINC001591342387 1093700029 /nfs/dbraw/zinc/70/00/29/1093700029.db2.gz MLHVQILXJQHTSI-UHFFFAOYSA-N -1 3 346.391 2.926 20 5 EFBDHM COCCc1ccc(Oc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC001591447426 1093724249 /nfs/dbraw/zinc/72/42/49/1093724249.db2.gz LXODYCMKPVXMEN-UHFFFAOYSA-N -1 3 341.327 2.756 20 5 EFBDHM COCCc1ccc(Oc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC001591447426 1093724252 /nfs/dbraw/zinc/72/42/52/1093724252.db2.gz LXODYCMKPVXMEN-UHFFFAOYSA-N -1 3 341.327 2.756 20 5 EFBDHM COCc1cccc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC001591458011 1093727316 /nfs/dbraw/zinc/72/73/16/1093727316.db2.gz ZPMCFHPKXZHUSQ-UHFFFAOYSA-N -1 3 340.343 2.533 20 5 EFBDHM COCc1cccc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC001591458011 1093727324 /nfs/dbraw/zinc/72/73/24/1093727324.db2.gz ZPMCFHPKXZHUSQ-UHFFFAOYSA-N -1 3 340.343 2.533 20 5 EFBDHM COc1cc(Oc2c(Cl)cncc2[N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001591553836 1093766730 /nfs/dbraw/zinc/76/67/30/1093766730.db2.gz PAAGJCHWIOBPED-UHFFFAOYSA-N -1 3 348.706 2.624 20 5 EFBDHM COc1cc(Oc2c(Cl)cncc2[N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001591553836 1093766733 /nfs/dbraw/zinc/76/67/33/1093766733.db2.gz PAAGJCHWIOBPED-UHFFFAOYSA-N -1 3 348.706 2.624 20 5 EFBDHM COc1ccc(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)c(F)c1 ZINC001591601400 1093789269 /nfs/dbraw/zinc/78/92/69/1093789269.db2.gz QYAMFFSHEAZTDA-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM COc1ccc(F)cc1CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001591606982 1093794391 /nfs/dbraw/zinc/79/43/91/1093794391.db2.gz PDCSXYJSRFTYGZ-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM COc1ccc(F)cc1CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591606982 1093794399 /nfs/dbraw/zinc/79/43/99/1093794399.db2.gz PDCSXYJSRFTYGZ-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM COc1ccccc1[C@@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591654728 1093819997 /nfs/dbraw/zinc/81/99/97/1093819997.db2.gz XXEDFJDECWWXTF-SNVBAGLBSA-N -1 3 340.343 2.957 20 5 EFBDHM COc1ccccc1[C@@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591654728 1093820005 /nfs/dbraw/zinc/82/00/05/1093820005.db2.gz XXEDFJDECWWXTF-SNVBAGLBSA-N -1 3 340.343 2.957 20 5 EFBDHM COc1ccccc1[C@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591654661 1093820064 /nfs/dbraw/zinc/82/00/64/1093820064.db2.gz XXEDFJDECWWXTF-JTQLQIEISA-N -1 3 340.343 2.957 20 5 EFBDHM COc1ccccc1[C@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591654661 1093820068 /nfs/dbraw/zinc/82/00/68/1093820068.db2.gz XXEDFJDECWWXTF-JTQLQIEISA-N -1 3 340.343 2.957 20 5 EFBDHM C[C@@H](Nc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-])c1cncc(F)c1 ZINC001591729736 1093846904 /nfs/dbraw/zinc/84/69/04/1093846904.db2.gz HNNALWKMRFMMNU-SSDOTTSWSA-N -1 3 347.285 2.621 20 5 EFBDHM C[C@@H](Nc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-])c1cncc(F)c1 ZINC001591729736 1093846914 /nfs/dbraw/zinc/84/69/14/1093846914.db2.gz HNNALWKMRFMMNU-SSDOTTSWSA-N -1 3 347.285 2.621 20 5 EFBDHM Cc1c(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cccc1N(C)C ZINC001591828489 1093876631 /nfs/dbraw/zinc/87/66/31/1093876631.db2.gz LURNWNDTLUHUAY-UHFFFAOYSA-N -1 3 339.359 2.893 20 5 EFBDHM Cc1c(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cccc1N(C)C ZINC001591828489 1093876636 /nfs/dbraw/zinc/87/66/36/1093876636.db2.gz LURNWNDTLUHUAY-UHFFFAOYSA-N -1 3 339.359 2.893 20 5 EFBDHM Cc1cc(-c2nn[n-]n2)ccc1CN(C)Cc1ccccc1[N+](=O)[O-] ZINC001591865364 1093902749 /nfs/dbraw/zinc/90/27/49/1093902749.db2.gz UEDZPJXRNHSRHY-UHFFFAOYSA-N -1 3 338.371 2.715 20 5 EFBDHM Cc1cc(Cl)nc(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)c1 ZINC001591977735 1093944063 /nfs/dbraw/zinc/94/40/63/1093944063.db2.gz VFBHGMBHZYXANS-UHFFFAOYSA-N -1 3 345.750 2.744 20 5 EFBDHM Cc1cc(F)c(-c2nnn[n-]2)cc1NC(=O)c1csc([N+](=O)[O-])c1 ZINC001591986231 1093947343 /nfs/dbraw/zinc/94/73/43/1093947343.db2.gz BQTVQXQYAKRUKA-UHFFFAOYSA-N -1 3 348.319 2.536 20 5 EFBDHM Cc1cc(F)c(-c2nn[n-]n2)cc1NC(=O)c1csc([N+](=O)[O-])c1 ZINC001591986231 1093947345 /nfs/dbraw/zinc/94/73/45/1093947345.db2.gz BQTVQXQYAKRUKA-UHFFFAOYSA-N -1 3 348.319 2.536 20 5 EFBDHM Cc1cc(N(C)C[C@H]2CC=CCC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591994770 1093949883 /nfs/dbraw/zinc/94/98/83/1093949883.db2.gz CBVAPOAWMDDDAY-LBPRGKRZSA-N -1 3 328.376 2.876 20 5 EFBDHM Cc1cc(N(C)C[C@H]2CC=CCC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591994770 1093949885 /nfs/dbraw/zinc/94/98/85/1093949885.db2.gz CBVAPOAWMDDDAY-LBPRGKRZSA-N -1 3 328.376 2.876 20 5 EFBDHM Cc1cc(N(C)Cc2cc(-c3nnn[n-]3)cs2)c(F)cc1[N+](=O)[O-] ZINC001591996919 1093951404 /nfs/dbraw/zinc/95/14/04/1093951404.db2.gz QHALWFABQRSLSQ-UHFFFAOYSA-N -1 3 348.363 2.920 20 5 EFBDHM Cc1cc(N(C)Cc2cc(-c3nn[n-]n3)cs2)c(F)cc1[N+](=O)[O-] ZINC001591996919 1093951407 /nfs/dbraw/zinc/95/14/07/1093951407.db2.gz QHALWFABQRSLSQ-UHFFFAOYSA-N -1 3 348.363 2.920 20 5 EFBDHM Cc1cc(N2CC=C(c3ccccc3)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592000138 1093952018 /nfs/dbraw/zinc/95/20/18/1093952018.db2.gz PRVPHJUEXHWKGA-UHFFFAOYSA-N -1 3 348.366 2.987 20 5 EFBDHM Cc1cc(N2CC=C(c3ccccc3)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592000138 1093952022 /nfs/dbraw/zinc/95/20/22/1093952022.db2.gz PRVPHJUEXHWKGA-UHFFFAOYSA-N -1 3 348.366 2.987 20 5 EFBDHM Cc1cc(NCCCOC(C)(C)C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592047563 1093967045 /nfs/dbraw/zinc/96/70/45/1093967045.db2.gz NJYGGSAXTILKEJ-UHFFFAOYSA-N -1 3 334.380 2.700 20 5 EFBDHM Cc1cc(NCCCOC(C)(C)C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592047563 1093967046 /nfs/dbraw/zinc/96/70/46/1093967046.db2.gz NJYGGSAXTILKEJ-UHFFFAOYSA-N -1 3 334.380 2.700 20 5 EFBDHM Cc1cc(NCc2ccc(Cl)nc2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592052740 1093968269 /nfs/dbraw/zinc/96/82/69/1093968269.db2.gz WOEZHOSBBOBMHH-UHFFFAOYSA-N -1 3 345.750 2.744 20 5 EFBDHM Cc1cc(NCc2ccc(Cl)nc2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592052740 1093968274 /nfs/dbraw/zinc/96/82/74/1093968274.db2.gz WOEZHOSBBOBMHH-UHFFFAOYSA-N -1 3 345.750 2.744 20 5 EFBDHM Cc1cc([N+](=O)[O-])ccc1C=C1C(=O)Nc2cc(-c3nnn[n-]3)ccc21 ZINC001592069012 1093973026 /nfs/dbraw/zinc/97/30/26/1093973026.db2.gz XHYXXRAZSSCFQS-VGOFMYFVSA-N -1 3 348.322 2.576 20 5 EFBDHM Cc1cc([N+](=O)[O-])ccc1C=C1C(=O)Nc2cc(-c3nn[n-]n3)ccc21 ZINC001592069012 1093973028 /nfs/dbraw/zinc/97/30/28/1093973028.db2.gz XHYXXRAZSSCFQS-VGOFMYFVSA-N -1 3 348.322 2.576 20 5 EFBDHM Cc1ccc(COc2ccc([N+](=O)[O-])cc2C)cc1-c1nnn[n-]1 ZINC001592069145 1093974081 /nfs/dbraw/zinc/97/40/81/1093974081.db2.gz YYPHUNMCYVWHLP-UHFFFAOYSA-N -1 3 325.328 2.971 20 5 EFBDHM Cc1ccc(COc2ccc([N+](=O)[O-])cc2C)cc1-c1nn[n-]n1 ZINC001592069145 1093974087 /nfs/dbraw/zinc/97/40/87/1093974087.db2.gz YYPHUNMCYVWHLP-UHFFFAOYSA-N -1 3 325.328 2.971 20 5 EFBDHM Cc1cc(SCc2ccccn2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592067948 1093974097 /nfs/dbraw/zinc/97/40/97/1093974097.db2.gz HPJVAASBTPYAOY-UHFFFAOYSA-N -1 3 328.357 2.771 20 5 EFBDHM Cc1cc(SCc2ccccn2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592067948 1093974100 /nfs/dbraw/zinc/97/41/00/1093974100.db2.gz HPJVAASBTPYAOY-UHFFFAOYSA-N -1 3 328.357 2.771 20 5 EFBDHM Cc1ccc(-c2nnn[n-]2)c(NC[C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC001592085455 1093976973 /nfs/dbraw/zinc/97/69/73/1093976973.db2.gz WABDLXCJHHKOIJ-SNVBAGLBSA-N -1 3 339.359 2.694 20 5 EFBDHM Cc1ccc(-c2nn[n-]n2)c(NC[C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC001592085455 1093976976 /nfs/dbraw/zinc/97/69/76/1093976976.db2.gz WABDLXCJHHKOIJ-SNVBAGLBSA-N -1 3 339.359 2.694 20 5 EFBDHM Cc1ccc(-c2nnn[n-]2)c(Oc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC001592095719 1093977734 /nfs/dbraw/zinc/97/77/34/1093977734.db2.gz CSHMVZQBWRGKAQ-UHFFFAOYSA-N -1 3 332.707 2.924 20 5 EFBDHM Cc1ccc(-c2nn[n-]n2)c(Oc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC001592095719 1093977736 /nfs/dbraw/zinc/97/77/36/1093977736.db2.gz CSHMVZQBWRGKAQ-UHFFFAOYSA-N -1 3 332.707 2.924 20 5 EFBDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC001592107370 1093983128 /nfs/dbraw/zinc/98/31/28/1093983128.db2.gz VKSJFCXYKCEXPP-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC001592107370 1093983129 /nfs/dbraw/zinc/98/31/29/1093983129.db2.gz VKSJFCXYKCEXPP-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM Cc1ccc(N(C)Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c(F)c1 ZINC001592176036 1094017247 /nfs/dbraw/zinc/01/72/47/1094017247.db2.gz SQYSYQXMLCIZCB-UHFFFAOYSA-N -1 3 342.334 2.859 20 5 EFBDHM Cc1ccc(N(C)Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c(F)c1 ZINC001592176036 1094017254 /nfs/dbraw/zinc/01/72/54/1094017254.db2.gz SQYSYQXMLCIZCB-UHFFFAOYSA-N -1 3 342.334 2.859 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(N(C)CCc2cccc(-c3nnn[n-]3)c2)c1 ZINC001592197769 1094025973 /nfs/dbraw/zinc/02/59/73/1094025973.db2.gz QNQWZGBSAYKHJL-UHFFFAOYSA-N -1 3 338.371 2.762 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(N(C)CCc2cccc(-c3nn[n-]n3)c2)c1 ZINC001592197769 1094025980 /nfs/dbraw/zinc/02/59/80/1094025980.db2.gz QNQWZGBSAYKHJL-UHFFFAOYSA-N -1 3 338.371 2.762 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)Oc2ccc(-c3nnn[n-]3)cc2)c1C ZINC001592199192 1094028078 /nfs/dbraw/zinc/02/80/78/1094028078.db2.gz JQUYKCWCENHRCT-UHFFFAOYSA-N -1 3 339.311 2.611 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)c1C ZINC001592199192 1094028086 /nfs/dbraw/zinc/02/80/86/1094028086.db2.gz JQUYKCWCENHRCT-UHFFFAOYSA-N -1 3 339.311 2.611 20 5 EFBDHM Cc1cccc2c1CCN(c1ccc(-c3nnn[n-]3)c([N+](=O)[O-])c1)C2 ZINC001592243998 1094046390 /nfs/dbraw/zinc/04/63/90/1094046390.db2.gz KRJJLZSZLTZBFU-UHFFFAOYSA-N -1 3 336.355 2.646 20 5 EFBDHM Cc1cnc(N(C)[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC001592296018 1094069350 /nfs/dbraw/zinc/06/93/50/1094069350.db2.gz VQMRGYIVNXLFLL-NSHDSACASA-N -1 3 339.359 2.676 20 5 EFBDHM Cc1cnc(N(C)[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC001592296018 1094069358 /nfs/dbraw/zinc/06/93/58/1094069358.db2.gz VQMRGYIVNXLFLL-NSHDSACASA-N -1 3 339.359 2.676 20 5 EFBDHM Cc1nc(Oc2ccc(Cl)cc2[N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001592397152 1094098532 /nfs/dbraw/zinc/09/85/32/1094098532.db2.gz GUNOZCGPMUJNGH-UHFFFAOYSA-N -1 3 332.707 2.924 20 5 EFBDHM Cc1nc(Oc2ccc(Cl)cc2[N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001592397152 1094098539 /nfs/dbraw/zinc/09/85/39/1094098539.db2.gz GUNOZCGPMUJNGH-UHFFFAOYSA-N -1 3 332.707 2.924 20 5 EFBDHM Cc1nnc(S/C=C/c2ccc([N+](=O)[O-])o2)c(-c2nnn[n-]2)c1C ZINC001592449642 1094105722 /nfs/dbraw/zinc/10/57/22/1094105722.db2.gz MIFCEJGWQOQRGW-AATRIKPKSA-N -1 3 345.344 2.538 20 5 EFBDHM Cc1nnc(S/C=C/c2ccc([N+](=O)[O-])o2)c(-c2nn[n-]n2)c1C ZINC001592449642 1094105726 /nfs/dbraw/zinc/10/57/26/1094105726.db2.gz MIFCEJGWQOQRGW-AATRIKPKSA-N -1 3 345.344 2.538 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(NC[C@@H]2C[C@@H]2C2CCCC2)c1-c1nnn[n-]1 ZINC001592758074 1094184131 /nfs/dbraw/zinc/18/41/31/1094184131.db2.gz RSHDZEROVPMERE-WDEREUQCSA-N -1 3 343.391 2.595 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(NC[C@@H]2C[C@@H]2C2CCCC2)c1-c1nn[n-]n1 ZINC001592758074 1094184133 /nfs/dbraw/zinc/18/41/33/1094184133.db2.gz RSHDZEROVPMERE-WDEREUQCSA-N -1 3 343.391 2.595 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(N2CCC3(CCCC3)CC2)c1-c1nnn[n-]1 ZINC001592757831 1094184834 /nfs/dbraw/zinc/18/48/34/1094184834.db2.gz SKHQGWSZJBKEAN-UHFFFAOYSA-N -1 3 343.391 2.518 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(N2CCC3(CCCC3)CC2)c1-c1nn[n-]n1 ZINC001592757831 1094184836 /nfs/dbraw/zinc/18/48/36/1094184836.db2.gz SKHQGWSZJBKEAN-UHFFFAOYSA-N -1 3 343.391 2.518 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(SC[C@@H]2CC[C@@H]3C[C@@H]3C2)c1-c1nnn[n-]1 ZINC001592759304 1094185786 /nfs/dbraw/zinc/18/57/86/1094185786.db2.gz UJJVYACJZDJWCS-BBBLOLIVSA-N -1 3 346.416 2.885 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(SC[C@@H]2CC[C@@H]3C[C@@H]3C2)c1-c1nn[n-]n1 ZINC001592759304 1094185790 /nfs/dbraw/zinc/18/57/90/1094185790.db2.gz UJJVYACJZDJWCS-BBBLOLIVSA-N -1 3 346.416 2.885 20 5 EFBDHM Nc1ccc(NCc2ccc(-c3nnn[n-]3)c(Cl)c2)c([N+](=O)[O-])c1 ZINC001592760564 1094186048 /nfs/dbraw/zinc/18/60/48/1094186048.db2.gz NIPTULLWPIFZPD-UHFFFAOYSA-N -1 3 345.750 2.623 20 5 EFBDHM Nc1ccc(NCc2ccc(-c3nn[n-]n3)c(Cl)c2)c([N+](=O)[O-])c1 ZINC001592760564 1094186050 /nfs/dbraw/zinc/18/60/50/1094186050.db2.gz NIPTULLWPIFZPD-UHFFFAOYSA-N -1 3 345.750 2.623 20 5 EFBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)C1(C2CC2)CC1 ZINC001593201953 1094236486 /nfs/dbraw/zinc/23/64/86/1094236486.db2.gz NZPDPIODACJXPY-UHFFFAOYSA-N -1 3 348.750 2.557 20 5 EFBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)C1(C2CC2)CC1 ZINC001593201953 1094236494 /nfs/dbraw/zinc/23/64/94/1094236494.db2.gz NZPDPIODACJXPY-UHFFFAOYSA-N -1 3 348.750 2.557 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1CN(Cc1ccoc1)C1CC1 ZINC001593466688 1094308802 /nfs/dbraw/zinc/30/88/02/1094308802.db2.gz DOMDZFSLMMBPME-UHFFFAOYSA-N -1 3 340.343 2.533 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1CN(Cc1ccoc1)C1CC1 ZINC001593466688 1094308813 /nfs/dbraw/zinc/30/88/13/1094308813.db2.gz DOMDZFSLMMBPME-UHFFFAOYSA-N -1 3 340.343 2.533 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1Cc2cccc(Cl)c2C1 ZINC001593467474 1094311500 /nfs/dbraw/zinc/31/15/00/1094311500.db2.gz AAJDLBZJZRZYKA-UHFFFAOYSA-N -1 3 342.746 2.949 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1Cc2cccc(Cl)c2C1 ZINC001593467474 1094311508 /nfs/dbraw/zinc/31/15/08/1094311508.db2.gz AAJDLBZJZRZYKA-UHFFFAOYSA-N -1 3 342.746 2.949 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC001593468434 1094311619 /nfs/dbraw/zinc/31/16/19/1094311619.db2.gz NOGCDIKZIAHECI-KCXRBIIJSA-N -1 3 340.387 2.790 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC001593468434 1094311621 /nfs/dbraw/zinc/31/16/21/1094311621.db2.gz NOGCDIKZIAHECI-KCXRBIIJSA-N -1 3 340.387 2.790 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H](C1CCC1)[C@H]1CCCO1 ZINC001593467986 1094311821 /nfs/dbraw/zinc/31/18/21/1094311821.db2.gz HNCWNYXUPTZNJJ-CABCVRRESA-N -1 3 344.375 2.535 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H](C1CCC1)[C@H]1CCCO1 ZINC001593467986 1094311826 /nfs/dbraw/zinc/31/18/26/1094311826.db2.gz HNCWNYXUPTZNJJ-CABCVRRESA-N -1 3 344.375 2.535 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1CC2(C1)CCCCC2 ZINC001593468243 1094311927 /nfs/dbraw/zinc/31/19/27/1094311927.db2.gz BBSIZQGIWOFYGN-UHFFFAOYSA-N -1 3 332.339 2.685 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1CC2(C1)CCCCC2 ZINC001593468243 1094311932 /nfs/dbraw/zinc/31/19/32/1094311932.db2.gz BBSIZQGIWOFYGN-UHFFFAOYSA-N -1 3 332.339 2.685 20 5 EFBDHM O=[N+]([O-])c1cc(CO)c(Sc2ccc(-c3nnn[n-]3)cc2)cc1F ZINC001593472891 1094313583 /nfs/dbraw/zinc/31/35/83/1094313583.db2.gz BXOTUMFOZKIKCT-UHFFFAOYSA-N -1 3 347.331 2.558 20 5 EFBDHM O=[N+]([O-])c1cc(CO)c(Sc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC001593472891 1094313586 /nfs/dbraw/zinc/31/35/86/1094313586.db2.gz BXOTUMFOZKIKCT-UHFFFAOYSA-N -1 3 347.331 2.558 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCc1cccc2cccnc21 ZINC001593471325 1094314627 /nfs/dbraw/zinc/31/46/27/1094314627.db2.gz RWFWCTKIGRKVJY-UHFFFAOYSA-N -1 3 347.338 2.935 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCc1cccc2cccnc21 ZINC001593471325 1094314634 /nfs/dbraw/zinc/31/46/34/1094314634.db2.gz RWFWCTKIGRKVJY-UHFFFAOYSA-N -1 3 347.338 2.935 20 5 EFBDHM O=[N+]([O-])c1cc(N2CCC3(C2)CCCCC3)ccc1-c1nnn[n-]1 ZINC001593471647 1094314758 /nfs/dbraw/zinc/31/47/58/1094314758.db2.gz QWTXBDLELBBDGH-UHFFFAOYSA-N -1 3 328.376 2.936 20 5 EFBDHM O=[N+]([O-])c1cc(F)c(N2Cc3ccc(-c4nnn[n-]4)cc3C2)c(F)c1 ZINC001593471611 1094314982 /nfs/dbraw/zinc/31/49/82/1094314982.db2.gz OZQTUZMINAIEBV-UHFFFAOYSA-N -1 3 344.281 2.573 20 5 EFBDHM O=[N+]([O-])c1cc(F)c(N2Cc3ccc(-c4nn[n-]n4)cc3C2)c(F)c1 ZINC001593471611 1094314991 /nfs/dbraw/zinc/31/49/91/1094314991.db2.gz OZQTUZMINAIEBV-UHFFFAOYSA-N -1 3 344.281 2.573 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC001593471471 1094315658 /nfs/dbraw/zinc/31/56/58/1094315658.db2.gz ROODEDFYZHVEEV-CKYFFXLPSA-N -1 3 329.364 2.551 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC001593471471 1094315665 /nfs/dbraw/zinc/31/56/65/1094315665.db2.gz ROODEDFYZHVEEV-CKYFFXLPSA-N -1 3 329.364 2.551 20 5 EFBDHM O=[N+]([O-])c1cc(NC[C@H]2CCC3(CCC3)CO2)ccc1-c1nnn[n-]1 ZINC001593473495 1094316748 /nfs/dbraw/zinc/31/67/48/1094316748.db2.gz FPKXRWAIUVOEIX-GFCCVEGCSA-N -1 3 344.375 2.536 20 5 EFBDHM O=[N+]([O-])c1cc(NCCc2c(F)cccc2F)ccc1-c1nnn[n-]1 ZINC001593473739 1094317136 /nfs/dbraw/zinc/31/71/36/1094317136.db2.gz KQNLJJSYOYNQHV-UHFFFAOYSA-N -1 3 346.297 2.708 20 5 EFBDHM O=[N+]([O-])c1cc(N[C@H](C2CC2)[C@@H]2CCCCO2)ccc1-c1nnn[n-]1 ZINC001593474568 1094317815 /nfs/dbraw/zinc/31/78/15/1094317815.db2.gz TVULMUABXMFORW-LSDHHAIUSA-N -1 3 344.375 2.535 20 5 EFBDHM O=[N+]([O-])c1cc(NC[C@@H]2CCCC3(CCC3)O2)ccc1-c1nnn[n-]1 ZINC001593473552 1094318122 /nfs/dbraw/zinc/31/81/22/1094318122.db2.gz HSMGJTKKLWLJBY-LBPRGKRZSA-N -1 3 344.375 2.679 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001593474398 1094318587 /nfs/dbraw/zinc/31/85/87/1094318587.db2.gz HKXGXYDLHUPZMS-SECBINFHSA-N -1 3 342.281 2.554 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001593474398 1094318593 /nfs/dbraw/zinc/31/85/93/1094318593.db2.gz HKXGXYDLHUPZMS-SECBINFHSA-N -1 3 342.281 2.554 20 5 EFBDHM O=[N+]([O-])c1cc(N[C@@H](C2CC2)[C@@H]2CCCCO2)ccc1-c1nnn[n-]1 ZINC001593474566 1094319057 /nfs/dbraw/zinc/31/90/57/1094319057.db2.gz TVULMUABXMFORW-GJZGRUSLSA-N -1 3 344.375 2.535 20 5 EFBDHM O=[N+]([O-])c1cc(NCCCc2ccc(O)cc2)ccc1-c1nnn[n-]1 ZINC001593475015 1094320240 /nfs/dbraw/zinc/32/02/40/1094320240.db2.gz XKZVIMCAQSGSGS-UHFFFAOYSA-N -1 3 340.343 2.525 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCC1(C(F)(F)F)CC1 ZINC001593475335 1094320426 /nfs/dbraw/zinc/32/04/26/1094320426.db2.gz OGLDEQMDTLGXDO-UHFFFAOYSA-N -1 3 328.254 2.529 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCC1(C(F)(F)F)CC1 ZINC001593475335 1094320432 /nfs/dbraw/zinc/32/04/32/1094320432.db2.gz OGLDEQMDTLGXDO-UHFFFAOYSA-N -1 3 328.254 2.529 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CCC(c2ccco2)CC1 ZINC001593475007 1094320443 /nfs/dbraw/zinc/32/04/43/1094320443.db2.gz NSDGVINRLDHLGG-UHFFFAOYSA-N -1 3 340.343 2.752 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CCC(c2ccco2)CC1 ZINC001593475007 1094320452 /nfs/dbraw/zinc/32/04/52/1094320452.db2.gz NSDGVINRLDHLGG-UHFFFAOYSA-N -1 3 340.343 2.752 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCCc1ccc(F)cc1 ZINC001593475294 1094321043 /nfs/dbraw/zinc/32/10/43/1094321043.db2.gz OWZWAGWAEMZZCL-UHFFFAOYSA-N -1 3 328.307 2.569 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCCc1ccc(F)cc1 ZINC001593475294 1094321053 /nfs/dbraw/zinc/32/10/53/1094321053.db2.gz OWZWAGWAEMZZCL-UHFFFAOYSA-N -1 3 328.307 2.569 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCc1cccc2cccnc21 ZINC001593475698 1094321309 /nfs/dbraw/zinc/32/13/09/1094321309.db2.gz RYYKBCOQBLCJHS-UHFFFAOYSA-N -1 3 347.338 2.935 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCc1cccc2cccnc21 ZINC001593475698 1094321316 /nfs/dbraw/zinc/32/13/16/1094321316.db2.gz RYYKBCOQBLCJHS-UHFFFAOYSA-N -1 3 347.338 2.935 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCCc1cc(F)ccc1F ZINC001593476108 1094321513 /nfs/dbraw/zinc/32/15/13/1094321513.db2.gz VMCJKFXPFXNBIQ-UHFFFAOYSA-N -1 3 346.297 2.708 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCCc1cc(F)ccc1F ZINC001593476108 1094321516 /nfs/dbraw/zinc/32/15/16/1094321516.db2.gz VMCJKFXPFXNBIQ-UHFFFAOYSA-N -1 3 346.297 2.708 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC[C@@H]1CCC2(CCCC2)O1 ZINC001593480063 1094322217 /nfs/dbraw/zinc/32/22/17/1094322217.db2.gz DNUYZEKYAKFYGC-NSHDSACASA-N -1 3 344.375 2.679 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NC[C@@H]1CCC2(CCCC2)O1 ZINC001593480063 1094322229 /nfs/dbraw/zinc/32/22/29/1094322229.db2.gz DNUYZEKYAKFYGC-NSHDSACASA-N -1 3 344.375 2.679 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CCc3c2cccc3F)c(-c2nnn[n-]2)c1 ZINC001593479021 1094324346 /nfs/dbraw/zinc/32/43/46/1094324346.db2.gz QUCQCQDCINKWBB-UHFFFAOYSA-N -1 3 326.291 2.608 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CCc3c2cccc3F)c(-c2nn[n-]n2)c1 ZINC001593479021 1094324350 /nfs/dbraw/zinc/32/43/50/1094324350.db2.gz QUCQCQDCINKWBB-UHFFFAOYSA-N -1 3 326.291 2.608 20 5 EFBDHM O=[N+]([O-])c1ccc(NCCc2ccc(F)c(F)c2)c(-c2nnn[n-]2)c1 ZINC001593478355 1094324358 /nfs/dbraw/zinc/32/43/58/1094324358.db2.gz CLPZUSPXZRINGD-UHFFFAOYSA-N -1 3 346.297 2.708 20 5 EFBDHM O=[N+]([O-])c1ccc(NCCc2ccc(F)c(F)c2)c(-c2nn[n-]n2)c1 ZINC001593478355 1094324363 /nfs/dbraw/zinc/32/43/63/1094324363.db2.gz CLPZUSPXZRINGD-UHFFFAOYSA-N -1 3 346.297 2.708 20 5 EFBDHM O=[N+]([O-])c1cccc(CCNc2cc(F)ccc2-c2nnn[n-]2)c1 ZINC001593483600 1094325764 /nfs/dbraw/zinc/32/57/64/1094325764.db2.gz XSMFLNPHEHURTB-UHFFFAOYSA-N -1 3 328.307 2.569 20 5 EFBDHM O=[N+]([O-])c1cccc(CCNc2cc(F)ccc2-c2nn[n-]n2)c1 ZINC001593483600 1094325772 /nfs/dbraw/zinc/32/57/72/1094325772.db2.gz XSMFLNPHEHURTB-UHFFFAOYSA-N -1 3 328.307 2.569 20 5 EFBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3C[C@H]4C[C@H]4C3)cc(-c3nnn[n-]3)c2c1 ZINC001593480985 1094327638 /nfs/dbraw/zinc/32/76/38/1094327638.db2.gz TUSXVODBDLGLGA-ILWJIGKKSA-N -1 3 337.343 2.534 20 5 EFBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3C[C@H]4C[C@H]4C3)cc(-c3nn[n-]n3)c2c1 ZINC001593480985 1094327649 /nfs/dbraw/zinc/32/76/49/1094327649.db2.gz TUSXVODBDLGLGA-ILWJIGKKSA-N -1 3 337.343 2.534 20 5 EFBDHM Cc1cc([N+](=O)[O-])ccc1CN[C@](C)(CC(=O)[O-])c1ccncc1 ZINC001600304828 1094956848 /nfs/dbraw/zinc/95/68/48/1094956848.db2.gz OFGHKQPHAFONSP-QGZVFWFLSA-N -1 3 329.356 2.778 20 5 EFBDHM Cc1cc([N+](=O)[O-])ccc1CN[C@@](C)(CC(=O)[O-])c1ccncc1 ZINC001600304827 1094957192 /nfs/dbraw/zinc/95/71/92/1094957192.db2.gz OFGHKQPHAFONSP-KRWDZBQOSA-N -1 3 329.356 2.778 20 5 EFBDHM O=C([O-])[C@H]1CCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1Br ZINC001601810863 1095914840 /nfs/dbraw/zinc/91/48/40/1095914840.db2.gz WWDDCEMEZMEHKR-JQWIXIFHSA-N -1 3 343.177 2.700 20 5 EFBDHM O=C([O-])[C@@H]1CCC[C@@H]1NCc1cccc([N+](=O)[O-])c1Br ZINC001602173573 1096102748 /nfs/dbraw/zinc/10/27/48/1096102748.db2.gz MEKKTQHPDIPYQZ-ZJUUUORDSA-N -1 3 343.177 2.700 20 5 EFBDHM CC(C)(C)c1coc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])n1 ZINC001603120280 1096451656 /nfs/dbraw/zinc/45/16/56/1096451656.db2.gz DEVOACXVSCMWSY-UHFFFAOYSA-N -1 3 343.347 2.673 20 5 EFBDHM CC(C)(C)c1coc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC001603120280 1096451663 /nfs/dbraw/zinc/45/16/63/1096451663.db2.gz DEVOACXVSCMWSY-UHFFFAOYSA-N -1 3 343.347 2.673 20 5 EFBDHM CC(C)(CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1 ZINC001603151251 1096459748 /nfs/dbraw/zinc/45/97/48/1096459748.db2.gz JRHAPVRSTGIFFM-UHFFFAOYSA-N -1 3 339.359 2.560 20 5 EFBDHM CC(C)(CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccccc1 ZINC001603151251 1096459752 /nfs/dbraw/zinc/45/97/52/1096459752.db2.gz JRHAPVRSTGIFFM-UHFFFAOYSA-N -1 3 339.359 2.560 20 5 EFBDHM CC(C)OC1CCC(Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC001603347320 1096510350 /nfs/dbraw/zinc/51/03/50/1096510350.db2.gz OJPUBOVJODXVMB-UHFFFAOYSA-N -1 3 346.391 2.923 20 5 EFBDHM C[C@H](C1CC1)n1cc(Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])cn1 ZINC001603437413 1096527533 /nfs/dbraw/zinc/52/75/33/1096527533.db2.gz XGKCGBQZYYBXRV-SECBINFHSA-N -1 3 340.347 2.686 20 5 EFBDHM C[C@H](C1CC1)n1cc(Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])cn1 ZINC001603437413 1096527542 /nfs/dbraw/zinc/52/75/42/1096527542.db2.gz XGKCGBQZYYBXRV-SECBINFHSA-N -1 3 340.347 2.686 20 5 EFBDHM C[C@@H](C1CC1)n1cc(Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])cn1 ZINC001603437414 1096527966 /nfs/dbraw/zinc/52/79/66/1096527966.db2.gz XGKCGBQZYYBXRV-VIFPVBQESA-N -1 3 340.347 2.686 20 5 EFBDHM C[C@@H](C1CC1)n1cc(Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])cn1 ZINC001603437414 1096527973 /nfs/dbraw/zinc/52/79/73/1096527973.db2.gz XGKCGBQZYYBXRV-VIFPVBQESA-N -1 3 340.347 2.686 20 5 EFBDHM C[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1cc(-c2nnn[n-]2)ccn1 ZINC001603676485 1096587762 /nfs/dbraw/zinc/58/77/62/1096587762.db2.gz FXQBPLYSNAOTEA-WDEREUQCSA-N -1 3 339.359 2.582 20 5 EFBDHM C[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1cc(-c2nn[n-]n2)ccn1 ZINC001603676485 1096587772 /nfs/dbraw/zinc/58/77/72/1096587772.db2.gz FXQBPLYSNAOTEA-WDEREUQCSA-N -1 3 339.359 2.582 20 5 EFBDHM C[C@](O)(CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1CCCCC1 ZINC001603691215 1096591610 /nfs/dbraw/zinc/59/16/10/1096591610.db2.gz WIWVCXFELGNZFA-INIZCTEOSA-N -1 3 346.391 2.518 20 5 EFBDHM C[C@](O)(CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C1CCCCC1 ZINC001603691215 1096591612 /nfs/dbraw/zinc/59/16/12/1096591612.db2.gz WIWVCXFELGNZFA-INIZCTEOSA-N -1 3 346.391 2.518 20 5 EFBDHM CC1(C)C[C@@]1(C)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001603765102 1096617817 /nfs/dbraw/zinc/61/78/17/1096617817.db2.gz MUQKLEDYFRXTIF-MRXNPFEDSA-N -1 3 339.359 2.924 20 5 EFBDHM CC1(C)C[C@@]1(C)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001603765102 1096617823 /nfs/dbraw/zinc/61/78/23/1096617823.db2.gz MUQKLEDYFRXTIF-MRXNPFEDSA-N -1 3 339.359 2.924 20 5 EFBDHM C[C@]1(c2ccccc2)C[C@@H]1Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001603819519 1096635413 /nfs/dbraw/zinc/63/54/13/1096635413.db2.gz PAOKXERXNJHMKQ-DOTOQJQBSA-N -1 3 336.355 2.917 20 5 EFBDHM C[C@]1(c2ccccc2)C[C@@H]1Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001603819519 1096635417 /nfs/dbraw/zinc/63/54/17/1096635417.db2.gz PAOKXERXNJHMKQ-DOTOQJQBSA-N -1 3 336.355 2.917 20 5 EFBDHM C[C@H]1CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])Cc2ccccc21 ZINC001603936863 1096674364 /nfs/dbraw/zinc/67/43/64/1096674364.db2.gz AXJQVXDPJPPLPZ-NSHDSACASA-N -1 3 336.355 2.899 20 5 EFBDHM C[C@H]1CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])Cc2ccccc21 ZINC001603936863 1096674369 /nfs/dbraw/zinc/67/43/69/1096674369.db2.gz AXJQVXDPJPPLPZ-NSHDSACASA-N -1 3 336.355 2.899 20 5 EFBDHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])Cc2ccccc21 ZINC001603940156 1096675614 /nfs/dbraw/zinc/67/56/14/1096675614.db2.gz RDFNPJKWHXMQTM-LLVKDONJSA-N -1 3 336.355 2.899 20 5 EFBDHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])Cc2ccccc21 ZINC001603940156 1096675621 /nfs/dbraw/zinc/67/56/21/1096675621.db2.gz RDFNPJKWHXMQTM-LLVKDONJSA-N -1 3 336.355 2.899 20 5 EFBDHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)[C@H]2CCCC[C@@H]12 ZINC001603938631 1096675872 /nfs/dbraw/zinc/67/58/72/1096675872.db2.gz GAWHQBCNPTUXLN-OSMZGAPFSA-N -1 3 328.376 2.790 20 5 EFBDHM C[C@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC001603940072 1096676067 /nfs/dbraw/zinc/67/60/67/1096676067.db2.gz QNQZJMXXPHSIQL-IUCAKERBSA-N -1 3 338.318 2.502 20 5 EFBDHM C[C@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC001603940072 1096676069 /nfs/dbraw/zinc/67/60/69/1096676069.db2.gz QNQZJMXXPHSIQL-IUCAKERBSA-N -1 3 338.318 2.502 20 5 EFBDHM CC[C@@](C)(NCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(F)(F)F ZINC001603987581 1096688941 /nfs/dbraw/zinc/68/89/41/1096688941.db2.gz QYZBDESSAFYMLI-GFCCVEGCSA-N -1 3 344.297 2.596 20 5 EFBDHM CC[C@@](C)(NCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(F)(F)F ZINC001603987581 1096688943 /nfs/dbraw/zinc/68/89/43/1096688943.db2.gz QYZBDESSAFYMLI-GFCCVEGCSA-N -1 3 344.297 2.596 20 5 EFBDHM CCC[C@H](CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-])OCC ZINC001604143821 1096749580 /nfs/dbraw/zinc/74/95/80/1096749580.db2.gz MCZRNRQJUMZZNL-SECBINFHSA-N -1 3 338.343 2.531 20 5 EFBDHM CCC[C@H](CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-])OCC ZINC001604143821 1096749583 /nfs/dbraw/zinc/74/95/83/1096749583.db2.gz MCZRNRQJUMZZNL-SECBINFHSA-N -1 3 338.343 2.531 20 5 EFBDHM CCCC1(C(=O)OCc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCC1 ZINC001604151769 1096752986 /nfs/dbraw/zinc/75/29/86/1096752986.db2.gz VMIDAYRAGNCHDJ-UHFFFAOYSA-N -1 3 345.359 2.789 20 5 EFBDHM CCCC1(C(=O)OCc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCC1 ZINC001604151769 1096752990 /nfs/dbraw/zinc/75/29/90/1096752990.db2.gz VMIDAYRAGNCHDJ-UHFFFAOYSA-N -1 3 345.359 2.789 20 5 EFBDHM C[C@H](N[C@H](CC(=O)[O-])C1CC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001604322200 1096808974 /nfs/dbraw/zinc/80/89/74/1096808974.db2.gz JOLXABIVNWHXGQ-TVQRCGJNSA-N -1 3 346.343 2.549 20 5 EFBDHM C[C@H](N[C@H]1CCC[C@H]1C(=O)[O-])c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001604331251 1096815392 /nfs/dbraw/zinc/81/53/92/1096815392.db2.gz WFOCDYUBQTZSPM-BIMULSAOSA-N -1 3 346.343 2.549 20 5 EFBDHM C[C@@](NCc1cccc([N+](=O)[O-])c1Br)(C(=O)[O-])C1CC1 ZINC001604346987 1096822581 /nfs/dbraw/zinc/82/25/81/1096822581.db2.gz WNXSTNXHIPTFNV-ZDUSSCGKSA-N -1 3 343.177 2.700 20 5 EFBDHM CCO[C@@H](CCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])C(C)C ZINC001604404442 1096838944 /nfs/dbraw/zinc/83/89/44/1096838944.db2.gz KUEHAXGBPKCBIF-AWEZNQCLSA-N -1 3 334.380 2.638 20 5 EFBDHM CCO[C@@H](CCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])C(C)C ZINC001604404442 1096838951 /nfs/dbraw/zinc/83/89/51/1096838951.db2.gz KUEHAXGBPKCBIF-AWEZNQCLSA-N -1 3 334.380 2.638 20 5 EFBDHM CCSCC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001604481665 1096874860 /nfs/dbraw/zinc/87/48/60/1096874860.db2.gz MEQPEJRWSASQPQ-JTQLQIEISA-N -1 3 336.421 2.743 20 5 EFBDHM CC[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccccn1 ZINC001604500379 1096881743 /nfs/dbraw/zinc/88/17/43/1096881743.db2.gz QMGLWUUGABGWCH-NSHDSACASA-N -1 3 325.332 2.733 20 5 EFBDHM CC[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccccn1 ZINC001604500379 1096881750 /nfs/dbraw/zinc/88/17/50/1096881750.db2.gz QMGLWUUGABGWCH-NSHDSACASA-N -1 3 325.332 2.733 20 5 EFBDHM CCc1cnc(CNc2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)s1 ZINC001604537893 1096898021 /nfs/dbraw/zinc/89/80/21/1096898021.db2.gz ZRNJVEYSEDDIGO-UHFFFAOYSA-N -1 3 345.388 2.714 20 5 EFBDHM CCc1cnc(CNc2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)s1 ZINC001604537893 1096898027 /nfs/dbraw/zinc/89/80/27/1096898027.db2.gz ZRNJVEYSEDDIGO-UHFFFAOYSA-N -1 3 345.388 2.714 20 5 EFBDHM CCc1nc([C@@H](C)Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)cs1 ZINC001604552166 1096901775 /nfs/dbraw/zinc/90/17/75/1096901775.db2.gz IGJZXJQSTONYBP-MRVPVSSYSA-N -1 3 345.388 2.967 20 5 EFBDHM CN(Cc1cc(-c2nnn[n-]2)cs1)c1ccc([N+](=O)[O-])cc1F ZINC001604801020 1096958578 /nfs/dbraw/zinc/95/85/78/1096958578.db2.gz HHGRZPRYNSAJJO-UHFFFAOYSA-N -1 3 334.336 2.612 20 5 EFBDHM CN(Cc1cc(-c2nn[n-]n2)cs1)c1ccc([N+](=O)[O-])cc1F ZINC001604801020 1096958585 /nfs/dbraw/zinc/95/85/85/1096958585.db2.gz HHGRZPRYNSAJJO-UHFFFAOYSA-N -1 3 334.336 2.612 20 5 EFBDHM COCc1ccccc1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001605133413 1097030076 /nfs/dbraw/zinc/03/00/76/1097030076.db2.gz CRCJEVNMIRIXQY-UHFFFAOYSA-N -1 3 340.343 2.533 20 5 EFBDHM COCc1ccccc1CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001605133413 1097030080 /nfs/dbraw/zinc/03/00/80/1097030080.db2.gz CRCJEVNMIRIXQY-UHFFFAOYSA-N -1 3 340.343 2.533 20 5 EFBDHM COc1cc(OCc2ccc(F)c(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC001605236167 1097064510 /nfs/dbraw/zinc/06/45/10/1097064510.db2.gz DIBKMBMXZLKIFD-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1cc(OCc2ccc(F)c(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC001605236167 1097064516 /nfs/dbraw/zinc/06/45/16/1097064516.db2.gz DIBKMBMXZLKIFD-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1ccc(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])cc1F ZINC001605285972 1097082517 /nfs/dbraw/zinc/08/25/17/1097082517.db2.gz QGUNKTQNDZNHSP-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM COc1ccc(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])cc1F ZINC001605285972 1097082521 /nfs/dbraw/zinc/08/25/21/1097082521.db2.gz QGUNKTQNDZNHSP-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM COc1cccc([C@@H](C)Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001605312565 1097091612 /nfs/dbraw/zinc/09/16/12/1097091612.db2.gz GWHCCMOKERERCK-SNVBAGLBSA-N -1 3 340.343 2.957 20 5 EFBDHM COc1cccc([C@@H](C)Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001605312565 1097091620 /nfs/dbraw/zinc/09/16/20/1097091620.db2.gz GWHCCMOKERERCK-SNVBAGLBSA-N -1 3 340.343 2.957 20 5 EFBDHM CSCCCCCNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605377235 1097109581 /nfs/dbraw/zinc/10/95/81/1097109581.db2.gz URCAPSFOKARRCT-UHFFFAOYSA-N -1 3 340.384 2.859 20 5 EFBDHM CSCCCCCNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605377235 1097109583 /nfs/dbraw/zinc/10/95/83/1097109583.db2.gz URCAPSFOKARRCT-UHFFFAOYSA-N -1 3 340.384 2.859 20 5 EFBDHM C[C@@H](Nc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ncccc1F ZINC001605404718 1097119766 /nfs/dbraw/zinc/11/97/66/1097119766.db2.gz GFIGJEHDUMZTKQ-SSDOTTSWSA-N -1 3 347.285 2.621 20 5 EFBDHM C[C@@H](Nc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ncccc1F ZINC001605404718 1097119770 /nfs/dbraw/zinc/11/97/70/1097119770.db2.gz GFIGJEHDUMZTKQ-SSDOTTSWSA-N -1 3 347.285 2.621 20 5 EFBDHM CCN1CCCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)[C@H](C)C1 ZINC001605479159 1097134556 /nfs/dbraw/zinc/13/45/56/1097134556.db2.gz USYJTHRZBJRIJO-SNVBAGLBSA-N -1 3 341.795 2.867 20 5 EFBDHM Cc1c(CN2CCc3ccc(-c4nnn[n-]4)cc32)cccc1[N+](=O)[O-] ZINC001605488091 1097135914 /nfs/dbraw/zinc/13/59/14/1097135914.db2.gz PHDGLPDIGGLWLC-UHFFFAOYSA-N -1 3 336.355 2.646 20 5 EFBDHM Cc1c(CN2CCc3ccc(-c4nn[n-]n4)cc32)cccc1[N+](=O)[O-] ZINC001605488091 1097135917 /nfs/dbraw/zinc/13/59/17/1097135917.db2.gz PHDGLPDIGGLWLC-UHFFFAOYSA-N -1 3 336.355 2.646 20 5 EFBDHM Cc1cc(C)c(-c2nnn[n-]2)c(N[C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC001605636628 1097175100 /nfs/dbraw/zinc/17/51/00/1097175100.db2.gz CLOXBOIAKVKMEP-NSHDSACASA-N -1 3 339.359 2.960 20 5 EFBDHM Cc1cc(C)c(-c2nn[n-]n2)c(N[C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC001605636628 1097175103 /nfs/dbraw/zinc/17/51/03/1097175103.db2.gz CLOXBOIAKVKMEP-NSHDSACASA-N -1 3 339.359 2.960 20 5 EFBDHM Cc1cc(CSc2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)no1 ZINC001605667491 1097187229 /nfs/dbraw/zinc/18/72/29/1097187229.db2.gz SPENPMCAMQIUSU-UHFFFAOYSA-N -1 3 332.345 2.672 20 5 EFBDHM Cc1cc(CSc2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)no1 ZINC001605667491 1097187233 /nfs/dbraw/zinc/18/72/33/1097187233.db2.gz SPENPMCAMQIUSU-UHFFFAOYSA-N -1 3 332.345 2.672 20 5 EFBDHM Cc1cc(Oc2ccc(C=O)cc2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605749779 1097214928 /nfs/dbraw/zinc/21/49/28/1097214928.db2.gz GGIFDGZLKGFXTK-UHFFFAOYSA-N -1 3 325.284 2.688 20 5 EFBDHM Cc1cc(Oc2ccc(C=O)cc2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605749779 1097214933 /nfs/dbraw/zinc/21/49/33/1097214933.db2.gz GGIFDGZLKGFXTK-UHFFFAOYSA-N -1 3 325.284 2.688 20 5 EFBDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC001605792970 1097227132 /nfs/dbraw/zinc/22/71/32/1097227132.db2.gz FKLDDZXOFXIXDJ-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC001605792970 1097227138 /nfs/dbraw/zinc/22/71/38/1097227138.db2.gz FKLDDZXOFXIXDJ-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM Cc1ccc(COc2ccc(-c3nnn[n-]3)c(F)c2)cc1[N+](=O)[O-] ZINC001605858353 1097255809 /nfs/dbraw/zinc/25/58/09/1097255809.db2.gz CMDFKDUUUZENJQ-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1ccc(COc2ccc(-c3nn[n-]n3)c(F)c2)cc1[N+](=O)[O-] ZINC001605858353 1097255814 /nfs/dbraw/zinc/25/58/14/1097255814.db2.gz CMDFKDUUUZENJQ-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1ccc(COC(=O)c2cscc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605858254 1097256156 /nfs/dbraw/zinc/25/61/56/1097256156.db2.gz BKKPISRDYBKNOJ-UHFFFAOYSA-N -1 3 345.340 2.502 20 5 EFBDHM Cc1ccc(COC(=O)c2cscc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605858254 1097256159 /nfs/dbraw/zinc/25/61/59/1097256159.db2.gz BKKPISRDYBKNOJ-UHFFFAOYSA-N -1 3 345.340 2.502 20 5 EFBDHM Cc1ccc(Cl)cc1Oc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605861546 1097256950 /nfs/dbraw/zinc/25/69/50/1097256950.db2.gz RYUKSRWURNXHHD-UHFFFAOYSA-N -1 3 332.707 2.924 20 5 EFBDHM Cc1ccc(Cl)cc1Oc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605861546 1097256953 /nfs/dbraw/zinc/25/69/53/1097256953.db2.gz RYUKSRWURNXHHD-UHFFFAOYSA-N -1 3 332.707 2.924 20 5 EFBDHM Cc1ccc(F)cc1OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605864155 1097258038 /nfs/dbraw/zinc/25/80/38/1097258038.db2.gz PMOZLHAHRZKICT-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1ccc(F)cc1OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605864155 1097258041 /nfs/dbraw/zinc/25/80/41/1097258041.db2.gz PMOZLHAHRZKICT-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1ccc(F)c(CN(C)c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c1 ZINC001605862595 1097258078 /nfs/dbraw/zinc/25/80/78/1097258078.db2.gz UPEAYDOTVNYTJS-UHFFFAOYSA-N -1 3 342.334 2.859 20 5 EFBDHM Cc1ccc(F)c(CN(C)c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c1 ZINC001605862595 1097258081 /nfs/dbraw/zinc/25/80/81/1097258081.db2.gz UPEAYDOTVNYTJS-UHFFFAOYSA-N -1 3 342.334 2.859 20 5 EFBDHM Cc1ccc(F)c(OCc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001605862224 1097258152 /nfs/dbraw/zinc/25/81/52/1097258152.db2.gz CDXAOCUCHJICNH-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1ccc(F)c(OCc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001605862224 1097258156 /nfs/dbraw/zinc/25/81/56/1097258156.db2.gz CDXAOCUCHJICNH-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1ccccc1CCN(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605939467 1097281690 /nfs/dbraw/zinc/28/16/90/1097281690.db2.gz XMRMVJPZYGDLFL-UHFFFAOYSA-N -1 3 338.371 2.762 20 5 EFBDHM Cc1ccccc1CCN(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605939467 1097281694 /nfs/dbraw/zinc/28/16/94/1097281694.db2.gz XMRMVJPZYGDLFL-UHFFFAOYSA-N -1 3 338.371 2.762 20 5 EFBDHM Cc1cnc([C@@H](C)CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])s1 ZINC001605977696 1097290507 /nfs/dbraw/zinc/29/05/07/1097290507.db2.gz HLVKPQZOGGUWNQ-QMMMGPOBSA-N -1 3 345.388 2.755 20 5 EFBDHM Cc1cnc([C@@H](C)CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])s1 ZINC001605977696 1097290511 /nfs/dbraw/zinc/29/05/11/1097290511.db2.gz HLVKPQZOGGUWNQ-QMMMGPOBSA-N -1 3 345.388 2.755 20 5 EFBDHM Cc1ncc(CSCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])o1 ZINC001606089202 1097317000 /nfs/dbraw/zinc/31/70/00/1097317000.db2.gz HOHXQOUPYIRXFD-UHFFFAOYSA-N -1 3 332.345 2.505 20 5 EFBDHM Cc1ncc(CSCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])o1 ZINC001606089202 1097317003 /nfs/dbraw/zinc/31/70/03/1097317003.db2.gz HOHXQOUPYIRXFD-UHFFFAOYSA-N -1 3 332.345 2.505 20 5 EFBDHM COCCN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@H]1CC[C@H](C)C1 ZINC001606890278 1097465970 /nfs/dbraw/zinc/46/59/70/1097465970.db2.gz YTZRVEGXNJDDNJ-WFASDCNBSA-N -1 3 336.388 2.930 20 5 EFBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CCC=CCC1 ZINC001606977260 1097486686 /nfs/dbraw/zinc/48/66/86/1097486686.db2.gz MSNQOWRQERZJEK-UHFFFAOYSA-N -1 3 343.343 2.565 20 5 EFBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CCC=CCC1 ZINC001606977260 1097486687 /nfs/dbraw/zinc/48/66/87/1097486687.db2.gz MSNQOWRQERZJEK-UHFFFAOYSA-N -1 3 343.343 2.565 20 5 EFBDHM O=[N+]([O-])c1cc(N[C@H]2CCCC23CCOCC3)ccc1-c1nnn[n-]1 ZINC001607079336 1097506240 /nfs/dbraw/zinc/50/62/40/1097506240.db2.gz GJPYKFSUASAOFN-AWEZNQCLSA-N -1 3 344.375 2.536 20 5 EFBDHM O=[N+]([O-])c1cc(N2CC[C@H]3CCCC[C@H]3C2)ccc1-c1nnn[n-]1 ZINC001607078770 1097506764 /nfs/dbraw/zinc/50/67/64/1097506764.db2.gz LIWWRQZZNNLXEJ-NEPJUHHUSA-N -1 3 328.376 2.791 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1CSCC[C@H]1CCCO1 ZINC001607079068 1097506896 /nfs/dbraw/zinc/50/68/96/1097506896.db2.gz GKPGWUKEJRXUMP-GFCCVEGCSA-N -1 3 335.389 2.577 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1CSCC[C@H]1CCCO1 ZINC001607079068 1097506902 /nfs/dbraw/zinc/50/69/02/1097506902.db2.gz GKPGWUKEJRXUMP-GFCCVEGCSA-N -1 3 335.389 2.577 20 5 EFBDHM O=[N+]([O-])c1cc(N(CC(F)F)CC2CCC2)ccc1-c1nnn[n-]1 ZINC001607079049 1097507242 /nfs/dbraw/zinc/50/72/42/1097507242.db2.gz VPBVNNIOCZUOCN-UHFFFAOYSA-N -1 3 338.318 2.647 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1CSc1ccc(Cl)nn1 ZINC001607079015 1097507338 /nfs/dbraw/zinc/50/73/38/1097507338.db2.gz FFXNFYOGYFNOTG-UHFFFAOYSA-N -1 3 349.763 2.511 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1CSc1ccc(Cl)nn1 ZINC001607079015 1097507342 /nfs/dbraw/zinc/50/73/42/1097507342.db2.gz FFXNFYOGYFNOTG-UHFFFAOYSA-N -1 3 349.763 2.511 20 5 EFBDHM O=[N+]([O-])c1ccc(CCNc2cc(F)ccc2-c2nnn[n-]2)cc1 ZINC001607081291 1097507918 /nfs/dbraw/zinc/50/79/18/1097507918.db2.gz GPJBISUCPBTVCL-UHFFFAOYSA-N -1 3 328.307 2.569 20 5 EFBDHM O=[N+]([O-])c1ccc(CCNc2cc(F)ccc2-c2nn[n-]n2)cc1 ZINC001607081291 1097507924 /nfs/dbraw/zinc/50/79/24/1097507924.db2.gz GPJBISUCPBTVCL-UHFFFAOYSA-N -1 3 328.307 2.569 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CCCC3(CCCC3)C2)c(-c2nnn[n-]2)c1 ZINC001607081317 1097508680 /nfs/dbraw/zinc/50/86/80/1097508680.db2.gz APWKTDBFCVLSGF-UHFFFAOYSA-N -1 3 328.376 2.936 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CCCC3(CCCC3)C2)c(-c2nn[n-]n2)c1 ZINC001607081317 1097508685 /nfs/dbraw/zinc/50/86/85/1097508685.db2.gz APWKTDBFCVLSGF-UHFFFAOYSA-N -1 3 328.376 2.936 20 5 EFBDHM O=[N+]([O-])c1ccc(OCc2ccc(-c3nnn[n-]3)c(F)c2)cc1F ZINC001607082062 1097508791 /nfs/dbraw/zinc/50/87/91/1097508791.db2.gz IKWVKTWBMJHZGK-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1ccc(OCc2ccc(-c3nn[n-]n3)c(F)c2)cc1F ZINC001607082062 1097508796 /nfs/dbraw/zinc/50/87/96/1097508796.db2.gz IKWVKTWBMJHZGK-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CCC(c3ccco3)CC2)c(-c2nnn[n-]2)c1 ZINC001607081142 1097508805 /nfs/dbraw/zinc/50/88/05/1097508805.db2.gz DPALPOFFSLELPX-UHFFFAOYSA-N -1 3 340.343 2.752 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CCC(c3ccco3)CC2)c(-c2nn[n-]n2)c1 ZINC001607081142 1097508808 /nfs/dbraw/zinc/50/88/08/1097508808.db2.gz DPALPOFFSLELPX-UHFFFAOYSA-N -1 3 340.343 2.752 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1Sc1ccc2n[nH]cc2c1 ZINC001607083161 1097509473 /nfs/dbraw/zinc/50/94/73/1097509473.db2.gz ZAJFBVPHWBSMAT-UHFFFAOYSA-N -1 3 339.340 2.802 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1Sc1ccc2n[nH]cc2c1 ZINC001607083161 1097509478 /nfs/dbraw/zinc/50/94/78/1097509478.db2.gz ZAJFBVPHWBSMAT-UHFFFAOYSA-N -1 3 339.340 2.802 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@H](C2CC2)[C@@H]2CCCCO2)c(-c2nnn[n-]2)c1 ZINC001607082965 1097510158 /nfs/dbraw/zinc/51/01/58/1097510158.db2.gz YJGXEWWURYUXRY-LSDHHAIUSA-N -1 3 344.375 2.535 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@H](C2CC2)[C@@H]2CCCCO2)c(-c2nn[n-]n2)c1 ZINC001607082965 1097510163 /nfs/dbraw/zinc/51/01/63/1097510163.db2.gz YJGXEWWURYUXRY-LSDHHAIUSA-N -1 3 344.375 2.535 20 5 EFBDHM COc1ccc([C@@H](NCc2ccc(C)c([N+](=O)[O-])c2)C(=O)[O-])cc1 ZINC001607234692 1097568666 /nfs/dbraw/zinc/56/86/66/1097568666.db2.gz NCWHMJFISINBBY-MRXNPFEDSA-N -1 3 330.340 2.827 20 5 EFBDHM Cc1c(C(=O)[O-])cc(CN(C)CCc2cccc([N+](=O)[O-])c2)n1C ZINC001607511284 1097646807 /nfs/dbraw/zinc/64/68/07/1097646807.db2.gz OUTHQJGKKQNAKM-UHFFFAOYSA-N -1 3 331.372 2.614 20 5 EFBDHM O=C([O-])C1(NCc2ccc([N+](=O)[O-])cc2Br)CCCC1 ZINC001608576807 1097960451 /nfs/dbraw/zinc/96/04/51/1097960451.db2.gz MFIAYFKDROTUSK-UHFFFAOYSA-N -1 3 343.177 2.844 20 5 EFBDHM CC(C)[C@@]1(C)C[C@H]1C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609090424 1098138630 /nfs/dbraw/zinc/13/86/30/1098138630.db2.gz UHBFQVIDUPIZMD-BLLLJJGKSA-N -1 3 345.359 2.500 20 5 EFBDHM CC(C)[C@@]1(C)C[C@H]1C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609090424 1098138633 /nfs/dbraw/zinc/13/86/33/1098138633.db2.gz UHBFQVIDUPIZMD-BLLLJJGKSA-N -1 3 345.359 2.500 20 5 EFBDHM CC[C@@H](C)n1ncc(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1C ZINC001609187855 1098187367 /nfs/dbraw/zinc/18/73/67/1098187367.db2.gz QTHMFUPFFCITAA-SECBINFHSA-N -1 3 342.363 2.994 20 5 EFBDHM CC[C@@H](C)n1ncc(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1C ZINC001609187855 1098187377 /nfs/dbraw/zinc/18/73/77/1098187377.db2.gz QTHMFUPFFCITAA-SECBINFHSA-N -1 3 342.363 2.994 20 5 EFBDHM CCCCn1ncc(Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c1C ZINC001609211924 1098205008 /nfs/dbraw/zinc/20/50/08/1098205008.db2.gz DWGDMRQPBYVEDG-UHFFFAOYSA-N -1 3 342.363 2.824 20 5 EFBDHM CCCCn1ncc(Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c1C ZINC001609211924 1098205009 /nfs/dbraw/zinc/20/50/09/1098205009.db2.gz DWGDMRQPBYVEDG-UHFFFAOYSA-N -1 3 342.363 2.824 20 5 EFBDHM COc1cc(OCc2ccc(-c3nnn[n-]3)c(F)c2)ccc1[N+](=O)[O-] ZINC001609348056 1098258008 /nfs/dbraw/zinc/25/80/08/1098258008.db2.gz BPNUZACHUYSKKT-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1cc(OCc2ccc(-c3nn[n-]n3)c(F)c2)ccc1[N+](=O)[O-] ZINC001609348056 1098258015 /nfs/dbraw/zinc/25/80/15/1098258015.db2.gz BPNUZACHUYSKKT-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM Cc1ccc(-c2nnn[n-]2)c(Oc2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC001609414413 1098301132 /nfs/dbraw/zinc/30/11/32/1098301132.db2.gz CXJDFOYDDHWGLZ-UHFFFAOYSA-N -1 3 332.707 2.924 20 5 EFBDHM Cc1ccc(-c2nn[n-]n2)c(Oc2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC001609414413 1098301139 /nfs/dbraw/zinc/30/11/39/1098301139.db2.gz CXJDFOYDDHWGLZ-UHFFFAOYSA-N -1 3 332.707 2.924 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(OCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC001609428337 1098314056 /nfs/dbraw/zinc/31/40/56/1098314056.db2.gz WUKJHCLTJRUHIW-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(OCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC001609428337 1098314066 /nfs/dbraw/zinc/31/40/66/1098314066.db2.gz WUKJHCLTJRUHIW-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCc1ccccc1F ZINC001609600448 1098393928 /nfs/dbraw/zinc/39/39/28/1098393928.db2.gz KCEHZRBKOOYPTK-UHFFFAOYSA-N -1 3 328.307 2.569 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCc1ccccc1F ZINC001609600448 1098393935 /nfs/dbraw/zinc/39/39/35/1098393935.db2.gz KCEHZRBKOOYPTK-UHFFFAOYSA-N -1 3 328.307 2.569 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCCc1ccc(F)cc1F ZINC001609601143 1098394640 /nfs/dbraw/zinc/39/46/40/1098394640.db2.gz CEUAEZBEIRZGFP-UHFFFAOYSA-N -1 3 346.297 2.708 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCCc1ccc(F)cc1F ZINC001609601143 1098394644 /nfs/dbraw/zinc/39/46/44/1098394644.db2.gz CEUAEZBEIRZGFP-UHFFFAOYSA-N -1 3 346.297 2.708 20 5 EFBDHM O=[N+]([O-])c1cnc(NCC2CCCCCCC2)c(-c2nnn[n-]2)c1 ZINC001609603585 1098396261 /nfs/dbraw/zinc/39/62/61/1098396261.db2.gz OMBGVFMNXVICND-UHFFFAOYSA-N -1 3 331.380 2.942 20 5 EFBDHM O=[N+]([O-])c1cnc(NCC2CCCCCCC2)c(-c2nn[n-]n2)c1 ZINC001609603585 1098396266 /nfs/dbraw/zinc/39/62/66/1098396266.db2.gz OMBGVFMNXVICND-UHFFFAOYSA-N -1 3 331.380 2.942 20 5 EFBDHM O=[N+]([O-])c1ccc(NCCc2ccc3[nH]ccc3c2)c(-c2nnn[n-]2)c1 ZINC001609601898 1098396612 /nfs/dbraw/zinc/39/66/12/1098396612.db2.gz GVNPSPJKEQJUFZ-UHFFFAOYSA-N -1 3 349.354 2.911 20 5 EFBDHM O=[N+]([O-])c1ccc(NCCc2ccc3[nH]ccc3c2)c(-c2nn[n-]n2)c1 ZINC001609601898 1098396615 /nfs/dbraw/zinc/39/66/15/1098396615.db2.gz GVNPSPJKEQJUFZ-UHFFFAOYSA-N -1 3 349.354 2.911 20 5 EFBDHM O=[N+]([O-])c1cnc(N[C@@H]2CCCc3sccc32)c(-c2nnn[n-]2)c1 ZINC001609603504 1098397001 /nfs/dbraw/zinc/39/70/01/1098397001.db2.gz JBJIFLPUWRSMJB-LLVKDONJSA-N -1 3 343.372 2.721 20 5 EFBDHM O=[N+]([O-])c1cnc(N[C@@H]2CCCc3sccc32)c(-c2nn[n-]n2)c1 ZINC001609603504 1098397008 /nfs/dbraw/zinc/39/70/08/1098397008.db2.gz JBJIFLPUWRSMJB-LLVKDONJSA-N -1 3 343.372 2.721 20 5 EFBDHM C[C@H](NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC001609780318 1098456008 /nfs/dbraw/zinc/45/60/08/1098456008.db2.gz HOCVAHNCFIAAHI-LBPRGKRZSA-N -1 3 330.340 2.909 20 5 EFBDHM C[C@@H](NCc1cccc([N+](=O)[O-])c1)c1ccc(OCC(=O)[O-])cc1 ZINC001609780284 1098456265 /nfs/dbraw/zinc/45/62/65/1098456265.db2.gz GYJIVWHGJOIYDW-GFCCVEGCSA-N -1 3 330.340 2.909 20 5 EFBDHM C[C@@H](NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC001609780317 1098456476 /nfs/dbraw/zinc/45/64/76/1098456476.db2.gz HOCVAHNCFIAAHI-GFCCVEGCSA-N -1 3 330.340 2.909 20 5 EFBDHM O=C([O-])[C@H]1CCC[C@@H]1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001610743376 1098860834 /nfs/dbraw/zinc/86/08/34/1098860834.db2.gz USMLXPBDHQMCAU-KBPBESRZSA-N -1 3 331.328 2.593 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(N(C)CCN(C)C(=O)c2ccccc2[O-])c1 ZINC001105330870 1099083672 /nfs/dbraw/zinc/08/36/72/1099083672.db2.gz GQCORFRQMCWUIM-UHFFFAOYSA-N -1 3 343.383 2.817 20 5 EFBDHM C[C@@H](C(=O)[O-])[C@H](C)NCc1c(Br)cccc1[N+](=O)[O-] ZINC000901447872 1109902791 /nfs/dbraw/zinc/90/27/91/1109902791.db2.gz ZQGHTNVMLQLJPH-SFYZADRCSA-N -1 3 331.166 2.556 20 5 EFBDHM O=[N+]([O-])c1cc(Cl)[n+]([O-])cc1[N-][C@@H](c1ccccn1)C(F)(F)F ZINC001168480045 1111368805 /nfs/dbraw/zinc/36/88/05/1111368805.db2.gz WGWUGUGHBRGDLK-NSHDSACASA-N -1 3 348.668 2.992 20 5 EFBDHM CCN(CCNc1cc(C)c([N+](=O)[O-])cn1)C(=O)c1ccccc1[O-] ZINC001106695042 1111723374 /nfs/dbraw/zinc/72/33/74/1111723374.db2.gz MTCHZARVFGRHIR-UHFFFAOYSA-N -1 3 344.371 2.578 20 5 EFBDHM CCN(CCNc1ncc(C)cc1[N+](=O)[O-])C(=O)c1ccccc1[O-] ZINC001106694792 1111723496 /nfs/dbraw/zinc/72/34/96/1111723496.db2.gz CGNSTWZUTHWFAQ-UHFFFAOYSA-N -1 3 344.371 2.578 20 5 EFBDHM CCCCCC(=O)NCC1=CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001127555493 1112371014 /nfs/dbraw/zinc/37/10/14/1112371014.db2.gz DYIRRPFETKSZTP-UHFFFAOYSA-N -1 3 348.403 2.528 20 5 EFBDHM O=C(NC/C=C/CNc1ccc([N+](=O)[O-])cc1F)c1ccccc1[O-] ZINC001107046577 1120093429 /nfs/dbraw/zinc/09/34/29/1120093429.db2.gz ARGZLQBLWRVCGF-ONEGZZNKSA-N -1 3 345.330 2.838 20 5 EFBDHM O=C(NC/C=C\CNc1ccc([N+](=O)[O-])cc1)c1ccccc1[O-] ZINC001107047690 1120098308 /nfs/dbraw/zinc/09/83/08/1120098308.db2.gz YNLOSVMYVXBYCZ-ARJAWSKDSA-N -1 3 327.340 2.699 20 5 EFBDHM O=C(NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CCCCCC1 ZINC001107076623 1120278853 /nfs/dbraw/zinc/27/88/53/1120278853.db2.gz CLWHQJHOCAGFKX-AATRIKPKSA-N -1 3 348.403 2.750 20 5 EFBDHM CN(C)[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000433383785 282236077 /nfs/dbraw/zinc/23/60/77/282236077.db2.gz UASDZPBBTXRXKT-OAHLLOKOSA-N -1 3 329.356 2.932 20 5 EFBDHM CN(CC(=O)N1CCCc2cccc([O-])c21)c1ccccc1[N+](=O)[O-] ZINC000182931235 529827597 /nfs/dbraw/zinc/82/75/97/529827597.db2.gz BSYYMOHLYPABHY-UHFFFAOYSA-N -1 3 341.367 2.716 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCCOC(C)C)c1C ZINC000181846109 234348434 /nfs/dbraw/zinc/34/84/34/234348434.db2.gz QDJBOVSQMYGOAQ-UHFFFAOYSA-N -1 3 344.433 2.695 20 5 EFBDHM C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])[C@@H](c1ccccc1)N(C)C ZINC000436891456 299248469 /nfs/dbraw/zinc/24/84/69/299248469.db2.gz ISLIROQYVQEZMY-LRDDRELGSA-N -1 3 343.383 2.722 20 5 EFBDHM O=C(Nc1ccc(F)cc1OCC1CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185720251 235731654 /nfs/dbraw/zinc/73/16/54/235731654.db2.gz XAAVDABLYDMYSN-UHFFFAOYSA-N -1 3 347.302 2.876 20 5 EFBDHM NC(=O)[C@H]([N-]c1c(F)cc([N+](=O)[O-])cc1F)c1ccc(F)cc1 ZINC000129674711 223080341 /nfs/dbraw/zinc/08/03/41/223080341.db2.gz GBYZBYHUPYYQGP-GFCCVEGCSA-N -1 3 325.246 2.651 20 5 EFBDHM O=C(Nc1ccc(OC(F)F)c(F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193436710 240108779 /nfs/dbraw/zinc/10/87/79/240108779.db2.gz OUENPVPKOGEHRL-UHFFFAOYSA-N -1 3 343.217 2.688 20 5 EFBDHM Cc1c(Br)ccc([N-]C(=O)c2n[nH]cc2[N+](=O)[O-])c1F ZINC000194793505 240179488 /nfs/dbraw/zinc/17/94/88/240179488.db2.gz MYPQXWXQWWJWCO-UHFFFAOYSA-N -1 3 343.112 2.780 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-]c2c(F)cccc2F)c([N+](=O)[O-])c1 ZINC000022409772 212295449 /nfs/dbraw/zinc/29/54/49/212295449.db2.gz BLOZVHSVTMQAKS-UHFFFAOYSA-N -1 3 344.295 2.682 20 5 EFBDHM Cc1nc(CC(C)C)c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)s1 ZINC000193718064 240279371 /nfs/dbraw/zinc/27/93/71/240279371.db2.gz CPISPZKJQBWVAB-UHFFFAOYSA-N -1 3 336.373 2.911 20 5 EFBDHM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@@H](c1ccccc1)N(C)C ZINC000186477305 296105223 /nfs/dbraw/zinc/10/52/23/296105223.db2.gz OIONZOXLYMBHHJ-PXAZEXFGSA-N -1 3 343.383 2.722 20 5 EFBDHM CCOc1cc([N-]C(=O)c2ccc(C)nn2)c([N+](=O)[O-])cc1OCC ZINC000414735652 244317199 /nfs/dbraw/zinc/31/71/99/244317199.db2.gz FYXBCGFHTMURAY-UHFFFAOYSA-N -1 3 346.343 2.743 20 5 EFBDHM O=C(Nc1cc2c(cn1)CCCC2)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000361203833 284288730 /nfs/dbraw/zinc/28/87/30/284288730.db2.gz SUBOCHLGBSOKOZ-UHFFFAOYSA-N -1 3 337.339 2.997 20 5 EFBDHM O=C(Nc1cnc2c(c1)CCCC2)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000360733095 284390901 /nfs/dbraw/zinc/39/09/01/284390901.db2.gz OTKBSKOLBMZPTP-UHFFFAOYSA-N -1 3 337.339 2.997 20 5 EFBDHM COC(=O)c1cc([N-]C(=O)c2cc(C(C)(C)C)on2)cc([N+](=O)[O-])c1 ZINC000266123109 248112631 /nfs/dbraw/zinc/11/26/31/248112631.db2.gz FKCPZXYFYSAZJM-UHFFFAOYSA-N -1 3 347.327 2.919 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CCC[C@@H](C)CC1 ZINC000442784217 250117169 /nfs/dbraw/zinc/11/71/69/250117169.db2.gz PDLPNZKEDAIOSQ-NEPJUHHUSA-N -1 3 342.417 2.851 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C)CC2)c([N+](=O)[O-])c1 ZINC000442782060 250117748 /nfs/dbraw/zinc/11/77/48/250117748.db2.gz PGHXYPOZMMSORY-NWDGAFQWSA-N -1 3 342.417 2.851 20 5 EFBDHM COC(=O)c1cc([N-]C(=O)c2c(C)onc2C2CC2)cc([N+](=O)[O-])c1 ZINC000449937966 251205965 /nfs/dbraw/zinc/20/59/65/251205965.db2.gz HUJJUUSQYKKHBT-UHFFFAOYSA-N -1 3 345.311 2.808 20 5 EFBDHM CCC1([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000451685670 251648151 /nfs/dbraw/zinc/64/81/51/251648151.db2.gz CKSVWBSOGJWGHL-UHFFFAOYSA-N -1 3 349.206 2.578 20 5 EFBDHM CN(C)CCN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000154093579 224201599 /nfs/dbraw/zinc/20/15/99/224201599.db2.gz XZWLUBJAFLKMOK-UHFFFAOYSA-N -1 3 343.383 2.504 20 5 EFBDHM CS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000117376186 221059646 /nfs/dbraw/zinc/05/96/46/221059646.db2.gz JQXLGBQMBZIOEH-RYUDHWBXSA-N -1 3 344.458 2.856 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCCCC1(C)C ZINC000467132916 256009479 /nfs/dbraw/zinc/00/94/79/256009479.db2.gz BLPHBLVWKARJMU-CQSZACIVSA-N -1 3 342.417 2.851 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCc3occc32)c(F)c1 ZINC000126615370 141368689 /nfs/dbraw/zinc/36/86/89/141368689.db2.gz TYMDJFUEDMMKFP-LBPRGKRZSA-N -1 3 340.332 2.683 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-]C2(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000343470765 142004336 /nfs/dbraw/zinc/00/43/36/142004336.db2.gz YDOKVRUWCUOMNW-UHFFFAOYSA-N -1 3 338.410 2.932 20 5 EFBDHM O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000344434727 142016111 /nfs/dbraw/zinc/01/61/11/142016111.db2.gz DKVKHOGGMWIRLG-CYBMUJFWSA-N -1 3 341.327 2.903 20 5 EFBDHM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nc(C(C)=O)cs1 ZINC000347995404 142305470 /nfs/dbraw/zinc/30/54/70/142305470.db2.gz PZBPNLAQFPEFQM-UHFFFAOYSA-N -1 3 335.341 2.905 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000339111428 144692920 /nfs/dbraw/zinc/69/29/20/144692920.db2.gz WZPFFVGVIWVMPX-NSHDSACASA-N -1 3 342.417 2.708 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CC23CCCCC3)cc1[N+](=O)[O-] ZINC000342508513 145140298 /nfs/dbraw/zinc/14/02/98/145140298.db2.gz UZTBLGSSKYRDRY-LLVKDONJSA-N -1 3 330.431 2.966 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-]C2CCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC000342520827 145142237 /nfs/dbraw/zinc/14/22/37/145142237.db2.gz DRWRTZCAJJUKCJ-UHFFFAOYSA-N -1 3 340.373 2.821 20 5 EFBDHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1cccc([N+](=O)[O-])c1 ZINC000343811657 145300248 /nfs/dbraw/zinc/30/02/48/145300248.db2.gz FRSMUWNLUGIWTN-UHFFFAOYSA-N -1 3 344.277 2.937 20 5 EFBDHM CCCC1(C[N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])CCC1 ZINC000343864950 145312511 /nfs/dbraw/zinc/31/25/11/145312511.db2.gz CGJXYJPKOKKHES-UHFFFAOYSA-N -1 3 342.417 2.852 20 5 EFBDHM O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cc([O-])ccc1Cl ZINC000351105770 146110663 /nfs/dbraw/zinc/11/06/63/146110663.db2.gz GAZUMLFMQMVNQQ-UHFFFAOYSA-N -1 3 346.730 2.760 20 5 EFBDHM C[C@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000352883959 146340104 /nfs/dbraw/zinc/34/01/04/146340104.db2.gz QDRMHTYLGWPGNV-GFCCVEGCSA-N -1 3 348.380 2.535 20 5 EFBDHM COC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CCCCC1 ZINC000356254253 147189903 /nfs/dbraw/zinc/18/99/03/147189903.db2.gz YEVOORSVMFPVRK-UHFFFAOYSA-N -1 3 348.446 2.592 20 5 EFBDHM O=C(Nc1cccc2[nH]c(=O)oc21)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000356826463 147346933 /nfs/dbraw/zinc/34/69/33/147346933.db2.gz ODSMFXJIXYGWAP-UHFFFAOYSA-N -1 3 339.267 2.570 20 5 EFBDHM CCOC(=O)c1cc(C(=O)Nc2ccccc2[O-])cc([N+](=O)[O-])c1 ZINC000358943518 147946307 /nfs/dbraw/zinc/94/63/07/147946307.db2.gz CRGLLNLZMKAOBC-UHFFFAOYSA-N -1 3 330.296 2.729 20 5 EFBDHM COc1cc(CNc2cc3c(cn2)CCCC3)cc([N+](=O)[O-])c1[O-] ZINC000359467347 148093714 /nfs/dbraw/zinc/09/37/14/148093714.db2.gz MICLOHUYMWNHRQ-UHFFFAOYSA-N -1 3 329.356 2.617 20 5 EFBDHM CC[C@@H](C)N[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccco1 ZINC000359549070 148118674 /nfs/dbraw/zinc/11/86/74/148118674.db2.gz VRTQUEYSPJXICX-YPMHNXCESA-N -1 3 347.371 2.753 20 5 EFBDHM CC[C@H](C)N[C@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccco1 ZINC000359549068 148118680 /nfs/dbraw/zinc/11/86/80/148118680.db2.gz VRTQUEYSPJXICX-WCQYABFASA-N -1 3 347.371 2.753 20 5 EFBDHM COC(=O)Cn1ncc([N-]c2nc3ccccc3cc2[N+](=O)[O-])c1C ZINC000359995533 148245243 /nfs/dbraw/zinc/24/52/43/148245243.db2.gz SZYUVNIIFACFMT-UHFFFAOYSA-N -1 3 341.327 2.565 20 5 EFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H]2CCCCS2)c1[N+](=O)[O-] ZINC000359996832 148246054 /nfs/dbraw/zinc/24/60/54/148246054.db2.gz YCAKBLUPUREGAL-GFCCVEGCSA-N -1 3 344.458 2.776 20 5 EFBDHM Cc1[nH]nc(C(=O)[N-]c2nc(-c3ccccc3F)co2)c1[N+](=O)[O-] ZINC000360956953 148500756 /nfs/dbraw/zinc/50/07/56/148500756.db2.gz NQNHCRGRURWNBB-UHFFFAOYSA-N -1 3 331.263 2.673 20 5 EFBDHM COc1cc(CN[C@@H]2CN(C)Cc3ccccc32)c([N+](=O)[O-])cc1[O-] ZINC000374335653 151326039 /nfs/dbraw/zinc/32/60/39/151326039.db2.gz ZUJLWWIUHAYPFF-OAHLLOKOSA-N -1 3 343.383 2.585 20 5 EFBDHM Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])N(C)C)cc1 ZINC000436670619 292254297 /nfs/dbraw/zinc/25/42/97/292254297.db2.gz RCDQREJQEDQFNP-INIZCTEOSA-N -1 3 343.383 2.642 20 5 EFBDHM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cc2c(cn1)OCCC2 ZINC000378625833 152130574 /nfs/dbraw/zinc/13/05/74/152130574.db2.gz UQVGLMXSVNOYBM-UHFFFAOYSA-N -1 3 335.266 2.845 20 5 EFBDHM COCCC(C)(C)C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000190150903 292281437 /nfs/dbraw/zinc/28/14/37/292281437.db2.gz KVTLVAQAEXFWCB-UHFFFAOYSA-N -1 3 344.433 2.553 20 5 EFBDHM CC[C@@H](C)N[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccco1 ZINC000436716629 286786072 /nfs/dbraw/zinc/78/60/72/286786072.db2.gz UKBVSZOTLRUFQY-RISCZKNCSA-N -1 3 347.371 2.753 20 5 EFBDHM C[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@@H](c1ccccc1)N(C)C ZINC000186480492 287000243 /nfs/dbraw/zinc/00/02/43/287000243.db2.gz HZZWMOLTSCZZJE-PXAZEXFGSA-N -1 3 343.383 2.722 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CCCc2occc21 ZINC000126618136 292588339 /nfs/dbraw/zinc/58/83/39/292588339.db2.gz CPZJCTYLZDEMON-LBPRGKRZSA-N -1 3 336.369 2.852 20 5 EFBDHM CCC[C@@H](CC)[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000186712679 265075042 /nfs/dbraw/zinc/07/50/42/265075042.db2.gz BJWPJTISQDHZIV-SECBINFHSA-N -1 3 334.369 2.600 20 5 EFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H]2CCCC2(C)C)cc1[N+](=O)[O-] ZINC000187366299 265097566 /nfs/dbraw/zinc/09/75/66/265097566.db2.gz SHIMIWFYKHRQHZ-LBPRGKRZSA-N -1 3 346.380 2.600 20 5 EFBDHM CCc1ccc([O-])c(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000188469974 265137410 /nfs/dbraw/zinc/13/74/10/265137410.db2.gz FSELVAPUAQWIBM-UHFFFAOYSA-N -1 3 342.351 2.766 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC(C)(C)C(C)C ZINC000189022590 265168574 /nfs/dbraw/zinc/16/85/74/265168574.db2.gz QELOOEYMQBETBS-UHFFFAOYSA-N -1 3 330.406 2.564 20 5 EFBDHM Cc1c(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cnn1C1CCCC1 ZINC000193269313 265321554 /nfs/dbraw/zinc/32/15/54/265321554.db2.gz RZVRMIIGHXKITI-UHFFFAOYSA-N -1 3 331.332 2.568 20 5 EFBDHM CSCCO[N-]C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000280627873 273348334 /nfs/dbraw/zinc/34/83/34/273348334.db2.gz WYIFSWFZQYPBJW-UHFFFAOYSA-N -1 3 337.304 2.612 20 5 EFBDHM COc1cc([N+](=O)[O-])c(C(=O)[N-]OC2CCCC2)cc1SC ZINC000271735900 266052046 /nfs/dbraw/zinc/05/20/46/266052046.db2.gz HRISZBVPCRWRDQ-UHFFFAOYSA-N -1 3 326.374 2.929 20 5 EFBDHM CSCCON=C([O-])Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000280627873 273348332 /nfs/dbraw/zinc/34/83/32/273348332.db2.gz WYIFSWFZQYPBJW-UHFFFAOYSA-N -1 3 337.304 2.612 20 5 EFBDHM Cc1cc(OCC(=O)N2CCCc3cccc([O-])c32)ccc1[N+](=O)[O-] ZINC000280844816 273372967 /nfs/dbraw/zinc/37/29/67/273372967.db2.gz QUEWUOWASJTFKZ-UHFFFAOYSA-N -1 3 342.351 2.967 20 5 EFBDHM CC(C)(C)n1ncnc1[N-]C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000283034710 273658663 /nfs/dbraw/zinc/65/86/63/273658663.db2.gz NKANIXPZCIOHME-UHFFFAOYSA-N -1 3 329.316 2.940 20 5 EFBDHM CCCN(CCN1CCCCC1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000286230463 274158266 /nfs/dbraw/zinc/15/82/66/274158266.db2.gz OAQDUEAJBARHAY-UHFFFAOYSA-N -1 3 335.404 2.639 20 5 EFBDHM C[C@@H]1C[C@@H]1c1cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)n[nH]1 ZINC000287411145 274414774 /nfs/dbraw/zinc/41/47/74/274414774.db2.gz QZKWWQCCNNXYLZ-APPZFPTMSA-N -1 3 326.316 2.570 20 5 EFBDHM CCC[C@]1([N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000287924783 274504729 /nfs/dbraw/zinc/50/47/29/274504729.db2.gz QLQHPZRQIKBTST-AWEZNQCLSA-N -1 3 328.315 2.762 20 5 EFBDHM CCC[C@@]1([N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000287924785 274504770 /nfs/dbraw/zinc/50/47/70/274504770.db2.gz QLQHPZRQIKBTST-CQSZACIVSA-N -1 3 328.315 2.762 20 5 EFBDHM COC(=O)C[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])C1CCCCC1 ZINC000339084681 277064562 /nfs/dbraw/zinc/06/45/62/277064562.db2.gz MFKXHYXVMMYUFL-OAHLLOKOSA-N -1 3 336.388 2.902 20 5 EFBDHM CC1(C)CCCN(CCN=c2[n-]c(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000443963731 278214267 /nfs/dbraw/zinc/21/42/67/278214267.db2.gz OLVLHWBUYFDUES-UHFFFAOYSA-N -1 3 345.403 2.601 20 5 EFBDHM CC(C)(CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000339106977 278607810 /nfs/dbraw/zinc/60/78/10/278607810.db2.gz KGSPIMOOLBWYDN-UHFFFAOYSA-N -1 3 330.381 2.839 20 5 EFBDHM O=[N+]([O-])c1ccccc1N1CCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000186158605 280374812 /nfs/dbraw/zinc/37/48/12/280374812.db2.gz KYHPKHPFTCESFE-UHFFFAOYSA-N -1 3 331.347 2.762 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000065795542 292686087 /nfs/dbraw/zinc/68/60/87/292686087.db2.gz ZPBJWBNEHQKMSY-QWHCGFSZSA-N -1 3 336.344 2.568 20 5 EFBDHM CC(C)(C)n1cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cn1 ZINC000068292371 292701611 /nfs/dbraw/zinc/70/16/11/292701611.db2.gz INOMQYZLIYBELD-UHFFFAOYSA-N -1 3 328.332 2.675 20 5 EFBDHM COCCn1c2ccccc2nc1-c1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000069836316 292711939 /nfs/dbraw/zinc/71/19/39/292711939.db2.gz BDOZCRRDVKYWEF-UHFFFAOYSA-N -1 3 343.339 2.972 20 5 EFBDHM CC(C)(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccs1 ZINC000114498966 292880626 /nfs/dbraw/zinc/88/06/26/292880626.db2.gz KXEFGAMNANFKSA-UHFFFAOYSA-N -1 3 340.426 2.912 20 5 EFBDHM COc1cc(C(=O)[N-]c2nnc(CC(C)C)s2)ccc1[N+](=O)[O-] ZINC000133181931 293249345 /nfs/dbraw/zinc/24/93/45/293249345.db2.gz VOBWBHPJPAQZRT-UHFFFAOYSA-N -1 3 336.373 2.906 20 5 EFBDHM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1cccc(F)c1F ZINC000133501172 293259001 /nfs/dbraw/zinc/25/90/01/293259001.db2.gz IBXKOSCGIGAWFI-UHFFFAOYSA-N -1 3 342.323 2.857 20 5 EFBDHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000134286291 293284448 /nfs/dbraw/zinc/28/44/48/293284448.db2.gz NXOXPEUPRRBCBY-UHFFFAOYSA-N -1 3 347.327 2.503 20 5 EFBDHM O=C([N-]O[C@@H]1CCCCO1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294368495 295155166 /nfs/dbraw/zinc/15/51/66/295155166.db2.gz BETWWISVFYCTLT-LLVKDONJSA-N -1 3 334.250 2.802 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000352128698 295199485 /nfs/dbraw/zinc/19/94/85/295199485.db2.gz ZXLANVYTOZXFEY-SDDRHHMPSA-N -1 3 342.417 2.706 20 5 EFBDHM CCCc1cc(C(=O)[N-]c2cc(C(=O)OC)cc([N+](=O)[O-])c2)no1 ZINC000294984905 295254262 /nfs/dbraw/zinc/25/42/62/295254262.db2.gz OCPAVRTXFLNWHB-UHFFFAOYSA-N -1 3 333.300 2.574 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC(C)(C)c1ccccn1 ZINC000295199882 295281302 /nfs/dbraw/zinc/28/13/02/295281302.db2.gz FEGMPRRDLMQVIQ-UHFFFAOYSA-N -1 3 349.412 2.554 20 5 EFBDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc2O1 ZINC000295737273 295368555 /nfs/dbraw/zinc/36/85/55/295368555.db2.gz NEHQSSBDJSQKQL-DGCLKSJQSA-N -1 3 348.380 2.785 20 5 EFBDHM CCc1[nH]nc(C(=O)[N-]c2nc3c(cccc3OC)s2)c1[N+](=O)[O-] ZINC000171745283 310751498 /nfs/dbraw/zinc/75/14/98/310751498.db2.gz XHGBTFKQDQBYIT-UHFFFAOYSA-N -1 3 347.356 2.751 20 5 EFBDHM O=C(Nc1ccccc1CN1CCSCC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000299428581 311083903 /nfs/dbraw/zinc/08/39/03/311083903.db2.gz MRYCEIUHNWTBMB-UHFFFAOYSA-N -1 3 346.412 2.724 20 5 EFBDHM Cc1nn(C)c(Sc2n[n-]c(-c3ccccc3F)n2)c1[N+](=O)[O-] ZINC000301259277 311127607 /nfs/dbraw/zinc/12/76/07/311127607.db2.gz GIVXZTPNWMXCBF-UHFFFAOYSA-N -1 3 334.336 2.712 20 5 EFBDHM Cc1cc([N+](=O)[O-])ccc1NCCCNC(=O)c1cccc([O-])c1 ZINC000301436993 311137203 /nfs/dbraw/zinc/13/72/03/311137203.db2.gz KFQGSCNISBKEPX-UHFFFAOYSA-N -1 3 329.356 2.841 20 5 EFBDHM O=[N+]([O-])c1cnc(Sc2n[n-]c(-c3ccc(Cl)cc3)n2)nc1 ZINC000302172017 311182186 /nfs/dbraw/zinc/18/21/86/311182186.db2.gz VDGGSVQPUMNCQB-UHFFFAOYSA-N -1 3 334.748 2.975 20 5 EFBDHM O=C([O-])c1ccc2c(c1)CN(CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000325222939 311242820 /nfs/dbraw/zinc/24/28/20/311242820.db2.gz BZQJAFHNMANKES-UHFFFAOYSA-N -1 3 326.352 2.894 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1C(=O)N1CCCc2cccc([O-])c21 ZINC000325826228 311243681 /nfs/dbraw/zinc/24/36/81/311243681.db2.gz SPGPTLVONGMLHC-UHFFFAOYSA-N -1 3 328.324 2.902 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C1CCC(F)(F)CC1 ZINC000330525462 311320448 /nfs/dbraw/zinc/32/04/48/311320448.db2.gz JTVABRAHKUTSOH-UHFFFAOYSA-N -1 3 334.344 2.759 20 5 EFBDHM COc1ccc(-c2nc(-c3ccc4n[n-]nc4c3)no2)cc1[N+](=O)[O-] ZINC000350480457 311800656 /nfs/dbraw/zinc/80/06/56/311800656.db2.gz ITGODAMLUFOQIU-UHFFFAOYSA-N -1 3 338.283 2.592 20 5 EFBDHM COc1cc(CN[C@@H]2COCc3ccccc32)c([N+](=O)[O-])cc1[O-] ZINC000418099898 312325542 /nfs/dbraw/zinc/32/55/42/312325542.db2.gz OHVWMRCCLAZKIT-CQSZACIVSA-N -1 3 330.340 2.670 20 5 EFBDHM CN(C)CCN(Cc1ccsc1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000458225156 313087312 /nfs/dbraw/zinc/08/73/12/313087312.db2.gz PDZXZVILBMFKBA-UHFFFAOYSA-N -1 3 349.412 2.566 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CCCCC2)c(F)c1 ZINC000462500794 313115572 /nfs/dbraw/zinc/11/55/72/313115572.db2.gz JLFWQZBKPOLBGY-GXTWGEPZSA-N -1 3 342.392 2.981 20 5 EFBDHM O=C(/C=C/c1cncc([O-])c1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000492518719 314021863 /nfs/dbraw/zinc/02/18/63/314021863.db2.gz HUBCRXOBLHWDHP-DAFODLJHSA-N -1 3 333.731 2.678 20 5 EFBDHM O=C(/C=C\c1cncc([O-])c1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000492566132 314039705 /nfs/dbraw/zinc/03/97/05/314039705.db2.gz MXGHKSYDYWDURC-RJRFIUFISA-N -1 3 333.731 2.678 20 5 EFBDHM CCOC(=O)Nc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000495508704 314736064 /nfs/dbraw/zinc/73/60/64/314736064.db2.gz CRSWYZMQRYPLOQ-UHFFFAOYSA-N -1 3 346.299 2.516 20 5 EFBDHM CNC(=O)Oc1cccc(NCc2cc(OC)c([O-])cc2[N+](=O)[O-])c1 ZINC000496513024 315094624 /nfs/dbraw/zinc/09/46/24/315094624.db2.gz MVZMQUGMFMUAHK-UHFFFAOYSA-N -1 3 347.327 2.639 20 5 EFBDHM CC[C@@](C)([N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)C(F)(F)F ZINC000515451064 315618799 /nfs/dbraw/zinc/61/87/99/315618799.db2.gz YINKAAOFFLHGJS-LLVKDONJSA-N -1 3 340.323 2.913 20 5 EFBDHM C[C@H](Cc1ccsc1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000516148161 315656345 /nfs/dbraw/zinc/65/63/45/315656345.db2.gz YZZLFKXCHAKRNT-SNVBAGLBSA-N -1 3 326.399 2.566 20 5 EFBDHM C[C@@H](Cc1ccsc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000516550218 315684455 /nfs/dbraw/zinc/68/44/55/315684455.db2.gz GRDYTHGNBPIVON-VIFPVBQESA-N -1 3 344.389 2.705 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CCc2ccc(F)cc21 ZINC000521665769 316038850 /nfs/dbraw/zinc/03/88/50/316038850.db2.gz IZUQNNGSLXBRNI-ZDUSSCGKSA-N -1 3 336.344 2.700 20 5 EFBDHM O=C(c1ccc([N+](=O)[O-])[n-]1)N(CCN1CCCC1)c1ccccc1 ZINC000523538180 316129189 /nfs/dbraw/zinc/12/91/89/316129189.db2.gz UYMGJLPPJZTQRX-UHFFFAOYSA-N -1 3 328.372 2.666 20 5 EFBDHM CCc1ccc([O-])c(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000524638210 316163845 /nfs/dbraw/zinc/16/38/45/316163845.db2.gz IDDUGDNTFOMLGI-UHFFFAOYSA-N -1 3 330.340 2.672 20 5 EFBDHM COc1c(F)cc(S(=O)(=O)[N-]CCCC(C)(C)C)cc1[N+](=O)[O-] ZINC000548620927 318125041 /nfs/dbraw/zinc/12/50/41/318125041.db2.gz RDENRHYDPJLDGI-UHFFFAOYSA-N -1 3 348.396 2.847 20 5 EFBDHM O=C(N=c1cc2ccccn2[n-]1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000548763257 318141086 /nfs/dbraw/zinc/14/10/86/318141086.db2.gz IXKXVDRAVAXVGT-UHFFFAOYSA-N -1 3 345.746 2.640 20 5 EFBDHM CSc1ccc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000548781582 318142971 /nfs/dbraw/zinc/14/29/71/318142971.db2.gz CCXKAGPORVRUCM-UHFFFAOYSA-N -1 3 339.398 2.654 20 5 EFBDHM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N=c1cc2ccccn2[n-]1 ZINC000552989711 318267361 /nfs/dbraw/zinc/26/73/61/318267361.db2.gz HHAMVOGBYSQTLZ-AWEZNQCLSA-N -1 3 338.367 2.872 20 5 EFBDHM O=c1[n-]cnc2c1CCN(c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C2 ZINC000553494203 318285272 /nfs/dbraw/zinc/28/52/72/318285272.db2.gz LHSOLTVHANRSJL-UHFFFAOYSA-N -1 3 341.154 2.960 20 5 EFBDHM CN(C)C1(CN(C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCC1 ZINC000563191276 318751450 /nfs/dbraw/zinc/75/14/50/318751450.db2.gz ASEGZPYPTXMFMT-UHFFFAOYSA-N -1 3 341.795 2.510 20 5 EFBDHM O=C([O-])[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000566219638 319048189 /nfs/dbraw/zinc/04/81/89/319048189.db2.gz GIYPQXLSLIXJDB-DLBZAZTESA-N -1 3 326.352 2.895 20 5 EFBDHM COC(=O)c1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3C)no2)[n-]1 ZINC000581979674 324491627 /nfs/dbraw/zinc/49/16/27/324491627.db2.gz LPQLHKGGOBNAQW-UHFFFAOYSA-N -1 3 328.284 2.735 20 5 EFBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCCN(C)Cc2ccccc2)n1 ZINC000515485898 448319841 /nfs/dbraw/zinc/31/98/41/448319841.db2.gz CHPQOKAROIHKAR-UHFFFAOYSA-N -1 3 344.371 2.540 20 5 EFBDHM CCc1cnccc1C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000095466073 473209965 /nfs/dbraw/zinc/20/99/65/473209965.db2.gz ZKLNOHPCXHVERS-UHFFFAOYSA-N -1 3 349.412 2.648 20 5 EFBDHM O=C([N-]c1nc(-c2ccccc2F)cs1)c1n[nH]cc1[N+](=O)[O-] ZINC000137919560 473213796 /nfs/dbraw/zinc/21/37/96/473213796.db2.gz VKRIBFPWSYVNAP-UHFFFAOYSA-N -1 3 333.304 2.833 20 5 EFBDHM CN(C)CCN(Cc1ccccc1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000161694697 473253361 /nfs/dbraw/zinc/25/33/61/473253361.db2.gz NPVPKGQRVLNGOK-UHFFFAOYSA-N -1 3 343.383 2.504 20 5 EFBDHM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccncc1 ZINC000124541068 473259897 /nfs/dbraw/zinc/25/98/97/473259897.db2.gz CKACCXHDZPZYCZ-NSHDSACASA-N -1 3 341.414 2.789 20 5 EFBDHM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccncc1 ZINC000124541310 473260545 /nfs/dbraw/zinc/26/05/45/473260545.db2.gz CKACCXHDZPZYCZ-LLVKDONJSA-N -1 3 341.414 2.789 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC1(c2ccccc2)CC1 ZINC000011901480 471761788 /nfs/dbraw/zinc/76/17/88/471761788.db2.gz XKOOIARHADGKDT-UHFFFAOYSA-N -1 3 332.381 2.605 20 5 EFBDHM O=C(Nc1ccc(OC(F)F)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000016494834 471938817 /nfs/dbraw/zinc/93/88/17/471938817.db2.gz VDSUUZMEPQZXIJ-UHFFFAOYSA-N -1 3 325.227 2.549 20 5 EFBDHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000055222754 472155688 /nfs/dbraw/zinc/15/56/88/472155688.db2.gz LCIBXJAMBSIFOI-UHFFFAOYSA-N -1 3 343.339 2.531 20 5 EFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCc1cccs1 ZINC000029940200 472306214 /nfs/dbraw/zinc/30/62/14/472306214.db2.gz KSHKTOJIKDLEIC-UHFFFAOYSA-N -1 3 346.817 2.831 20 5 EFBDHM COC(=O)c1cc([N-]C(=O)c2csc([N+](=O)[O-])c2)c(F)cc1F ZINC000044466420 472308124 /nfs/dbraw/zinc/30/81/24/472308124.db2.gz NNJRANRPCDNJSR-UHFFFAOYSA-N -1 3 342.279 2.973 20 5 EFBDHM COc1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c(OC)c1 ZINC000044653347 472328382 /nfs/dbraw/zinc/32/83/82/472328382.db2.gz NQTZSAHDGLRXSZ-UHFFFAOYSA-N -1 3 342.311 2.741 20 5 EFBDHM Cc1ccc2c(c1)CC[C@@H]2[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000057019649 472375164 /nfs/dbraw/zinc/37/51/64/472375164.db2.gz OQAIYDPYBOUPQJ-AWEZNQCLSA-N -1 3 332.381 2.869 20 5 EFBDHM O=C(NCc1ccc([O-])c(F)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088578625 472375263 /nfs/dbraw/zinc/37/52/63/472375263.db2.gz LGZKBQBJEXTIEC-UHFFFAOYSA-N -1 3 345.330 2.707 20 5 EFBDHM O=C(Nc1ncccc1[O-])C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000069741786 472416458 /nfs/dbraw/zinc/41/64/58/472416458.db2.gz IYSDASMLKUXGLT-UHFFFAOYSA-N -1 3 342.355 2.551 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)Cc2cccs2)c([N+](=O)[O-])c1 ZINC000101571294 472540170 /nfs/dbraw/zinc/54/01/70/472540170.db2.gz BWTOIZLITDVYNK-NSHDSACASA-N -1 3 340.426 2.874 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cc3ccccc3[nH]2)c(F)c1 ZINC000101575755 472542046 /nfs/dbraw/zinc/54/20/46/472542046.db2.gz FGVPOFJVHODXTA-UHFFFAOYSA-N -1 3 349.343 2.694 20 5 EFBDHM C[C@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000077617287 472567297 /nfs/dbraw/zinc/56/72/97/472567297.db2.gz SDAYMOGQDSUJLQ-IINYFYTJSA-N -1 3 336.369 2.790 20 5 EFBDHM CCCCn1nccc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000120069004 472626005 /nfs/dbraw/zinc/62/60/05/472626005.db2.gz SUJMXPJPMHETNG-UHFFFAOYSA-N -1 3 328.332 2.720 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCOCC(C)C)cc1C ZINC000060497974 472661193 /nfs/dbraw/zinc/66/11/93/472661193.db2.gz VNMZGDZTNCEUAA-UHFFFAOYSA-N -1 3 344.433 2.553 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(C3CC3)CCC2)c(F)c1 ZINC000157460276 472822614 /nfs/dbraw/zinc/82/26/14/472822614.db2.gz KCNCWGGFWCOFPP-UHFFFAOYSA-N -1 3 328.365 2.593 20 5 EFBDHM CN(C)CCN(Cc1cccs1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000158144909 472898592 /nfs/dbraw/zinc/89/85/92/472898592.db2.gz HYNXRJGXKVWMKT-UHFFFAOYSA-N -1 3 349.412 2.566 20 5 EFBDHM Cc1ccc(NCCCNC(=O)c2cccc([O-])c2)c([N+](=O)[O-])c1 ZINC000080610814 473056576 /nfs/dbraw/zinc/05/65/76/473056576.db2.gz SKAUEIBUKDFUBH-UHFFFAOYSA-N -1 3 329.356 2.841 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-]CCc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000122892907 473069622 /nfs/dbraw/zinc/06/96/22/473069622.db2.gz ONNCHDIYMUXNOO-UHFFFAOYSA-N -1 3 344.389 2.625 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-]Cc2ccc(F)c(C)c2)cc1[N+](=O)[O-] ZINC000122931310 473075377 /nfs/dbraw/zinc/07/53/77/473075377.db2.gz VAERFMFAKICJTC-UHFFFAOYSA-N -1 3 344.389 2.891 20 5 EFBDHM Cc1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)s1 ZINC000123200268 473110234 /nfs/dbraw/zinc/11/02/34/473110234.db2.gz UBWRLIGHOFOVEY-UHFFFAOYSA-N -1 3 332.428 2.813 20 5 EFBDHM Cc1cc(Br)cnc1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC000123235768 473114898 /nfs/dbraw/zinc/11/48/98/473114898.db2.gz KKQOGJZEOZFSBI-UHFFFAOYSA-N -1 3 326.106 2.906 20 5 EFBDHM Cc1ccc(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)c([O-])c1 ZINC000109984147 473137611 /nfs/dbraw/zinc/13/76/11/473137611.db2.gz XYABMHALHHCKIH-UHFFFAOYSA-N -1 3 339.307 2.703 20 5 EFBDHM COc1ccccc1-c1nc([N-]C(=O)c2csc([N+](=O)[O-])c2)n[nH]1 ZINC000052779201 473146414 /nfs/dbraw/zinc/14/64/14/473146414.db2.gz LLWLJHZXYYGKSP-UHFFFAOYSA-N -1 3 345.340 2.702 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-]CC2(C3CC3)CCC2)cc1[N+](=O)[O-] ZINC000125707587 473449205 /nfs/dbraw/zinc/44/92/05/473449205.db2.gz RJIRPLODTWDYEJ-UHFFFAOYSA-N -1 3 330.431 2.823 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCC[C@@H]1CCCCO1 ZINC000186170615 473607414 /nfs/dbraw/zinc/60/74/14/473607414.db2.gz ODODRIOEGZYUHC-ZDUSSCGKSA-N -1 3 342.417 2.531 20 5 EFBDHM CSCCc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000170804182 473618071 /nfs/dbraw/zinc/61/80/71/473618071.db2.gz BTKXULMRZCYELQ-UHFFFAOYSA-N -1 3 333.369 2.853 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3cc([O-])cc(F)c3)C2)nc1 ZINC000186234969 473624640 /nfs/dbraw/zinc/62/46/40/473624640.db2.gz PNZWFCUMHQJLIR-CYBMUJFWSA-N -1 3 332.335 2.521 20 5 EFBDHM COc1ccc(C(=O)N2CCCc3cccc([O-])c32)cc1[N+](=O)[O-] ZINC000170873000 473636645 /nfs/dbraw/zinc/63/66/45/473636645.db2.gz RZIZGAZWRNMMJG-UHFFFAOYSA-N -1 3 328.324 2.902 20 5 EFBDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000186317978 473647252 /nfs/dbraw/zinc/64/72/52/473647252.db2.gz VWTDUTKNMMQTGO-LLVKDONJSA-N -1 3 344.371 2.736 20 5 EFBDHM CC(C)Oc1ccc(N(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000192266518 473659618 /nfs/dbraw/zinc/65/96/18/473659618.db2.gz CIRKHVILEWVELG-UHFFFAOYSA-N -1 3 331.328 2.759 20 5 EFBDHM CC(C)[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC000262721880 473715593 /nfs/dbraw/zinc/71/55/93/473715593.db2.gz WDRPUMFGRKTGLS-CYBMUJFWSA-N -1 3 335.385 2.917 20 5 EFBDHM COC(=O)c1cccc2nc(NC(=O)c3csc([N+](=O)[O-])c3)[n-]c21 ZINC000179776999 473724841 /nfs/dbraw/zinc/72/48/41/473724841.db2.gz DIMVMJVXLZRUOE-UHFFFAOYSA-N -1 3 346.324 2.572 20 5 EFBDHM COC(=O)c1cccc2[n-]c(NC(=O)c3csc([N+](=O)[O-])c3)nc21 ZINC000179776999 473724852 /nfs/dbraw/zinc/72/48/52/473724852.db2.gz DIMVMJVXLZRUOE-UHFFFAOYSA-N -1 3 346.324 2.572 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2F)cc1[N+](=O)[O-] ZINC000180018493 473778995 /nfs/dbraw/zinc/77/89/95/473778995.db2.gz VLWKQGRYJQKVRD-UHFFFAOYSA-N -1 3 340.332 2.852 20 5 EFBDHM CCN(C(=O)c1[n-]nc2ccc([N+](=O)[O-])cc21)c1nc(C)cs1 ZINC000173251479 473781428 /nfs/dbraw/zinc/78/14/28/473781428.db2.gz MGMKHTQEPQQFRN-UHFFFAOYSA-N -1 3 331.357 2.903 20 5 EFBDHM CCN(C(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21)c1nc(C)cs1 ZINC000173251479 473781434 /nfs/dbraw/zinc/78/14/34/473781434.db2.gz MGMKHTQEPQQFRN-UHFFFAOYSA-N -1 3 331.357 2.903 20 5 EFBDHM O=C(Nc1cccc(-c2cnco2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186979584 473793219 /nfs/dbraw/zinc/79/32/19/473793219.db2.gz BVJKHMSGTZBIKH-UHFFFAOYSA-N -1 3 326.268 2.603 20 5 EFBDHM CC(C)[C@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccccc2N1 ZINC000193652819 473798563 /nfs/dbraw/zinc/79/85/63/473798563.db2.gz AMBZBMQUMMRRNA-CYBMUJFWSA-N -1 3 342.355 2.792 20 5 EFBDHM C[C@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])Cc1cccs1 ZINC000173445589 473840757 /nfs/dbraw/zinc/84/07/57/473840757.db2.gz PNOMVZZVOVDJLO-NSHDSACASA-N -1 3 340.426 2.813 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C1CC1)C(F)(F)F ZINC000288240092 473883617 /nfs/dbraw/zinc/88/36/17/473883617.db2.gz AMKAAGITGWIDGL-NSHDSACASA-N -1 3 338.307 2.522 20 5 EFBDHM COC(=O)c1cc([N-]C(=O)c2coc(C3CCC3)n2)cc([N+](=O)[O-])c1 ZINC000194394303 473891001 /nfs/dbraw/zinc/89/10/01/473891001.db2.gz WOBJZMRKEFUJDF-UHFFFAOYSA-N -1 3 345.311 2.889 20 5 EFBDHM Cc1nc(C)c(CCC(=O)Nc2c(C)c([N+](=O)[O-])ccc2F)c(=O)[n-]1 ZINC000282216177 473984631 /nfs/dbraw/zinc/98/46/31/473984631.db2.gz GYMOHUMPISHIOW-UHFFFAOYSA-N -1 3 348.334 2.726 20 5 EFBDHM O=C(c1cccc2[n-]nnc21)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000188595268 474137161 /nfs/dbraw/zinc/13/71/61/474137161.db2.gz RACHFCKAOQPRPG-UHFFFAOYSA-N -1 3 337.339 2.671 20 5 EFBDHM O=C(c1cccc2nn[n-]c21)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000188595268 474137169 /nfs/dbraw/zinc/13/71/69/474137169.db2.gz RACHFCKAOQPRPG-UHFFFAOYSA-N -1 3 337.339 2.671 20 5 EFBDHM O=C(c1cccc2n[n-]nc21)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000188595268 474137174 /nfs/dbraw/zinc/13/71/74/474137174.db2.gz RACHFCKAOQPRPG-UHFFFAOYSA-N -1 3 337.339 2.671 20 5 EFBDHM O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCc1ccc([O-])c(F)c1 ZINC000175368611 474200246 /nfs/dbraw/zinc/20/02/46/474200246.db2.gz DPQILKQDMNHARC-UHFFFAOYSA-N -1 3 347.346 2.948 20 5 EFBDHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)s1 ZINC000175622896 474266001 /nfs/dbraw/zinc/26/60/01/474266001.db2.gz NMDYVYZXTUMGQM-JTQLQIEISA-N -1 3 341.414 2.708 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CC(C)(C)OC1(C)C ZINC000183308538 474371764 /nfs/dbraw/zinc/37/17/64/474371764.db2.gz YTMMNHBEBJQTEG-GFCCVEGCSA-N -1 3 342.417 2.528 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000276097092 474416488 /nfs/dbraw/zinc/41/64/88/474416488.db2.gz RNOXYQUZAUIAAT-UHFFFAOYSA-N -1 3 341.367 2.571 20 5 EFBDHM CCN(c1cccc([O-])c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000190358354 474585975 /nfs/dbraw/zinc/58/59/75/474585975.db2.gz LHNPXBDWBXXDNH-UHFFFAOYSA-N -1 3 336.369 2.824 20 5 EFBDHM CCC[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000609196925 480124720 /nfs/dbraw/zinc/12/47/20/480124720.db2.gz CEQVHLBNXPQPJC-ZDUSSCGKSA-N -1 3 335.385 2.810 20 5 EFBDHM CCSCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000337207720 474783964 /nfs/dbraw/zinc/78/39/64/474783964.db2.gz PCTOKZWAZQIJLB-UHFFFAOYSA-N -1 3 338.838 2.670 20 5 EFBDHM CCSCCC[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000337255460 474830562 /nfs/dbraw/zinc/83/05/62/474830562.db2.gz SUJOIWGOQLSDRD-UHFFFAOYSA-N -1 3 332.447 2.633 20 5 EFBDHM CN(c1ccc([O-])cc1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000314203926 474860074 /nfs/dbraw/zinc/86/00/74/474860074.db2.gz QOTOCZIRMCSCAW-UHFFFAOYSA-N -1 3 342.760 2.779 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-]C[C@H]2CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000339111426 474937373 /nfs/dbraw/zinc/93/73/73/474937373.db2.gz WZPFFVGVIWVMPX-LLVKDONJSA-N -1 3 342.417 2.708 20 5 EFBDHM Cc1c(Cl)cc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2F)cc1[N+](=O)[O-] ZINC000339119659 474945241 /nfs/dbraw/zinc/94/52/41/474945241.db2.gz NHYOFUJQXFCMLQ-QWRGUYRKSA-N -1 3 336.772 2.726 20 5 EFBDHM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1snnc1C1CC1 ZINC000292343880 474972168 /nfs/dbraw/zinc/97/21/68/474972168.db2.gz OYJCXHOQXDWUHA-UHFFFAOYSA-N -1 3 334.357 2.975 20 5 EFBDHM O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1cc(F)cc2nn[n-]c21 ZINC000337399864 474979053 /nfs/dbraw/zinc/97/90/53/474979053.db2.gz KUSBEXMAUXUYSY-UHFFFAOYSA-N -1 3 349.709 2.589 20 5 EFBDHM O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1cc(F)cc2[n-]nnc21 ZINC000337399864 474979056 /nfs/dbraw/zinc/97/90/56/474979056.db2.gz KUSBEXMAUXUYSY-UHFFFAOYSA-N -1 3 349.709 2.589 20 5 EFBDHM O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1cc(F)cc2n[n-]nc21 ZINC000337399864 474979062 /nfs/dbraw/zinc/97/90/62/474979062.db2.gz KUSBEXMAUXUYSY-UHFFFAOYSA-N -1 3 349.709 2.589 20 5 EFBDHM Cc1ccc([C@@H](C)NC(=O)c2cc(F)cc3nn[n-]c32)cc1[N+](=O)[O-] ZINC000337425899 475006110 /nfs/dbraw/zinc/00/61/10/475006110.db2.gz YTDBIWYRHSRGOV-SECBINFHSA-N -1 3 343.318 2.805 20 5 EFBDHM Cc1ccc([C@@H](C)NC(=O)c2cc(F)cc3[n-]nnc32)cc1[N+](=O)[O-] ZINC000337425899 475006119 /nfs/dbraw/zinc/00/61/19/475006119.db2.gz YTDBIWYRHSRGOV-SECBINFHSA-N -1 3 343.318 2.805 20 5 EFBDHM Cc1ccc([C@@H](C)NC(=O)c2cc(F)cc3n[n-]nc32)cc1[N+](=O)[O-] ZINC000337425899 475006125 /nfs/dbraw/zinc/00/61/25/475006125.db2.gz YTDBIWYRHSRGOV-SECBINFHSA-N -1 3 343.318 2.805 20 5 EFBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000339189436 475022039 /nfs/dbraw/zinc/02/20/39/475022039.db2.gz PPNHUSCVRAEFAA-FUHWJXTLSA-N -1 3 342.395 2.898 20 5 EFBDHM Cc1ccc(-n2cc(C(=O)[N-]c3ccc([N+](=O)[O-])cc3F)nn2)cc1 ZINC000339193705 475025118 /nfs/dbraw/zinc/02/51/18/475025118.db2.gz FUIZRFIIEOLQOP-UHFFFAOYSA-N -1 3 341.302 2.875 20 5 EFBDHM COc1ccc(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)cc1[N+](=O)[O-] ZINC000345423748 475181293 /nfs/dbraw/zinc/18/12/93/475181293.db2.gz DYTOSPQOWDYSSW-UHFFFAOYSA-N -1 3 338.323 2.668 20 5 EFBDHM CNc1c(C(=O)[N-]c2nnc(C(F)(F)F)s2)cccc1[N+](=O)[O-] ZINC000361159736 475231567 /nfs/dbraw/zinc/23/15/67/475231567.db2.gz PFAYFMUAZYPBNR-UHFFFAOYSA-N -1 3 347.278 2.759 20 5 EFBDHM COC(=O)c1cc(F)cc([N-]C(=O)c2ccc([N+](=O)[O-])cc2)c1F ZINC000357981127 475308547 /nfs/dbraw/zinc/30/85/47/475308547.db2.gz QYKUXKRJLDYGKK-UHFFFAOYSA-N -1 3 336.250 2.912 20 5 EFBDHM C[C@@H]1CC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H](C)C1 ZINC000352478874 475333308 /nfs/dbraw/zinc/33/33/08/475333308.db2.gz BFUJNTKMLIESDB-UWVGGRQHSA-N -1 3 330.381 2.837 20 5 EFBDHM COC(=O)c1cc(F)cc([N-]C(=O)c2cccc([N+](=O)[O-])c2)c1F ZINC000357994010 475317862 /nfs/dbraw/zinc/31/78/62/475317862.db2.gz QNAKHNKWQGXPSK-UHFFFAOYSA-N -1 3 336.250 2.912 20 5 EFBDHM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000354678723 475334165 /nfs/dbraw/zinc/33/41/65/475334165.db2.gz PZRPCOXZUNCWRI-SECBINFHSA-N -1 3 340.323 2.913 20 5 EFBDHM Cc1cnn(Cc2cc(C(=O)[N-]c3cc(F)cc([N+](=O)[O-])c3)no2)c1 ZINC000348010418 475364596 /nfs/dbraw/zinc/36/45/96/475364596.db2.gz MWMDSWQRCJTVGC-UHFFFAOYSA-N -1 3 345.290 2.527 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)CCc2ccco2)c([N+](=O)[O-])c1 ZINC000337846060 475372798 /nfs/dbraw/zinc/37/27/98/475372798.db2.gz OXDSKQDZOVXYEM-LBPRGKRZSA-N -1 3 338.385 2.796 20 5 EFBDHM CNc1c(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)cccc1[N+](=O)[O-] ZINC000361377401 475398341 /nfs/dbraw/zinc/39/83/41/475398341.db2.gz ORSFITSYQXDSPE-UHFFFAOYSA-N -1 3 337.339 2.701 20 5 EFBDHM CCOCC(C)(C)C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000341949244 475440966 /nfs/dbraw/zinc/44/09/66/475440966.db2.gz STOVHAPADHOPNH-UHFFFAOYSA-N -1 3 344.433 2.553 20 5 EFBDHM CCOCC(C)(C)C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000341961804 475454448 /nfs/dbraw/zinc/45/44/48/475454448.db2.gz SYNFYCFSLLERAB-UHFFFAOYSA-N -1 3 344.433 2.553 20 5 EFBDHM COc1ccc([N-]S(=O)(=O)Cc2ccccc2F)cc1[N+](=O)[O-] ZINC000358173352 475460812 /nfs/dbraw/zinc/46/08/12/475460812.db2.gz WSXNGRXXOWKBNV-UHFFFAOYSA-N -1 3 340.332 2.684 20 5 EFBDHM CCc1noc(C)c1C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000361482305 475484223 /nfs/dbraw/zinc/48/42/23/475484223.db2.gz WMIFBGHOBAZZHG-UHFFFAOYSA-N -1 3 341.327 2.518 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)c2ccncc2F)cc1[N+](=O)[O-] ZINC000337985890 475484353 /nfs/dbraw/zinc/48/43/53/475484353.db2.gz KUYAGSWMRJCXQV-ZETCQYMHSA-N -1 3 345.377 2.538 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC(F)(F)c2ccccc2)cc1 ZINC000352731759 475572400 /nfs/dbraw/zinc/57/24/00/475572400.db2.gz UDLKAABYKAGGIH-UHFFFAOYSA-N -1 3 342.323 2.665 20 5 EFBDHM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000352738776 475579427 /nfs/dbraw/zinc/57/94/27/475579427.db2.gz OAIAIDSULWWQAA-GHMZBOCLSA-N -1 3 330.381 2.839 20 5 EFBDHM C[C@H]1CC=CC[C@@H]1C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000352798559 475634326 /nfs/dbraw/zinc/63/43/26/475634326.db2.gz UUJSXONHXOXUQA-FZMZJTMJSA-N -1 3 326.356 2.948 20 5 EFBDHM Cc1ncc([N+](=O)[O-])n1Cc1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000346611103 475698509 /nfs/dbraw/zinc/69/85/09/475698509.db2.gz UAJOAFQGFDLWDV-UHFFFAOYSA-N -1 3 345.384 2.737 20 5 EFBDHM CC(C)(C)c1cccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1O ZINC000361792930 475758266 /nfs/dbraw/zinc/75/82/66/475758266.db2.gz SQSDFTJOUGUEKM-UHFFFAOYSA-N -1 3 331.328 2.951 20 5 EFBDHM CCc1cc(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)ccc1[O-] ZINC000343111164 475776903 /nfs/dbraw/zinc/77/69/03/475776903.db2.gz ZWOXIAATRPDKQX-UHFFFAOYSA-N -1 3 342.351 2.766 20 5 EFBDHM CCc1cnccc1[C@@H](C)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000358592839 475794062 /nfs/dbraw/zinc/79/40/62/475794062.db2.gz PBHWWOKCPRACHU-GFCCVEGCSA-N -1 3 349.412 2.900 20 5 EFBDHM CCc1cnccc1[C@H](C)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000358593570 475794549 /nfs/dbraw/zinc/79/45/49/475794549.db2.gz PBHWWOKCPRACHU-LBPRGKRZSA-N -1 3 349.412 2.900 20 5 EFBDHM CC[C@@H](C)n1[nH]c(=NC(=O)c2[n-]nc3ccc([N+](=O)[O-])cc32)cc1C ZINC000343163877 475822802 /nfs/dbraw/zinc/82/28/02/475822802.db2.gz UBEMDYWKSCAARN-SECBINFHSA-N -1 3 342.359 2.621 20 5 EFBDHM CC[C@@H](C)n1[nH]c(=NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1C ZINC000343163877 475822808 /nfs/dbraw/zinc/82/28/08/475822808.db2.gz UBEMDYWKSCAARN-SECBINFHSA-N -1 3 342.359 2.621 20 5 EFBDHM COC(=O)c1cc([N-]C(=O)c2ncoc2C2CC2)c(C)c([N+](=O)[O-])c1 ZINC000297968441 475940194 /nfs/dbraw/zinc/94/01/94/475940194.db2.gz HHKZTUCLKSKCSN-UHFFFAOYSA-N -1 3 345.311 2.808 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)CC(F)(F)F ZINC000362097590 475997744 /nfs/dbraw/zinc/99/77/44/475997744.db2.gz MXMLHDUNKPAGEG-MRVPVSSYSA-N -1 3 326.296 2.522 20 5 EFBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000362102364 476001020 /nfs/dbraw/zinc/00/10/20/476001020.db2.gz MPADHQRNNPFRES-MRVPVSSYSA-N -1 3 326.296 2.522 20 5 EFBDHM O=C([N-]c1nnc(CC(F)(F)F)s1)c1ccccc1[N+](=O)[O-] ZINC000362189112 476059754 /nfs/dbraw/zinc/05/97/54/476059754.db2.gz JSMGICBNVDTZTP-UHFFFAOYSA-N -1 3 332.263 2.803 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nc3cc(Cl)ccn3n2)c1 ZINC000362283327 476140560 /nfs/dbraw/zinc/14/05/60/476140560.db2.gz CCIFUMYVINJZRF-UHFFFAOYSA-N -1 3 331.719 2.852 20 5 EFBDHM Cc1cc([N-]S(=O)(=O)c2ccc(CN(C)C)cc2)ccc1[N+](=O)[O-] ZINC000340633629 476166238 /nfs/dbraw/zinc/16/62/38/476166238.db2.gz NNZLGKRZXJIKLX-UHFFFAOYSA-N -1 3 349.412 2.766 20 5 EFBDHM CC[C@H]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)sc2C1 ZINC000302938882 476212461 /nfs/dbraw/zinc/21/24/61/476212461.db2.gz HGJCAIGUOJEXMD-QMMMGPOBSA-N -1 3 348.384 2.919 20 5 EFBDHM O=[N+]([O-])c1ccccc1NCc1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000350500978 476215647 /nfs/dbraw/zinc/21/56/47/476215647.db2.gz AZJOZGRPFGXCRO-UHFFFAOYSA-N -1 3 337.299 2.528 20 5 EFBDHM COC(=O)c1ccc(-c2nc(-c3ccc(C)c([N+](=O)[O-])c3)no2)[n-]1 ZINC000350523817 476229925 /nfs/dbraw/zinc/22/99/25/476229925.db2.gz GMTVUMWJVAYIIP-UHFFFAOYSA-N -1 3 328.284 2.735 20 5 EFBDHM COc1cc(-c2noc(COc3ccc([N+](=O)[O-])cc3)n2)ccc1[O-] ZINC000350574194 476252588 /nfs/dbraw/zinc/25/25/88/476252588.db2.gz GDKITMMLDGLBMW-UHFFFAOYSA-N -1 3 343.295 2.938 20 5 EFBDHM CCc1c(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)ccn1C ZINC000353778667 476267074 /nfs/dbraw/zinc/26/70/74/476267074.db2.gz GWCVZRFNJLELBU-UHFFFAOYSA-N -1 3 339.355 2.560 20 5 EFBDHM COc1cc(NCCCNC(=O)c2cccc([O-])c2)ccc1[N+](=O)[O-] ZINC000360988374 476527702 /nfs/dbraw/zinc/52/77/02/476527702.db2.gz YPAHJBBRTQRZJR-UHFFFAOYSA-N -1 3 345.355 2.541 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCC(F)(F)C2)cc1C ZINC000429973561 476727085 /nfs/dbraw/zinc/72/70/85/476727085.db2.gz OANVAPUMCPYFNF-NSHDSACASA-N -1 3 348.371 2.925 20 5 EFBDHM CN(CCCNC(=O)c1cccc([N+](=O)[O-])c1[O-])Cc1ccccc1 ZINC000385306606 476759982 /nfs/dbraw/zinc/75/99/82/476759982.db2.gz YSYYGAOJLYRSLX-UHFFFAOYSA-N -1 3 343.383 2.552 20 5 EFBDHM C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1[O-])N(C)Cc1ccccc1 ZINC000390756534 476800028 /nfs/dbraw/zinc/80/00/28/476800028.db2.gz HZNLJFJTIYLQSG-ZDUSSCGKSA-N -1 3 343.383 2.551 20 5 EFBDHM O=[N+]([O-])c1cccc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)F)c1 ZINC000431618546 477063760 /nfs/dbraw/zinc/06/37/60/477063760.db2.gz GFWIXPRYMDLYRM-CYBMUJFWSA-N -1 3 342.323 2.880 20 5 EFBDHM CC[C@@H](C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416363269 477146383 /nfs/dbraw/zinc/14/63/83/477146383.db2.gz NJSHHKMMIBVQKG-SSDOTTSWSA-N -1 3 326.296 2.690 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-][C@@H](C)CC(C)(C)C)c([N+](=O)[O-])c1 ZINC000416506038 477193602 /nfs/dbraw/zinc/19/36/02/477193602.db2.gz HBZIYBCXKDEIPF-JTQLQIEISA-N -1 3 330.406 2.706 20 5 EFBDHM CCC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)C1CCC1 ZINC000416558168 477215639 /nfs/dbraw/zinc/21/56/39/477215639.db2.gz LBTKPDMXCBANNL-CYBMUJFWSA-N -1 3 342.417 2.851 20 5 EFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000416557214 477216324 /nfs/dbraw/zinc/21/63/24/477216324.db2.gz KCPBIQMIBPRLJO-DVVUODLYSA-N -1 3 330.793 2.715 20 5 EFBDHM CCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)C1CCC1 ZINC000416558170 477216407 /nfs/dbraw/zinc/21/64/07/477216407.db2.gz LBTKPDMXCBANNL-ZDUSSCGKSA-N -1 3 342.417 2.851 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C(C)(C)COC(C)C)cc1C ZINC000416626366 477241416 /nfs/dbraw/zinc/24/14/16/477241416.db2.gz SHZILEIOBWHQFS-UHFFFAOYSA-N -1 3 344.433 2.694 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccco2)c1C ZINC000416662842 477254600 /nfs/dbraw/zinc/25/46/00/477254600.db2.gz RLTIWVBGGVRTRU-VXGBXAGGSA-N -1 3 336.369 2.639 20 5 EFBDHM COc1c(F)cc(F)cc1[N-]C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000433958834 477330368 /nfs/dbraw/zinc/33/03/68/477330368.db2.gz IWZKZRWVHOOLQI-UHFFFAOYSA-N -1 3 340.286 2.980 20 5 EFBDHM Cc1ccc(CNC[C@@H](Oc2ccc(F)cc2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000426630219 477729773 /nfs/dbraw/zinc/72/97/73/477729773.db2.gz TWQMIVWXNXHWNW-MRXNPFEDSA-N -1 3 348.330 2.664 20 5 EFBDHM O=C(c1csc(=O)[n-]1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000456151906 477800831 /nfs/dbraw/zinc/80/08/31/477800831.db2.gz VQEIWKZHUSZYAM-NSHDSACASA-N -1 3 333.369 2.777 20 5 EFBDHM CC(C)(NCc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1[N+](=O)[O-] ZINC000459488230 477932217 /nfs/dbraw/zinc/93/22/17/477932217.db2.gz ICZVRBFRFXMEBI-UHFFFAOYSA-N -1 3 328.372 2.993 20 5 EFBDHM CCN=c1[n-]c(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000516486353 477939669 /nfs/dbraw/zinc/93/96/69/477939669.db2.gz ICFJNYZRHKJONX-UHFFFAOYSA-N -1 3 334.401 2.570 20 5 EFBDHM O=[N+]([O-])c1cc(F)ccc1-c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000558892004 477939725 /nfs/dbraw/zinc/93/97/25/477939725.db2.gz NSVCUHIWHLXMHZ-UHFFFAOYSA-N -1 3 326.247 2.722 20 5 EFBDHM CCCCN1CCCC[C@H]1CNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000516869622 478001205 /nfs/dbraw/zinc/00/12/05/478001205.db2.gz MKEBVIRQBRWAKE-LBPRGKRZSA-N -1 3 336.392 2.755 20 5 EFBDHM CC/C=C\C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000451775809 478200156 /nfs/dbraw/zinc/20/01/56/478200156.db2.gz PHNRFJLBTBKNGA-ARJAWSKDSA-N -1 3 338.307 2.858 20 5 EFBDHM CC(C)(C)c1coc([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC000519617427 478240809 /nfs/dbraw/zinc/24/08/09/478240809.db2.gz VYGYGGXAWFHUQQ-UHFFFAOYSA-N -1 3 347.327 2.904 20 5 EFBDHM COc1ccc(CN(C)C)cc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000536593885 478261164 /nfs/dbraw/zinc/26/11/64/478261164.db2.gz QJRNFNHKPOMUEQ-UHFFFAOYSA-N -1 3 345.355 2.623 20 5 EFBDHM COc1ccnc2c(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cccc12 ZINC000579431810 478292616 /nfs/dbraw/zinc/29/26/16/478292616.db2.gz IJEJIQMGGQGNRY-UHFFFAOYSA-N -1 3 340.295 2.505 20 5 EFBDHM CN1CC[C@@H](Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000570970587 478491536 /nfs/dbraw/zinc/49/15/36/478491536.db2.gz XJVMNYBHKUIBFT-KGLIPLIRSA-N -1 3 342.355 2.545 20 5 EFBDHM CCCOc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1OC ZINC000600811686 478529897 /nfs/dbraw/zinc/52/98/97/478529897.db2.gz RFNBSPKTQDYMLY-UHFFFAOYSA-N -1 3 347.327 2.745 20 5 EFBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-][C@@H]1CC=CCC1 ZINC000594753020 478532141 /nfs/dbraw/zinc/53/21/41/478532141.db2.gz HCNQCLXWZVDTNS-LLVKDONJSA-N -1 3 333.369 2.530 20 5 EFBDHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000597842967 478535504 /nfs/dbraw/zinc/53/55/04/478535504.db2.gz SEIXNJHXKLIUOB-ZDUSSCGKSA-N -1 3 344.371 2.769 20 5 EFBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]CC1=CCCCC1 ZINC000594777355 478538337 /nfs/dbraw/zinc/53/83/37/478538337.db2.gz ZRFVGBAJLOFYKF-UHFFFAOYSA-N -1 3 347.396 2.922 20 5 EFBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000594784165 478540656 /nfs/dbraw/zinc/54/06/56/478540656.db2.gz NSLZSXFDLHOSBY-OSMZGAPFSA-N -1 3 347.396 2.610 20 5 EFBDHM CC[C@H](C)CC[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594816365 478551852 /nfs/dbraw/zinc/55/18/52/478551852.db2.gz BELNNLWFEUWXMT-NSHDSACASA-N -1 3 337.401 2.858 20 5 EFBDHM CSCC1(CC[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000594822098 478552353 /nfs/dbraw/zinc/55/23/53/478552353.db2.gz YYWAUEJECSNECE-UHFFFAOYSA-N -1 3 344.458 2.715 20 5 EFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCCOC(C)(C)C)c1[N+](=O)[O-] ZINC000594846655 478560111 /nfs/dbraw/zinc/56/01/11/478560111.db2.gz BSARFVNGWDYZKQ-UHFFFAOYSA-N -1 3 344.433 2.695 20 5 EFBDHM COc1cc(CNCc2c(OC)cccc2OC)c([N+](=O)[O-])cc1[O-] ZINC000594966307 478609762 /nfs/dbraw/zinc/60/97/62/478609762.db2.gz FWVDTJSMSLVYNY-UHFFFAOYSA-N -1 3 348.355 2.616 20 5 EFBDHM CCCCN1CCCC[C@@H]1CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000582847321 478702688 /nfs/dbraw/zinc/70/26/88/478702688.db2.gz JOUUWTBRLDNJRF-GFCCVEGCSA-N -1 3 336.392 2.755 20 5 EFBDHM C[C@@]12CN(Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000595279688 478711965 /nfs/dbraw/zinc/71/19/65/478711965.db2.gz XAEQASUIILQQTK-IQFXKTMKSA-N -1 3 328.368 2.937 20 5 EFBDHM O=c1[nH][n-]cc1CCCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000601195040 478717824 /nfs/dbraw/zinc/71/78/24/478717824.db2.gz BEADJODDQJZYFX-QMMMGPOBSA-N -1 3 330.266 2.538 20 5 EFBDHM CCSC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000595350274 478742411 /nfs/dbraw/zinc/74/24/11/478742411.db2.gz GNWSRNAPCZPGLC-UHFFFAOYSA-N -1 3 336.460 2.529 20 5 EFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCCc2ccco2)c1[N+](=O)[O-] ZINC000595377266 478755001 /nfs/dbraw/zinc/75/50/01/478755001.db2.gz ODNNAZUTKOPAJU-UHFFFAOYSA-N -1 3 338.385 2.716 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](F)C2)c(Cl)c1 ZINC000592062472 478760890 /nfs/dbraw/zinc/76/08/90/478760890.db2.gz FPOPIOGQIKOECG-RKDXNWHRSA-N -1 3 336.772 2.807 20 5 EFBDHM CN(C)CCOc1ccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1 ZINC000545585412 478943801 /nfs/dbraw/zinc/94/38/01/478943801.db2.gz KNEZCMVANPLCAJ-UHFFFAOYSA-N -1 3 343.343 2.580 20 5 EFBDHM Cc1[n-][nH]c(=O)c1CCNc1cc(C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000573297083 479033040 /nfs/dbraw/zinc/03/30/40/479033040.db2.gz DMUOTMDYPQEGTH-SECBINFHSA-N -1 3 344.293 2.846 20 5 EFBDHM O=C(/C=C\c1ccc(-c2ccccc2[N+](=O)[O-])s1)[N-]OCCCO ZINC000493608628 479078970 /nfs/dbraw/zinc/07/89/70/479078970.db2.gz AHFPESYEBPQQHS-CLFYSBASSA-N -1 3 348.380 2.767 20 5 EFBDHM CC(C)Nc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1noc2c1COCC2 ZINC000598935371 479090397 /nfs/dbraw/zinc/09/03/97/479090397.db2.gz HNXICOQJFZVTQO-UHFFFAOYSA-N -1 3 346.343 2.728 20 5 EFBDHM O=c1[n-]ccc(N2CCN(C/C=C/c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000596055079 479110990 /nfs/dbraw/zinc/11/09/90/479110990.db2.gz DGKZSDFGPSFPFF-QPJJXVBHSA-N -1 3 340.383 2.531 20 5 EFBDHM O=c1[n-]ccc(NCc2ccc(N3CCCCC3)nc2)c1[N+](=O)[O-] ZINC000596076702 479123759 /nfs/dbraw/zinc/12/37/59/479123759.db2.gz JNXGISLIIQCXAX-UHFFFAOYSA-N -1 3 329.360 2.693 20 5 EFBDHM CC[C@@H](C)NC(=O)c1ccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000596087524 479130214 /nfs/dbraw/zinc/13/02/14/479130214.db2.gz HATODWGXQNFJGK-SNVBAGLBSA-N -1 3 330.344 2.967 20 5 EFBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cccc3c(OC)ccnc23)n1 ZINC000515197192 479131482 /nfs/dbraw/zinc/13/14/82/479131482.db2.gz YZWNNJNWNUVXIX-UHFFFAOYSA-N -1 3 341.327 2.620 20 5 EFBDHM O=c1[n-]ccc(N2CCC(Oc3cccc(F)c3)CC2)c1[N+](=O)[O-] ZINC000599121001 479168244 /nfs/dbraw/zinc/16/82/44/479168244.db2.gz PWJMTYXZRLHXMJ-UHFFFAOYSA-N -1 3 333.319 2.882 20 5 EFBDHM O=C([O-])[C@@H](c1cccnc1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000584541694 479173690 /nfs/dbraw/zinc/17/36/90/479173690.db2.gz VLQNXQCTIZIKKX-DOTOQJQBSA-N -1 3 341.367 2.995 20 5 EFBDHM COc1ccccc1OC[C@H](C)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596179087 479183085 /nfs/dbraw/zinc/18/30/85/479183085.db2.gz MBHGAFQUMAVVQS-LLVKDONJSA-N -1 3 333.344 2.831 20 5 EFBDHM O=c1[n-]ccc(N[C@H]2CCCN(c3ccccc3F)C2)c1[N+](=O)[O-] ZINC000596180261 479184223 /nfs/dbraw/zinc/18/42/23/479184223.db2.gz RDEHKPGWDBXCGF-NSHDSACASA-N -1 3 332.335 2.915 20 5 EFBDHM CCc1ccc([C@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])CCO2)cc1 ZINC000596206718 479199601 /nfs/dbraw/zinc/19/96/01/479199601.db2.gz IRPLXANCTATCSP-OAHLLOKOSA-N -1 3 329.356 2.836 20 5 EFBDHM O=C(c1ccc(F)cc1)C1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596215143 479204118 /nfs/dbraw/zinc/20/41/18/479204118.db2.gz QPMOPJXEZDVBRF-UHFFFAOYSA-N -1 3 345.330 2.934 20 5 EFBDHM O=c1[n-]ccc(NC[C@]2(O)CCC[C@@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000596220868 479208065 /nfs/dbraw/zinc/20/80/65/479208065.db2.gz DZWAJMKKQXZMLK-PELKAZGASA-N -1 3 335.282 2.591 20 5 EFBDHM O=c1[n-]ccc(NC[C@@H]2CCN(c3ccccc3F)C2)c1[N+](=O)[O-] ZINC000596242550 479218986 /nfs/dbraw/zinc/21/89/86/479218986.db2.gz XALUOTGPFFFOMQ-NSHDSACASA-N -1 3 332.335 2.773 20 5 EFBDHM CC(C)(C)O[C@@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])[C@@H]1n1cccn1 ZINC000596259406 479228442 /nfs/dbraw/zinc/22/84/42/479228442.db2.gz ZAFIEOXUIDLYCZ-XQQFMLRXSA-N -1 3 347.375 2.501 20 5 EFBDHM CC(C)(C)OC(=O)C(C)(C)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596281842 479236618 /nfs/dbraw/zinc/23/66/18/479236618.db2.gz XGAIKOZZJZYAMM-UHFFFAOYSA-N -1 3 325.365 2.865 20 5 EFBDHM O=c1[n-]ccc(NC[C@@H](OC2CCCC2)C(F)(F)F)c1[N+](=O)[O-] ZINC000596415013 479287009 /nfs/dbraw/zinc/28/70/09/479287009.db2.gz GIKOOJPLKGAUQG-SNVBAGLBSA-N -1 3 335.282 2.997 20 5 EFBDHM O=C(c1cccc(Oc2cc[n-]c(=O)c2[N+](=O)[O-])c1)N1CCCC1 ZINC000596529672 479329964 /nfs/dbraw/zinc/32/99/64/479329964.db2.gz JXWHAFSZHLWZAE-UHFFFAOYSA-N -1 3 329.312 2.724 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)c2cnccc2C)c1C ZINC000611292267 479339831 /nfs/dbraw/zinc/33/98/31/479339831.db2.gz BCYBXNBBAIENMV-ZDUSSCGKSA-N -1 3 349.412 2.955 20 5 EFBDHM CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000603631495 479415328 /nfs/dbraw/zinc/41/53/28/479415328.db2.gz HELPLEOMXOVKEE-YPMHNXCESA-N -1 3 342.417 2.851 20 5 EFBDHM Cn1c(C(=O)Nc2ccc(Br)cc2[O-])ccc1[N+](=O)[O-] ZINC000603626518 479415515 /nfs/dbraw/zinc/41/55/15/479415515.db2.gz LLRMNZHNPSXHRP-UHFFFAOYSA-N -1 3 340.133 2.654 20 5 EFBDHM COc1c(F)cc(S(=O)(=O)[N-]C(C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000614551101 479442385 /nfs/dbraw/zinc/44/23/85/479442385.db2.gz YBPGZEZXHFCCNR-UHFFFAOYSA-N -1 3 348.396 2.701 20 5 EFBDHM O=C([O-])[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000593743405 479443775 /nfs/dbraw/zinc/44/37/75/479443775.db2.gz CTFRXAJGZPRPOJ-KRWDZBQOSA-N -1 3 342.351 2.658 20 5 EFBDHM CCOc1cc(CN2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000593755659 479448815 /nfs/dbraw/zinc/44/88/15/479448815.db2.gz KEVWHBYCMBXDIC-UONOGXRCSA-N -1 3 334.372 2.536 20 5 EFBDHM Cc1ccc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c(C)c1 ZINC000604038193 479464894 /nfs/dbraw/zinc/46/48/94/479464894.db2.gz NZTDKAPFFTXKDK-UHFFFAOYSA-N -1 3 334.397 2.999 20 5 EFBDHM C[C@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)o1 ZINC000604040601 479466364 /nfs/dbraw/zinc/46/63/64/479466364.db2.gz NEIKEPNJCJCCJF-IINYFYTJSA-N -1 3 336.369 2.790 20 5 EFBDHM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1cncc([O-])c1 ZINC000596915883 479486115 /nfs/dbraw/zinc/48/61/15/479486115.db2.gz YNMVRGFUWDTNRV-UHFFFAOYSA-N -1 3 329.356 2.675 20 5 EFBDHM Cc1cccc(C[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)c1 ZINC000590589108 479664012 /nfs/dbraw/zinc/66/40/12/479664012.db2.gz RLMKZDKAHYZNJA-UHFFFAOYSA-N -1 3 338.360 2.829 20 5 EFBDHM CCOC(=O)c1ncc(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)[n-]1 ZINC000619447123 479793024 /nfs/dbraw/zinc/79/30/24/479793024.db2.gz LQKRMJUCDMJDMC-UHFFFAOYSA-N -1 3 346.343 2.870 20 5 EFBDHM CCOC(=O)c1nc(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c[n-]1 ZINC000619447123 479793030 /nfs/dbraw/zinc/79/30/30/479793030.db2.gz LQKRMJUCDMJDMC-UHFFFAOYSA-N -1 3 346.343 2.870 20 5 EFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CC[C@H](C)C[C@H]1C ZINC000619483486 479807943 /nfs/dbraw/zinc/80/79/43/479807943.db2.gz FVFVOZVRAMZYOH-QJPTWQEYSA-N -1 3 342.417 2.706 20 5 EFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000619483487 479807988 /nfs/dbraw/zinc/80/79/88/479807988.db2.gz FVFVOZVRAMZYOH-SDDRHHMPSA-N -1 3 342.417 2.706 20 5 EFBDHM CCCC[C@@H](COC)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000609899366 480219079 /nfs/dbraw/zinc/21/90/79/480219079.db2.gz WPVKAZVCHCZWDU-ZDUSSCGKSA-N -1 3 344.433 2.695 20 5 EFBDHM CCc1ccc(CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000609898708 480219318 /nfs/dbraw/zinc/21/93/18/480219318.db2.gz KNEDOXZVVPXXMV-UHFFFAOYSA-N -1 3 334.397 2.678 20 5 EFBDHM CCc1ccc(CC[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000609898710 480219940 /nfs/dbraw/zinc/21/99/40/480219940.db2.gz KREWQBVHOLOCBX-UHFFFAOYSA-N -1 3 348.424 2.987 20 5 EFBDHM CCOc1cccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)n1 ZINC000610445933 480308230 /nfs/dbraw/zinc/30/82/30/480308230.db2.gz FWKIEMYZHFRRGU-UHFFFAOYSA-N -1 3 327.300 2.517 20 5 EFBDHM CSc1ccncc1[N-]C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000610543857 480334245 /nfs/dbraw/zinc/33/42/45/480334245.db2.gz DAMUKIDOCZVSSF-UHFFFAOYSA-N -1 3 329.341 2.840 20 5 EFBDHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)c1csc([N+](=O)[O-])c1 ZINC000181023974 521597540 /nfs/dbraw/zinc/59/75/40/521597540.db2.gz YIIHVWWLBHQAED-UHFFFAOYSA-N -1 3 339.329 2.636 20 5 EFBDHM COc1cc(CNCc2cn3cccc(C)c3n2)c([N+](=O)[O-])cc1[O-] ZINC000076894875 522470327 /nfs/dbraw/zinc/47/03/27/522470327.db2.gz JERLVAQLAMSQNB-UHFFFAOYSA-N -1 3 342.355 2.555 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CC12CCCCC2 ZINC000179996468 522986085 /nfs/dbraw/zinc/98/60/85/522986085.db2.gz IXNYTFGXUVGKPZ-CQSZACIVSA-N -1 3 340.401 2.605 20 5 EFBDHM COCc1nc(C)c(C(=O)[N-]c2ccc(OC)cc2[N+](=O)[O-])s1 ZINC000120263286 523186132 /nfs/dbraw/zinc/18/61/32/523186132.db2.gz MPCZJKSYOHCJSI-UHFFFAOYSA-N -1 3 337.357 2.767 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CC23CCCCC3)c([N+](=O)[O-])c1 ZINC000180001138 525071827 /nfs/dbraw/zinc/07/18/27/525071827.db2.gz LBOXBHQAVOGJIR-CQSZACIVSA-N -1 3 340.401 2.605 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-]Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000122714324 526885801 /nfs/dbraw/zinc/88/58/01/526885801.db2.gz SPXKWFBVKADSIH-UHFFFAOYSA-N -1 3 330.362 2.582 20 5 EFBDHM O=C([N-]c1ccncc1F)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181963551 527458372 /nfs/dbraw/zinc/45/83/72/527458372.db2.gz NNOJLINEZZHLIH-UHFFFAOYSA-N -1 3 327.218 2.983 20 5 EFBDHM CCc1[nH]nc(C(=O)[N-]c2nc3c(s2)CCC3(C)C)c1[N+](=O)[O-] ZINC000421935530 536009246 /nfs/dbraw/zinc/00/92/46/536009246.db2.gz AKDLYIAJNWJJFQ-UHFFFAOYSA-N -1 3 335.389 2.813 20 5 EFBDHM CCc1[nH]nc([N-]C(=O)c2ccc([N+](=O)[O-])s2)c1Br ZINC000359512397 536011299 /nfs/dbraw/zinc/01/12/99/536011299.db2.gz MPGKUVDREBWBMU-UHFFFAOYSA-N -1 3 345.178 2.957 20 5 EFBDHM COc1cc(C)cc(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)c1[O-] ZINC000436747361 536632349 /nfs/dbraw/zinc/63/23/49/536632349.db2.gz LLCDUAFHPVQUFD-UHFFFAOYSA-N -1 3 332.312 2.878 20 5 EFBDHM COc1ccc([N+](=O)[O-])c(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)c1 ZINC000435676339 536950259 /nfs/dbraw/zinc/95/02/59/536950259.db2.gz SBLVGYXCONUMQF-UHFFFAOYSA-N -1 3 338.323 2.668 20 5 EFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc[nH]1 ZINC000760402998 576018663 /nfs/dbraw/zinc/01/86/63/576018663.db2.gz HOPJZGLVXPVFRQ-MRVPVSSYSA-N -1 3 329.765 2.616 20 5 EFBDHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc[nH]1 ZINC000760403292 576018693 /nfs/dbraw/zinc/01/86/93/576018693.db2.gz HOPJZGLVXPVFRQ-QMMMGPOBSA-N -1 3 329.765 2.616 20 5 EFBDHM COc1cccc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)c1[N+](=O)[O-] ZINC000766512635 577160055 /nfs/dbraw/zinc/16/00/55/577160055.db2.gz QZJXUHDUXIBBBP-UHFFFAOYSA-N -1 3 335.247 2.903 20 5 EFBDHM C[C@@]1(c2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768840740 577308113 /nfs/dbraw/zinc/30/81/13/577308113.db2.gz CGAGQJBTWJMXBK-JSGCOSHPSA-N -1 3 338.410 2.665 20 5 EFBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2C[C@@H]2Cc2ccccc2)cs1 ZINC000768842568 577308338 /nfs/dbraw/zinc/30/83/38/577308338.db2.gz NLTWVZFVINTXOL-WCQYABFASA-N -1 3 338.410 2.566 20 5 EFBDHM Cc1cc(C)cc(CC[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000768842010 577308356 /nfs/dbraw/zinc/30/83/56/577308356.db2.gz MEUAFAHQIFJPPJ-UHFFFAOYSA-N -1 3 340.426 2.794 20 5 EFBDHM CC(C)C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)CCO1 ZINC000768886443 577314240 /nfs/dbraw/zinc/31/42/40/577314240.db2.gz DLAHJFLNOJXNFL-WDEREUQCSA-N -1 3 348.446 2.528 20 5 EFBDHM Cc1sc(C(N)=O)cc1[N-]C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000769273557 577348609 /nfs/dbraw/zinc/34/86/09/577348609.db2.gz KNGXFHIXDIHCBK-UHFFFAOYSA-N -1 3 339.760 2.969 20 5 EFBDHM O=[N+]([O-])c1ccc(OCc2ccc(F)cc2-c2nnn[n-]2)cc1F ZINC000738366074 577418759 /nfs/dbraw/zinc/41/87/59/577418759.db2.gz BFXDPKLZVSDWOB-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1ccc(OCc2ccc(F)cc2-c2nn[n-]n2)cc1F ZINC000738366074 577418761 /nfs/dbraw/zinc/41/87/61/577418761.db2.gz BFXDPKLZVSDWOB-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM C[C@@H](OC(=O)c1c([O-])cccc1F)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000772576009 581342432 /nfs/dbraw/zinc/34/24/32/581342432.db2.gz AWKCTAIGULZGOS-SECBINFHSA-N -1 3 348.286 2.624 20 5 EFBDHM COc1ccc([C@H](NCc2cccc([N+](=O)[O-])c2C)C(=O)[O-])cc1 ZINC000737973157 581506445 /nfs/dbraw/zinc/50/64/45/581506445.db2.gz YHFUBSOPIACWSY-INIZCTEOSA-N -1 3 330.340 2.827 20 5 EFBDHM Cc1noc(C)c1[C@H](C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737536094 598870701 /nfs/dbraw/zinc/87/07/01/598870701.db2.gz FGISRKCRWPVDOY-ZETCQYMHSA-N -1 3 329.320 2.553 20 5 EFBDHM Cc1noc(C)c1[C@H](C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737536094 598870702 /nfs/dbraw/zinc/87/07/02/598870702.db2.gz FGISRKCRWPVDOY-ZETCQYMHSA-N -1 3 329.320 2.553 20 5 EFBDHM C[C@]1(c2ccccc2)C[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820637558 599038438 /nfs/dbraw/zinc/03/84/38/599038438.db2.gz ZLKKXPTZKGWULB-NVXWUHKLSA-N -1 3 336.355 2.917 20 5 EFBDHM C[C@]1(c2ccccc2)C[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820637558 599038441 /nfs/dbraw/zinc/03/84/41/599038441.db2.gz ZLKKXPTZKGWULB-NVXWUHKLSA-N -1 3 336.355 2.917 20 5 EFBDHM CCO[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C12CCC2 ZINC000736611652 599119816 /nfs/dbraw/zinc/11/98/16/599119816.db2.gz JZOWMQJUBJWZHY-ZIAGYGMSSA-N -1 3 344.375 2.535 20 5 EFBDHM CCO[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C12CCC2 ZINC000736611652 599119819 /nfs/dbraw/zinc/11/98/19/599119819.db2.gz JZOWMQJUBJWZHY-ZIAGYGMSSA-N -1 3 344.375 2.535 20 5 EFBDHM O=[N+]([O-])c1cnc(N2CCC[C@H]2c2cccs2)c(-c2nnn[n-]2)c1 ZINC000823646876 599222433 /nfs/dbraw/zinc/22/24/33/599222433.db2.gz BSWSATWIDQGHDC-NSHDSACASA-N -1 3 343.372 2.573 20 5 EFBDHM O=[N+]([O-])c1cnc(N2CCC[C@H]2c2cccs2)c(-c2nn[n-]n2)c1 ZINC000823646876 599222434 /nfs/dbraw/zinc/22/24/34/599222434.db2.gz BSWSATWIDQGHDC-NSHDSACASA-N -1 3 343.372 2.573 20 5 EFBDHM C[C@@H]1CCCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000736277219 599252356 /nfs/dbraw/zinc/25/23/56/599252356.db2.gz LBIPEMNSDKDSEP-SNVBAGLBSA-N -1 3 339.359 2.559 20 5 EFBDHM C[C@@H]1CCCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000736277219 599252359 /nfs/dbraw/zinc/25/23/59/599252359.db2.gz LBIPEMNSDKDSEP-SNVBAGLBSA-N -1 3 339.359 2.559 20 5 EFBDHM CCO[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C12CCC2 ZINC000821358159 607346126 /nfs/dbraw/zinc/34/61/26/607346126.db2.gz HTIYAQFBGIRUTC-ZIAGYGMSSA-N -1 3 344.375 2.535 20 5 EFBDHM Cc1nc(C)c(CCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])s1 ZINC000737473817 598503835 /nfs/dbraw/zinc/50/38/35/598503835.db2.gz LNNZTIWWBJSDQC-UHFFFAOYSA-N -1 3 345.388 2.503 20 5 EFBDHM Cc1nc(C)c(CCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])s1 ZINC000737473817 598503836 /nfs/dbraw/zinc/50/38/36/598503836.db2.gz LNNZTIWWBJSDQC-UHFFFAOYSA-N -1 3 345.388 2.503 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@@H]1CCc2ccccc21 ZINC000738358061 598677760 /nfs/dbraw/zinc/67/77/60/598677760.db2.gz KLFLRWYEQIZSGA-ZDUSSCGKSA-N -1 3 336.355 2.917 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@@H]1CCc2ccccc21 ZINC000738358061 598677762 /nfs/dbraw/zinc/67/77/62/598677762.db2.gz KLFLRWYEQIZSGA-ZDUSSCGKSA-N -1 3 336.355 2.917 20 5 EFBDHM CCN(C(=O)c1csc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736508449 599310060 /nfs/dbraw/zinc/31/00/60/599310060.db2.gz LWOSBJDMKUDIEL-UHFFFAOYSA-N -1 3 344.356 2.503 20 5 EFBDHM CCN(C(=O)c1csc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736508449 599310063 /nfs/dbraw/zinc/31/00/63/599310063.db2.gz LWOSBJDMKUDIEL-UHFFFAOYSA-N -1 3 344.356 2.503 20 5 EFBDHM COc1cc(-c2nnn[n-]2)ccc1Oc1c(F)cc([N+](=O)[O-])cc1F ZINC000826176273 607464590 /nfs/dbraw/zinc/46/45/90/607464590.db2.gz IGIHECMCLXDSHY-UHFFFAOYSA-N -1 3 349.253 2.854 20 5 EFBDHM COc1cc(-c2nn[n-]n2)ccc1Oc1c(F)cc([N+](=O)[O-])cc1F ZINC000826176273 607464592 /nfs/dbraw/zinc/46/45/92/607464592.db2.gz IGIHECMCLXDSHY-UHFFFAOYSA-N -1 3 349.253 2.854 20 5 EFBDHM Cc1cc(-c2nnn[n-]2)ccc1-c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000826243683 607658477 /nfs/dbraw/zinc/65/84/77/607658477.db2.gz QWFWQGFIXVAIAV-UHFFFAOYSA-N -1 3 349.310 2.800 20 5 EFBDHM Cc1cc(-c2nn[n-]n2)ccc1-c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000826243683 607658478 /nfs/dbraw/zinc/65/84/78/607658478.db2.gz QWFWQGFIXVAIAV-UHFFFAOYSA-N -1 3 349.310 2.800 20 5 EFBDHM CC(C)OC[C@H](C(=O)[O-])N(C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000827022388 604797791 /nfs/dbraw/zinc/79/77/91/604797791.db2.gz UWLBCCPJTUNWHP-CYBMUJFWSA-N -1 3 330.768 2.558 20 5 EFBDHM C[C@@H](c1cccc(O)c1)N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820563201 606060091 /nfs/dbraw/zinc/06/00/91/606060091.db2.gz OSYHZIWHHZLDLQ-JTQLQIEISA-N -1 3 340.343 2.678 20 5 EFBDHM C[C@@H](c1cccc(O)c1)N(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820563201 606060096 /nfs/dbraw/zinc/06/00/96/606060096.db2.gz OSYHZIWHHZLDLQ-JTQLQIEISA-N -1 3 340.343 2.678 20 5 EFBDHM C[C@H](c1cccc(O)c1)N(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820563713 606060592 /nfs/dbraw/zinc/06/05/92/606060592.db2.gz UFLFJSUAERJVLC-SNVBAGLBSA-N -1 3 340.343 2.678 20 5 EFBDHM C[C@H](c1cccc(O)c1)N(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820563713 606060598 /nfs/dbraw/zinc/06/05/98/606060598.db2.gz UFLFJSUAERJVLC-SNVBAGLBSA-N -1 3 340.343 2.678 20 5 EFBDHM CCN(CCc1cccs1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821222061 606240057 /nfs/dbraw/zinc/24/00/57/606240057.db2.gz OFBGZZZVPMILCA-UHFFFAOYSA-N -1 3 344.400 2.905 20 5 EFBDHM CCN(CCc1cccs1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821222061 606240058 /nfs/dbraw/zinc/24/00/58/606240058.db2.gz OFBGZZZVPMILCA-UHFFFAOYSA-N -1 3 344.400 2.905 20 5 EFBDHM Cc1cccc(Oc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1[N+](=O)[O-] ZINC000826300505 607867055 /nfs/dbraw/zinc/86/70/55/607867055.db2.gz XKEBXKGTEVMVSM-UHFFFAOYSA-N -1 3 342.271 2.784 20 5 EFBDHM Cc1cccc(Oc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1[N+](=O)[O-] ZINC000826300505 607867056 /nfs/dbraw/zinc/86/70/56/607867056.db2.gz XKEBXKGTEVMVSM-UHFFFAOYSA-N -1 3 342.271 2.784 20 5 EFBDHM CC(C)CSCCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000824273997 607905112 /nfs/dbraw/zinc/90/51/12/607905112.db2.gz AOQYBEMPQVEVMO-UHFFFAOYSA-N -1 3 336.421 2.966 20 5 EFBDHM CC(C)CSCCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824273997 607905113 /nfs/dbraw/zinc/90/51/13/607905113.db2.gz AOQYBEMPQVEVMO-UHFFFAOYSA-N -1 3 336.421 2.966 20 5 EFBDHM O=[N+]([O-])c1ccc(F)c(NCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826498287 609477558 /nfs/dbraw/zinc/47/75/58/609477558.db2.gz OKOKAISEALQFCS-UHFFFAOYSA-N -1 3 332.270 2.665 20 5 EFBDHM O=[N+]([O-])c1ccc(F)c(NCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000826498287 609477560 /nfs/dbraw/zinc/47/75/60/609477560.db2.gz OKOKAISEALQFCS-UHFFFAOYSA-N -1 3 332.270 2.665 20 5 EFBDHM CC1(C)Nc2ccccc2[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000725372879 1251613863 /nfs/dbraw/zinc/61/38/63/1251613863.db2.gz AWJHWQRKSDHHBA-OAHLLOKOSA-N -1 3 347.396 2.819 20 5 EFBDHM O=C(NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-])C1=CCCCCC1 ZINC001107166048 1255129249 /nfs/dbraw/zinc/12/92/49/1255129249.db2.gz GJHGFMJTLYWUNM-AATRIKPKSA-N -1 3 346.387 2.670 20 5 EFBDHM O=C(NC/C=C\CNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CCC=CCC1 ZINC001107204766 1255310349 /nfs/dbraw/zinc/31/03/49/1255310349.db2.gz SBCWYAOKHJOEML-WAYWQWQTSA-N -1 3 346.387 2.526 20 5 EFBDHM CCCC(C)(C)C(=O)NC/C=C\CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107479150 1255946672 /nfs/dbraw/zinc/94/66/72/1255946672.db2.gz QVZJTKOWWJDSRS-WAYWQWQTSA-N -1 3 336.392 2.606 20 5 EFBDHM CC1(C(=O)NCCC2(CNc3cc[n-]c(=O)c3[N+](=O)[O-])CC2)CCC1 ZINC001089977028 1263467691 /nfs/dbraw/zinc/46/76/91/1263467691.db2.gz MHRRVVCZRZTWOP-UHFFFAOYSA-N -1 3 348.403 2.584 20 5 EFBDHM COC(=O)c1cc([N-]C(=O)c2ncoc2C(C)C)cc([N+](=O)[O-])c1 ZINC000735828301 1267428509 /nfs/dbraw/zinc/42/85/09/1267428509.db2.gz NOVLWILBQVOLQG-UHFFFAOYSA-N -1 3 333.300 2.745 20 5 EFBDHM O=C(N[C@H]1CC[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1)C1CCC1 ZINC001066417767 1270178889 /nfs/dbraw/zinc/17/88/89/1270178889.db2.gz QWJIDPVKZLCAOS-AULYBMBSSA-N -1 3 348.403 2.582 20 5 EFBDHM COc1ccc(OCCOC(=O)c2ccc([O-])cc2)c([N+](=O)[O-])c1 ZINC000744475254 1271060803 /nfs/dbraw/zinc/06/08/03/1271060803.db2.gz JUAHBZUHZFCIME-UHFFFAOYSA-N -1 3 333.296 2.545 20 5 EFBDHM CN(CCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)CCC1(C)CC1 ZINC001109517301 1274384768 /nfs/dbraw/zinc/38/47/68/1274384768.db2.gz GECRFWYHGQEDOE-UHFFFAOYSA-N -1 3 336.392 2.536 20 5 EFBDHM CC(C)=C(C)CC(=O)N(C)CCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001109591864 1274454762 /nfs/dbraw/zinc/45/47/62/1274454762.db2.gz YVEMOWAMIKOMIT-UHFFFAOYSA-N -1 3 336.392 2.702 20 5 EFBDHM O=C(NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1)C1CCCCCC1 ZINC001110079990 1275266780 /nfs/dbraw/zinc/26/67/80/1275266780.db2.gz FQIBCJPONINBDP-UHFFFAOYSA-N -1 3 348.403 2.727 20 5 EFBDHM CC(=O)c1cc([N+](=O)[O-])ccc1NCc1nc(C(F)(F)F)n[n-]1 ZINC000804623468 1280321887 /nfs/dbraw/zinc/32/18/87/1280321887.db2.gz OZTOPDJLQBKQTE-UHFFFAOYSA-N -1 3 329.238 2.546 20 5 EFBDHM CC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1[O-] ZINC000808188310 1281580035 /nfs/dbraw/zinc/58/00/35/1281580035.db2.gz STCVHKZUUJOGEO-UHFFFAOYSA-N -1 3 345.267 2.664 20 5 EFBDHM COc1cccc2c(C(=O)OCc3ccc([N+](=O)[O-])cc3F)n[n-]c21 ZINC000808676774 1281861137 /nfs/dbraw/zinc/86/11/37/1281861137.db2.gz QXAZLQCDOYGQDY-UHFFFAOYSA-N -1 3 345.286 2.976 20 5 EFBDHM COc1cccc2c(C(=O)OCc3ccc([N+](=O)[O-])cc3F)[n-]nc21 ZINC000808676774 1281861145 /nfs/dbraw/zinc/86/11/45/1281861145.db2.gz QXAZLQCDOYGQDY-UHFFFAOYSA-N -1 3 345.286 2.976 20 5 EFBDHM CC(C)(CC(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1)C1CC1 ZINC001110130329 1282575588 /nfs/dbraw/zinc/57/55/88/1282575588.db2.gz DKZJRKZYAGSLIH-UHFFFAOYSA-N -1 3 348.403 2.582 20 5 EFBDHM O=C(NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1)C1CCC=CCC1 ZINC001110147442 1284315035 /nfs/dbraw/zinc/31/50/35/1284315035.db2.gz CSWZUJLJINKXFO-UHFFFAOYSA-N -1 3 346.387 2.503 20 5 EFBDHM CCc1ccc([N+](=O)[O-])cc1NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000811626521 1284441943 /nfs/dbraw/zinc/44/19/43/1284441943.db2.gz HUEAZDBMECNPHJ-XNTDXEJSSA-N -1 3 337.335 2.880 20 5 EFBDHM O=C(CC1=CCCCC1)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094337887 1284942785 /nfs/dbraw/zinc/94/27/85/1284942785.db2.gz SPJPCAFEKSTLSX-UHFFFAOYSA-N -1 3 334.376 2.504 20 5 EFBDHM O=C([N-]N1CCCC1=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000780700588 1288889102 /nfs/dbraw/zinc/88/91/02/1288889102.db2.gz VFAHQPDJPRGDMZ-UHFFFAOYSA-N -1 3 349.412 2.897 20 5 EFBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Br)[N-]OC1CCCC1 ZINC000774868109 1290672357 /nfs/dbraw/zinc/67/23/57/1290672357.db2.gz VUBIQPGCGFDFRW-UHFFFAOYSA-N -1 3 343.177 2.890 20 5 EFBDHM COc1c(F)cccc1-c1noc(-c2cc([N+](=O)[O-])c[n-]c2=O)n1 ZINC001212935603 1290900930 /nfs/dbraw/zinc/90/09/30/1290900930.db2.gz CFDUQNMRKSEUFH-UHFFFAOYSA-N -1 3 332.247 2.560 20 5 EFBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nc(-c2ccc(F)c(F)c2F)no1 ZINC001212935786 1290902603 /nfs/dbraw/zinc/90/26/03/1290902603.db2.gz NBRPARXHPFAUMB-UHFFFAOYSA-N -1 3 338.201 2.830 20 5 EFBDHM O=C1CCc2ccc(-c3noc(-c4cc([N+](=O)[O-])c[n-]c4=O)n3)cc21 ZINC001212936972 1290904383 /nfs/dbraw/zinc/90/43/83/1290904383.db2.gz HJSFMPNVGKCWPO-UHFFFAOYSA-N -1 3 338.279 2.541 20 5 EFBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nc(-c2ccc(OC3CC3)cc2)no1 ZINC001212936887 1290904956 /nfs/dbraw/zinc/90/49/56/1290904956.db2.gz BVZLKBSOSTZLPK-UHFFFAOYSA-N -1 3 340.295 2.954 20 5 EFBDHM CCCCCC(=O)N[C@H]1C[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001114742945 1291668477 /nfs/dbraw/zinc/66/84/77/1291668477.db2.gz ZAYHMLVLHSWJSM-HAQNSBGRSA-N -1 3 336.392 2.582 20 5 EFBDHM C=CC(=O)OC[C@@H](C)Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233499709 1312944322 /nfs/dbraw/zinc/94/43/22/1312944322.db2.gz PQHDGOJYHILQIF-SSDOTTSWSA-N -1 3 325.708 2.621 20 5 EFBDHM O=[N+]([O-])c1cc2[n-]c(O[C@H]3CCc4nccn4C3)nc2cc1Cl ZINC001233505692 1312946316 /nfs/dbraw/zinc/94/63/16/1312946316.db2.gz DGECWEAZOYTHDW-QMMMGPOBSA-N -1 3 333.735 2.715 20 5 EFBDHM O=[N+]([O-])c1cc2nc(O[C@H]3CCc4nccn4C3)[n-]c2cc1Cl ZINC001233505692 1312946319 /nfs/dbraw/zinc/94/63/19/1312946319.db2.gz DGECWEAZOYTHDW-QMMMGPOBSA-N -1 3 333.735 2.715 20 5 EFBDHM CCOC(=O)[C@H](Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1)C1CC1 ZINC001233505886 1312946563 /nfs/dbraw/zinc/94/65/63/1312946563.db2.gz JBHWYNOITHZLFX-GFCCVEGCSA-N -1 3 339.735 2.845 20 5 EFBDHM COC[C@H](C)OC[C@H](C)Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233505770 1312946913 /nfs/dbraw/zinc/94/69/13/1312946913.db2.gz GFWVNYGGWUNNED-IUCAKERBSA-N -1 3 343.767 2.943 20 5 EFBDHM COC(=O)c1nc(Cl)nc(Cl)c1[N-]c1ccc([N+](=O)[O-])nc1 ZINC001203569128 1312958167 /nfs/dbraw/zinc/95/81/67/1312958167.db2.gz SVAJKQBMYDXUOK-UHFFFAOYSA-N -1 3 344.114 2.617 20 5 EFBDHM COc1cc(C)ccc1-c1noc(-c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC001212844047 1295537305 /nfs/dbraw/zinc/53/73/05/1295537305.db2.gz JDWHIDREUPCZFM-UHFFFAOYSA-N -1 3 328.284 2.729 20 5 EFBDHM Cc1cc(-c2noc(-c3c[n-]c(=O)c([N+](=O)[O-])c3)n2)c(F)cc1F ZINC001212844087 1295537584 /nfs/dbraw/zinc/53/75/84/1295537584.db2.gz JRNYAZVUIDNSBO-UHFFFAOYSA-N -1 3 334.238 2.999 20 5 EFBDHM O=C1CCc2c1cccc2-c1noc(-c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC001212844365 1295543557 /nfs/dbraw/zinc/54/35/57/1295543557.db2.gz PSTCVSAMFVNBER-UHFFFAOYSA-N -1 3 338.279 2.541 20 5 EFBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ncc(CO)cc2Br)c1 ZINC001199819455 1295741603 /nfs/dbraw/zinc/74/16/03/1295741603.db2.gz RVXBHBICFSVFBJ-UHFFFAOYSA-N -1 3 340.133 2.694 20 5 EFBDHM Cc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)n(Cc2ccncc2)n1 ZINC001199802099 1295760276 /nfs/dbraw/zinc/76/02/76/1295760276.db2.gz LLNMTZVQLUTALQ-UHFFFAOYSA-N -1 3 325.328 2.992 20 5 EFBDHM Cc1cnn(Cc2ccncc2)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199802747 1295760522 /nfs/dbraw/zinc/76/05/22/1295760522.db2.gz XKSJBTLIHZIBRB-UHFFFAOYSA-N -1 3 325.328 2.992 20 5 EFBDHM O=c1nc(O[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c2c([n-]1)CCCS2 ZINC001234907170 1313206510 /nfs/dbraw/zinc/20/65/10/1313206510.db2.gz VSQJSHAAUAWTKF-LBPRGKRZSA-N -1 3 345.380 2.675 20 5 EFBDHM COC(=O)C1CN(c2ccc(Nc3cc([O-])cc([N+](=O)[O-])c3)cc2)C1 ZINC001201229085 1296637356 /nfs/dbraw/zinc/63/73/56/1296637356.db2.gz BPPAVXDUDFXIAG-UHFFFAOYSA-N -1 3 343.339 2.653 20 5 EFBDHM COC(=O)c1cc(OC)c(OC)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201221798 1296670155 /nfs/dbraw/zinc/67/01/55/1296670155.db2.gz ICJDXCBYTDTPFH-UHFFFAOYSA-N -1 3 348.311 2.848 20 5 EFBDHM CC(C)[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000853342362 1300091024 /nfs/dbraw/zinc/09/10/24/1300091024.db2.gz JNZGDDYLAWFIHW-LLVKDONJSA-N -1 3 340.380 2.657 20 5 EFBDHM C[C@H]1COCCN1c1ccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000853361108 1300094791 /nfs/dbraw/zinc/09/47/91/1300094791.db2.gz GZQGSKZZMJRTNK-NSHDSACASA-N -1 3 330.344 2.664 20 5 EFBDHM CCCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000853458004 1300122190 /nfs/dbraw/zinc/12/21/90/1300122190.db2.gz IHSQYXKUJZGRHB-UHFFFAOYSA-N -1 3 340.380 2.754 20 5 EFBDHM CCN(CCCNC(=O)C(C)=C1CCC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001095878753 1300151760 /nfs/dbraw/zinc/15/17/60/1300151760.db2.gz FKWOOSYGXMKEQO-UHFFFAOYSA-N -1 3 348.403 2.528 20 5 EFBDHM CCC(C)(C)CC(=O)N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001097070503 1313833009 /nfs/dbraw/zinc/83/30/09/1313833009.db2.gz MADOYBABKIEGQX-XYPYZODXSA-N -1 3 336.392 2.581 20 5 EFBDHM CCCC1(C(=O)N[C@H]2C[C@@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)CCC1 ZINC001097241818 1313926449 /nfs/dbraw/zinc/92/64/49/1313926449.db2.gz HELZBIJZXPAEDB-TXEJJXNPSA-N -1 3 348.403 2.725 20 5 EFBDHM CCCC(C)(C)C(=O)N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001097248758 1313936927 /nfs/dbraw/zinc/93/69/27/1313936927.db2.gz PFVTUWUFDPQAHV-PHIMTYICSA-N -1 3 336.392 2.581 20 5 EFBDHM CC(C)CC(=O)N1CCC(C)(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001067234244 1313990129 /nfs/dbraw/zinc/99/01/29/1313990129.db2.gz MBTPRWGEFVKKMG-UHFFFAOYSA-N -1 3 336.392 2.535 20 5 EFBDHM COc1c(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cccc1[N+](=O)[O-] ZINC000796532319 1305974315 /nfs/dbraw/zinc/97/43/15/1305974315.db2.gz DDYMSCBNQUDKDM-UHFFFAOYSA-N -1 3 335.247 2.903 20 5 EFBDHM CCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCN(C(=O)C2(C)CC2)CC1 ZINC001066845799 1307201435 /nfs/dbraw/zinc/20/14/35/1307201435.db2.gz IZWSBSMKKZIAPO-UHFFFAOYSA-N -1 3 348.403 2.679 20 5 EFBDHM O=C(OCc1ccc([N+](=O)[O-])c(F)c1)c1cc(F)cc2[n-]nnc21 ZINC000800257123 1307629625 /nfs/dbraw/zinc/62/96/25/1307629625.db2.gz ARFWPHUELILQIR-UHFFFAOYSA-N -1 3 334.238 2.501 20 5 EFBDHM O=C(OCc1ccc([N+](=O)[O-])c(F)c1)c1cc(F)cc2nn[n-]c21 ZINC000800257123 1307629630 /nfs/dbraw/zinc/62/96/30/1307629630.db2.gz ARFWPHUELILQIR-UHFFFAOYSA-N -1 3 334.238 2.501 20 5 EFBDHM O=C(OCc1ccc([N+](=O)[O-])c(F)c1)c1cc(F)cc2n[n-]nc21 ZINC000800257123 1307629636 /nfs/dbraw/zinc/62/96/36/1307629636.db2.gz ARFWPHUELILQIR-UHFFFAOYSA-N -1 3 334.238 2.501 20 5 EFBDHM Cc1nc(C)c(CC(=O)O[C@@H](C)c2ccccc2[N+](=O)[O-])c(=O)[n-]1 ZINC000749058277 1314248427 /nfs/dbraw/zinc/24/84/27/1314248427.db2.gz XNOWXVUMJDXTEZ-JTQLQIEISA-N -1 3 331.328 2.554 20 5 EFBDHM O=C(NC[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1)C1CCCCC1 ZINC001046245733 1308444939 /nfs/dbraw/zinc/44/49/39/1308444939.db2.gz GNKMAEQOEGNWCE-BJHJDKERSA-N -1 3 348.403 2.582 20 5 EFBDHM O=[N+]([O-])c1cc2c(Cl)ncnc2cc1NCc1ncccc1[O-] ZINC001158771160 1311384618 /nfs/dbraw/zinc/38/46/18/1311384618.db2.gz WCQVUSZSXKULEH-UHFFFAOYSA-N -1 3 331.719 2.904 20 5 EFBDHM CCc1nc(OC2CCN(c3ccccc3[N+](=O)[O-])CC2)cc(=O)[n-]1 ZINC001226476398 1311674367 /nfs/dbraw/zinc/67/43/67/1311674367.db2.gz RLWJWZCYDKBERQ-UHFFFAOYSA-N -1 3 344.371 2.701 20 5 EFBDHM O=c1ccc2ccc([O-])c(O[C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)c2o1 ZINC001226597021 1311694709 /nfs/dbraw/zinc/69/47/09/1311694709.db2.gz QANVIFDSGGHQHH-CQSZACIVSA-N -1 3 339.303 2.953 20 5 EFBDHM COc1cc(OC[C@@H](C)OC)c2c(=O)c3c(O)ccc([O-])c3oc2c1 ZINC001227646338 1311835721 /nfs/dbraw/zinc/83/57/21/1311835721.db2.gz QMPLPDSAAKXRDM-SECBINFHSA-N -1 3 346.335 2.780 20 5 EFBDHM COc1cc(O[C@H](C)C(C)=O)c2c(c1)oc1c([O-])ccc(O)c1c2=O ZINC001227646853 1311836071 /nfs/dbraw/zinc/83/60/71/1311836071.db2.gz UTGHQJLDZKNIRG-SECBINFHSA-N -1 3 344.319 2.722 20 5 EFBDHM CC(C)Oc1cncc(COc2ncc([N+](=O)[O-])c3nc[n-]c32)c1 ZINC001227691889 1311839847 /nfs/dbraw/zinc/83/98/47/1311839847.db2.gz RQGBVXCVFZEEMZ-UHFFFAOYSA-N -1 3 329.316 2.627 20 5 EFBDHM COc1cccc2c1[C@H](Oc1ncc([N+](=O)[O-])c3nc[n-]c31)CCO2 ZINC001227689970 1311840029 /nfs/dbraw/zinc/84/00/29/1311840029.db2.gz DGALHONPCGJRAB-GFCCVEGCSA-N -1 3 342.311 2.777 20 5 EFBDHM CC(C)Oc1cc(COc2ncc([N+](=O)[O-])c3nc[n-]c32)ccn1 ZINC001227696344 1311841270 /nfs/dbraw/zinc/84/12/70/1311841270.db2.gz WMSUHNBHJPPFKH-UHFFFAOYSA-N -1 3 329.316 2.627 20 5 EFBDHM CCOC(=O)[C@H]1CCC[C@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)C1 ZINC001227743512 1311848498 /nfs/dbraw/zinc/84/84/98/1311848498.db2.gz RQJOEQOWADJNAD-JQWIXIFHSA-N -1 3 333.344 2.972 20 5 EFBDHM CCOC(=O)[C@H]1CCC[C@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC001227743512 1311848502 /nfs/dbraw/zinc/84/85/02/1311848502.db2.gz RQJOEQOWADJNAD-JQWIXIFHSA-N -1 3 333.344 2.972 20 5 EFBDHM O=[N+]([O-])c1ccc2nc(OC[C@H]3COc4cscc4O3)[n-]c2c1 ZINC001227742950 1311848669 /nfs/dbraw/zinc/84/86/69/1311848669.db2.gz GBVXQBMASRUTGL-SECBINFHSA-N -1 3 333.325 2.751 20 5 EFBDHM O=[N+]([O-])c1ccc2[n-]c(OC[C@H]3COc4cscc4O3)nc2c1 ZINC001227742950 1311848672 /nfs/dbraw/zinc/84/86/72/1311848672.db2.gz GBVXQBMASRUTGL-SECBINFHSA-N -1 3 333.325 2.751 20 5 EFBDHM Cc1cc2[n-]c(OC[C@H]3COc4ccccc4O3)nc2cc1[N+](=O)[O-] ZINC001228672773 1311979227 /nfs/dbraw/zinc/97/92/27/1311979227.db2.gz AWUKPFOLIUZMEL-LLVKDONJSA-N -1 3 341.323 2.998 20 5 EFBDHM CCOC(=O)[C@H]1CCC[C@H]1Oc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1 ZINC001228673304 1311979440 /nfs/dbraw/zinc/97/94/40/1311979440.db2.gz FOZRRHFHPNRHKO-IINYFYTJSA-N -1 3 333.344 2.890 20 5 EFBDHM Cc1[n-]c(=O)cc(O[C@H](C)c2cc(Br)no2)c1[N+](=O)[O-] ZINC001228688585 1311982455 /nfs/dbraw/zinc/98/24/55/1311982455.db2.gz JZGKCAKZKJXCAS-ZCFIWIBFSA-N -1 3 344.121 2.894 20 5 EFBDHM Cc1[n-]c(=O)cc(OCc2cnc(F)c(OC(C)C)c2)c1[N+](=O)[O-] ZINC001228689967 1311982461 /nfs/dbraw/zinc/98/24/61/1311982461.db2.gz YFPDWCMFPVMBIM-UHFFFAOYSA-N -1 3 337.307 2.904 20 5 EFBDHM Cc1[n-]c(=O)cc(OCc2cc(OC(C)C)ncc2F)c1[N+](=O)[O-] ZINC001228687764 1311982704 /nfs/dbraw/zinc/98/27/04/1311982704.db2.gz AYOQTZXETRDIKJ-UHFFFAOYSA-N -1 3 337.307 2.904 20 5 EFBDHM C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Oc1cc([O-])cc([O-])c1[N+](=O)[O-] ZINC001228972626 1312030112 /nfs/dbraw/zinc/03/01/12/1312030112.db2.gz AWVVZCGOKGXYHY-SJCJKPOMSA-N -1 3 344.367 2.905 20 5 EFBDHM C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Oc1cc([O-])cc([O-])c1[N+](=O)[O-] ZINC001228972626 1312030113 /nfs/dbraw/zinc/03/01/13/1312030113.db2.gz AWVVZCGOKGXYHY-SJCJKPOMSA-N -1 3 344.367 2.905 20 5 EFBDHM O=C(OCc1c(F)cc([N+](=O)[O-])cc1F)c1cccc2nn[n-]c21 ZINC000803452640 1312642942 /nfs/dbraw/zinc/64/29/42/1312642942.db2.gz OAAPWJKCKCQJBJ-UHFFFAOYSA-N -1 3 334.238 2.501 20 5 EFBDHM O=C(OCc1c(F)cc([N+](=O)[O-])cc1F)c1cccc2[n-]nnc21 ZINC000803452640 1312642945 /nfs/dbraw/zinc/64/29/45/1312642945.db2.gz OAAPWJKCKCQJBJ-UHFFFAOYSA-N -1 3 334.238 2.501 20 5 EFBDHM O=C(OCc1c(F)cc([N+](=O)[O-])cc1F)c1cccc2n[n-]nc21 ZINC000803452640 1312642948 /nfs/dbraw/zinc/64/29/48/1312642948.db2.gz OAAPWJKCKCQJBJ-UHFFFAOYSA-N -1 3 334.238 2.501 20 5 EFBDHM CC(C)CCc1nnc(-c2n[n-]c([N+](=O)[O-])c2Br)o1 ZINC001258332309 1316139582 /nfs/dbraw/zinc/13/95/82/1316139582.db2.gz MZGQVVGXFXOPBF-UHFFFAOYSA-N -1 3 330.142 2.719 20 5 EFBDHM CC(C)CCc1nnc(-c2[n-]nc([N+](=O)[O-])c2Br)o1 ZINC001258332309 1316139584 /nfs/dbraw/zinc/13/95/84/1316139584.db2.gz MZGQVVGXFXOPBF-UHFFFAOYSA-N -1 3 330.142 2.719 20 5 EFBDHM O=S(=O)([N-]c1cc2cccnc2c2ncccc12)C1CCOCC1 ZINC001259915561 1316297286 /nfs/dbraw/zinc/29/72/86/1316297286.db2.gz LPPYLXRYJBNHPC-UHFFFAOYSA-N -1 3 343.408 2.704 20 5 EFBDHM CN(CC1CCCCC1)c1nnc(-c2c[n-]c(=O)c([N+](=O)[O-])c2)n1C ZINC001263490934 1316546053 /nfs/dbraw/zinc/54/60/53/1316546053.db2.gz GBUYIYRUWQBDMR-UHFFFAOYSA-N -1 3 346.391 2.507 20 5 EFBDHM N[C@@H](C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CCCCC1 ZINC001326627859 1330330348 /nfs/dbraw/zinc/33/03/48/1330330348.db2.gz SGCPJQRQGDJAEK-GFCCVEGCSA-N -1 3 327.768 2.800 20 5 EFBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1(C(F)(F)F)CC1 ZINC001331701595 1330867642 /nfs/dbraw/zinc/86/76/42/1330867642.db2.gz JBVPXAAWKJPRAV-UHFFFAOYSA-N -1 3 338.307 2.530 20 5 EFBDHM O=C([O-])[C@H](CC(F)(F)F)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001331931459 1330892931 /nfs/dbraw/zinc/89/29/31/1330892931.db2.gz GKNXUWVAKVCHAO-QMMMGPOBSA-N -1 3 326.658 2.743 20 5 EFBDHM COc1cccc(N2CCC(Nc3cc[n-]c(=O)c3[N+](=O)[O-])CC2)c1 ZINC001333672455 1331192124 /nfs/dbraw/zinc/19/21/24/1331192124.db2.gz ZCJNMUCKSJKSMU-UHFFFAOYSA-N -1 3 344.371 2.785 20 5 EFBDHM CC(C)(NCc1cc(-c2nn[n-]n2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000819987777 1441937118 /nfs/dbraw/zinc/93/71/18/1441937118.db2.gz LIFRWBCRANKCLM-UHFFFAOYSA-N -1 3 344.400 2.861 20 5 EFBDHM CC(C)(NCc1cc(-c2nnn[n-]2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000819987777 1441937120 /nfs/dbraw/zinc/93/71/20/1441937120.db2.gz LIFRWBCRANKCLM-UHFFFAOYSA-N -1 3 344.400 2.861 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1cccc(-c2nn[n-]n2)c1 ZINC000822271020 1449135646 /nfs/dbraw/zinc/13/56/46/1449135646.db2.gz IUQOXRGBPFJLIB-LBPRGKRZSA-N -1 3 338.371 2.934 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1cccc(-c2nnn[n-]2)c1 ZINC000822271020 1449135654 /nfs/dbraw/zinc/13/56/54/1449135654.db2.gz IUQOXRGBPFJLIB-LBPRGKRZSA-N -1 3 338.371 2.934 20 5 EFBDHM COc1c([O-])ccc(CN2CCOC[C@@H]2c2ccc(C)o2)c1[N+](=O)[O-] ZINC000892058033 715237874 /nfs/dbraw/zinc/23/78/74/715237874.db2.gz PZSUPCJYVJADBD-CYBMUJFWSA-N -1 3 348.355 2.784 20 5 EFBDHM CCc1cnc(CN(C)Cc2ccc([O-])c(OC)c2[N+](=O)[O-])s1 ZINC000892149147 715275259 /nfs/dbraw/zinc/27/52/59/715275259.db2.gz YXBFSYCCHQLONY-UHFFFAOYSA-N -1 3 337.401 2.960 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)c(C)c1 ZINC000179624500 717811094 /nfs/dbraw/zinc/81/10/94/717811094.db2.gz REHVRAORKOSLLP-UHFFFAOYSA-N -1 3 340.332 2.852 20 5 EFBDHM O=C1[N-]C(=O)C(=CNc2ccc([N+](=O)[O-])cc2Cl)c2ccccc21 ZINC000016719562 721857008 /nfs/dbraw/zinc/85/70/08/721857008.db2.gz ZLTSZYGWLQNKIH-XYOKQWHBSA-N -1 3 343.726 2.971 20 5 EFBDHM O=C(N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1[O-] ZINC001059153207 722659321 /nfs/dbraw/zinc/65/93/21/722659321.db2.gz IIYYTZMRCMDPPW-JOCQHMNTSA-N -1 3 327.340 2.673 20 5 EFBDHM CC1(C)CC(CC(=O)N[C@H]2C[C@@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)C1 ZINC001059794706 725663761 /nfs/dbraw/zinc/66/37/61/725663761.db2.gz QGDLRXUCXGMAEQ-TXEJJXNPSA-N -1 3 348.403 2.581 20 5 EFBDHM O=C(COC(=O)c1cc2ccsc2[n-]1)Nc1ccccc1[N+](=O)[O-] ZINC000914891958 726806373 /nfs/dbraw/zinc/80/63/73/726806373.db2.gz WAJCROXYLPQZIU-UHFFFAOYSA-N -1 3 345.336 2.933 20 5 EFBDHM COc1ccc(CO[N-]C(=O)CCOc2ccccc2)cc1[N+](=O)[O-] ZINC000731841644 726940950 /nfs/dbraw/zinc/94/09/50/726940950.db2.gz JNDWLZWJXCISTC-UHFFFAOYSA-N -1 3 346.339 2.620 20 5 EFBDHM CC(C)(CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@H]1CCCCO1 ZINC000819984449 945321517 /nfs/dbraw/zinc/32/15/17/945321517.db2.gz WNLHQFFIWNXIAI-CQSZACIVSA-N -1 3 346.391 2.782 20 5 EFBDHM CC(C)(CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@H]1CCCCO1 ZINC000819984449 945321529 /nfs/dbraw/zinc/32/15/29/945321529.db2.gz WNLHQFFIWNXIAI-CQSZACIVSA-N -1 3 346.391 2.782 20 5 EFBDHM CC1(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCCCCC1 ZINC000824830292 946947302 /nfs/dbraw/zinc/94/73/02/946947302.db2.gz JDLZUNOHFOVNRK-UHFFFAOYSA-N -1 3 331.380 2.942 20 5 EFBDHM CC1(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCCCCC1 ZINC000824830292 946947309 /nfs/dbraw/zinc/94/73/09/946947309.db2.gz JDLZUNOHFOVNRK-UHFFFAOYSA-N -1 3 331.380 2.942 20 5 EFBDHM COc1ccc(CN[C@H](C(=O)[O-])c2cccc(C)c2)cc1[N+](=O)[O-] ZINC001594094631 958389966 /nfs/dbraw/zinc/38/99/66/958389966.db2.gz QYQZYIRXQUXCFF-INIZCTEOSA-N -1 3 330.340 2.827 20 5 EFBDHM CC([C@H](OC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)c1ccccc1F)[N+](=O)[O-] ZINC001588607125 959482565 /nfs/dbraw/zinc/48/25/65/959482565.db2.gz PTBSYWUKIIMKSV-DEKYYXRVSA-N -1 3 339.319 2.576 20 5 EFBDHM O=C([O-])CN(CCc1ccccc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000738607349 978572737 /nfs/dbraw/zinc/57/27/37/978572737.db2.gz KXFWVZRLKNKUEX-UHFFFAOYSA-N -1 3 332.331 2.863 20 5 EFBDHM O=C([O-])c1cnc([C@H]2CCN(Cc3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000903928033 981046467 /nfs/dbraw/zinc/04/64/67/981046467.db2.gz OQPOFXAAVOQGAU-NSHDSACASA-N -1 3 333.369 2.739 20 5 EFBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[C@H](C3CCOCC3)C2)c1 ZINC000903935322 981055257 /nfs/dbraw/zinc/05/52/57/981055257.db2.gz JFHWBZQMNCDUMH-HNNXBMFYSA-N -1 3 348.399 2.932 20 5 EFBDHM CC(C)(CC(=O)[O-])NCc1cc([N+](=O)[O-])ccc1Br ZINC001590649660 990340680 /nfs/dbraw/zinc/34/06/80/990340680.db2.gz JEJPKQSHIYCZSX-UHFFFAOYSA-N -1 3 331.166 2.700 20 5 EFBDHM COc1cccc([C@H](NCc2ccc([N+](=O)[O-])cc2C)C(=O)[O-])c1 ZINC001599687796 991015936 /nfs/dbraw/zinc/01/59/36/991015936.db2.gz CTJYGQNMZFPJDM-INIZCTEOSA-N -1 3 330.340 2.827 20 5 EFBDHM C[C@@H](NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC001593288997 994660631 /nfs/dbraw/zinc/66/06/31/994660631.db2.gz OPRVTUXOJUZTRY-ABAIWWIYSA-N -1 3 342.351 2.947 20 5 EFBDHM C[C@@H](NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC001593289000 994660794 /nfs/dbraw/zinc/66/07/94/994660794.db2.gz OPRVTUXOJUZTRY-IAQYHMDHSA-N -1 3 342.351 2.947 20 5 EFBDHM C[C@H](NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC001593289006 994661089 /nfs/dbraw/zinc/66/10/89/994661089.db2.gz OPRVTUXOJUZTRY-XHDPSFHLSA-N -1 3 342.351 2.947 20 5 EFBDHM C[C@](NCc1ccc2c[nH]nc2c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593304276 994742893 /nfs/dbraw/zinc/74/28/93/994742893.db2.gz KITXJQVIMKMKPV-QGZVFWFLSA-N -1 3 340.339 2.561 20 5 EFBDHM C[C@](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)(C(=O)[O-])C1CC1 ZINC001593312374 994800241 /nfs/dbraw/zinc/80/02/41/994800241.db2.gz VAZXMABMVOBUPH-MRXNPFEDSA-N -1 3 331.328 2.593 20 5 EFBDHM COc1cc(CN([C@@H](C)C(=O)[O-])C2CCC2)c([N+](=O)[O-])cc1F ZINC001599404886 997279098 /nfs/dbraw/zinc/27/90/98/997279098.db2.gz DVJGHSPUFRAQEV-VIFPVBQESA-N -1 3 326.324 2.570 20 5 EFBDHM CCN(Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC001578174731 1090290887 /nfs/dbraw/zinc/29/08/87/1090290887.db2.gz PRAJODFLCHUVPN-UHFFFAOYSA-N -1 3 342.334 2.941 20 5 EFBDHM CCN(Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC001578174731 1090290892 /nfs/dbraw/zinc/29/08/92/1090290892.db2.gz PRAJODFLCHUVPN-UHFFFAOYSA-N -1 3 342.334 2.941 20 5 EFBDHM CCOc1ccc(Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])cc1 ZINC001578398062 1090362426 /nfs/dbraw/zinc/36/24/26/1090362426.db2.gz LJUUGIVJJYEVST-UHFFFAOYSA-N -1 3 326.316 2.917 20 5 EFBDHM CCOc1ccc(Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])cc1 ZINC001578398062 1090362430 /nfs/dbraw/zinc/36/24/30/1090362430.db2.gz LJUUGIVJJYEVST-UHFFFAOYSA-N -1 3 326.316 2.917 20 5 EFBDHM CN(C)c1cc(F)cc(Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])c1 ZINC001578996965 1090495489 /nfs/dbraw/zinc/49/54/89/1090495489.db2.gz LLNJHLXGFUAGCJ-UHFFFAOYSA-N -1 3 343.322 2.724 20 5 EFBDHM CN(C)c1cc(F)cc(Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])c1 ZINC001578996965 1090495493 /nfs/dbraw/zinc/49/54/93/1090495493.db2.gz LLNJHLXGFUAGCJ-UHFFFAOYSA-N -1 3 343.322 2.724 20 5 EFBDHM COc1ccc([N+](=O)[O-])c(OCc2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC001580049860 1090755653 /nfs/dbraw/zinc/75/56/53/1090755653.db2.gz VFPCGDBOEFBGPC-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1ccc([N+](=O)[O-])c(OCc2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC001580049860 1090755656 /nfs/dbraw/zinc/75/56/56/1090755656.db2.gz VFPCGDBOEFBGPC-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM Nc1ccc(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)c([O-])c1 ZINC001580440113 1090900506 /nfs/dbraw/zinc/90/05/06/1090900506.db2.gz QVRBOEGKUPKJDR-UHFFFAOYSA-N -1 3 339.710 2.605 20 5 EFBDHM Cc1ccc(CNc2ccc(F)cc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001581200227 1091091679 /nfs/dbraw/zinc/09/16/79/1091091679.db2.gz BNQOAHGAAZLXJE-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM Cc1ccc(CNc2ccc(F)cc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001581200227 1091091684 /nfs/dbraw/zinc/09/16/84/1091091684.db2.gz BNQOAHGAAZLXJE-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM Cc1ccc(COc2ccc([N+](=O)[O-])c(F)c2F)cc1-c1nnn[n-]1 ZINC001581201745 1091092793 /nfs/dbraw/zinc/09/27/93/1091092793.db2.gz RCALQANELOAOKQ-UHFFFAOYSA-N -1 3 347.281 2.941 20 5 EFBDHM Cc1ccc(COc2ccc([N+](=O)[O-])c(F)c2F)cc1-c1nn[n-]n1 ZINC001581201745 1091092798 /nfs/dbraw/zinc/09/27/98/1091092798.db2.gz RCALQANELOAOKQ-UHFFFAOYSA-N -1 3 347.281 2.941 20 5 EFBDHM Cc1ccnc(NC[C@@H](C)c2ccccc2[N+](=O)[O-])c1-c1nnn[n-]1 ZINC001581281662 1091112001 /nfs/dbraw/zinc/11/20/01/1091112001.db2.gz OAHBVTYFNWWEIX-LLVKDONJSA-N -1 3 339.359 2.694 20 5 EFBDHM Cc1ccnc(NC[C@@H](C)c2ccccc2[N+](=O)[O-])c1-c1nn[n-]n1 ZINC001581281662 1091112005 /nfs/dbraw/zinc/11/20/05/1091112005.db2.gz OAHBVTYFNWWEIX-LLVKDONJSA-N -1 3 339.359 2.694 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1Oc1ccc(Cl)nc1 ZINC001582803624 1091668666 /nfs/dbraw/zinc/66/86/66/1091668666.db2.gz OGNXKCHAYCHXPS-UHFFFAOYSA-N -1 3 336.670 2.755 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CCCC[C@H]2C2CCC2)c(-c2nnn[n-]2)c1 ZINC001582804068 1091669293 /nfs/dbraw/zinc/66/92/93/1091669293.db2.gz HTDRFCIDNXEGHX-AWEZNQCLSA-N -1 3 328.376 2.934 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CCCC[C@H]2C2CCC2)c(-c2nn[n-]n2)c1 ZINC001582804068 1091669296 /nfs/dbraw/zinc/66/92/96/1091669296.db2.gz HTDRFCIDNXEGHX-AWEZNQCLSA-N -1 3 328.376 2.934 20 5 EFBDHM O=[N+]([O-])c1ccc(N(CC2CC2)CC2CCC2)c(-c2nnn[n-]2)c1 ZINC001582804690 1091670497 /nfs/dbraw/zinc/67/04/97/1091670497.db2.gz YUNLVRYWDCTJNP-UHFFFAOYSA-N -1 3 328.376 2.791 20 5 EFBDHM O=[N+]([O-])c1ccc(N(CC2CC2)CC2CCC2)c(-c2nn[n-]n2)c1 ZINC001582804690 1091670500 /nfs/dbraw/zinc/67/05/00/1091670500.db2.gz YUNLVRYWDCTJNP-UHFFFAOYSA-N -1 3 328.376 2.791 20 5 EFBDHM O=[N+]([O-])c1ccccc1-c1cnn(Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001582804419 1091670586 /nfs/dbraw/zinc/67/05/86/1091670586.db2.gz CNCNJDGFGJOYCJ-UHFFFAOYSA-N -1 3 347.338 2.687 20 5 EFBDHM O=[N+]([O-])c1ccccc1-c1cnn(Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001582804419 1091670589 /nfs/dbraw/zinc/67/05/89/1091670589.db2.gz CNCNJDGFGJOYCJ-UHFFFAOYSA-N -1 3 347.338 2.687 20 5 EFBDHM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001584017880 1092097776 /nfs/dbraw/zinc/09/77/76/1092097776.db2.gz CDIQQWLGVRGNTQ-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001584017880 1092097787 /nfs/dbraw/zinc/09/77/87/1092097787.db2.gz CDIQQWLGVRGNTQ-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM O=C(NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC1)C1=CCCC1 ZINC001104390597 1092258847 /nfs/dbraw/zinc/25/88/47/1092258847.db2.gz JFJRVSCIFOXCBW-UHFFFAOYSA-N -1 3 346.387 2.647 20 5 EFBDHM C/C(=C/C(C)(C)C)C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001588767864 1092984883 /nfs/dbraw/zinc/98/48/83/1092984883.db2.gz HDUQWGBGMBRSSU-NTMALXAHSA-N -1 3 345.359 2.811 20 5 EFBDHM C/C(=C/C(C)(C)C)C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001588767864 1092984893 /nfs/dbraw/zinc/98/48/93/1092984893.db2.gz HDUQWGBGMBRSSU-NTMALXAHSA-N -1 3 345.359 2.811 20 5 EFBDHM CC(C)(C)[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CCO1 ZINC001589099594 1093030075 /nfs/dbraw/zinc/03/00/75/1093030075.db2.gz PGVDTQDMRMYIGT-FZMZJTMJSA-N -1 3 346.391 2.781 20 5 EFBDHM CC(C)(C)O[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001589198169 1093046102 /nfs/dbraw/zinc/04/61/02/1093046102.db2.gz RAOKVALAJRKAOI-PHIMTYICSA-N -1 3 332.364 2.533 20 5 EFBDHM CC(C)(C)O[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001589198169 1093046116 /nfs/dbraw/zinc/04/61/16/1093046116.db2.gz RAOKVALAJRKAOI-PHIMTYICSA-N -1 3 332.364 2.533 20 5 EFBDHM CC(C)(C)OC[C@@H]1CCCN1c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589199179 1093047069 /nfs/dbraw/zinc/04/70/69/1093047069.db2.gz YIMUEZIKBAIQHF-NSHDSACASA-N -1 3 346.391 2.559 20 5 EFBDHM CC(C)(C)OC[C@@H]1CCCN1c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589199179 1093047074 /nfs/dbraw/zinc/04/70/74/1093047074.db2.gz YIMUEZIKBAIQHF-NSHDSACASA-N -1 3 346.391 2.559 20 5 EFBDHM CC(C)(CC(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CC1 ZINC001589270048 1093062385 /nfs/dbraw/zinc/06/23/85/1093062385.db2.gz TYLWJBRGFMZYIZ-UHFFFAOYSA-N -1 3 345.359 2.644 20 5 EFBDHM CC(C)(CC(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CC1 ZINC001589270048 1093062394 /nfs/dbraw/zinc/06/23/94/1093062394.db2.gz TYLWJBRGFMZYIZ-UHFFFAOYSA-N -1 3 345.359 2.644 20 5 EFBDHM CC(C)[C@@H]1OCCC[C@H]1CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589520946 1093103503 /nfs/dbraw/zinc/10/35/03/1093103503.db2.gz LTNCEWORXLENIJ-NHYWBVRUSA-N -1 3 346.391 2.638 20 5 EFBDHM CC(C)[C@@H]1OCCC[C@H]1CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589520946 1093103508 /nfs/dbraw/zinc/10/35/08/1093103508.db2.gz LTNCEWORXLENIJ-NHYWBVRUSA-N -1 3 346.391 2.638 20 5 EFBDHM CC(C)CC1(C)CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001589566062 1093105980 /nfs/dbraw/zinc/10/59/80/1093105980.db2.gz KFGTYPCQVQIHCV-UHFFFAOYSA-N -1 3 345.407 2.823 20 5 EFBDHM CC(C)CC1(C)CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001589566062 1093105984 /nfs/dbraw/zinc/10/59/84/1093105984.db2.gz KFGTYPCQVQIHCV-UHFFFAOYSA-N -1 3 345.407 2.823 20 5 EFBDHM CC(C)C[C@@H]1OCCC[C@H]1Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001589573352 1093108108 /nfs/dbraw/zinc/10/81/08/1093108108.db2.gz JSJPEVZMGLHYLO-HIFRSBDPSA-N -1 3 346.391 2.781 20 5 EFBDHM CC(C)C[C@H]1OCCC[C@@H]1Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001589573351 1093109065 /nfs/dbraw/zinc/10/90/65/1093109065.db2.gz JSJPEVZMGLHYLO-DZGCQCFKSA-N -1 3 346.391 2.781 20 5 EFBDHM CC(C)C[C@@H]1OCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001589573965 1093109628 /nfs/dbraw/zinc/10/96/28/1093109628.db2.gz PVBPNOFHUKFMCR-CABCVRRESA-N -1 3 346.391 2.781 20 5 EFBDHM CC(C)C[C@@H]1OCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001589573965 1093109634 /nfs/dbraw/zinc/10/96/34/1093109634.db2.gz PVBPNOFHUKFMCR-CABCVRRESA-N -1 3 346.391 2.781 20 5 EFBDHM CC(C)CCC1CCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001589586741 1093110902 /nfs/dbraw/zinc/11/09/02/1093110902.db2.gz NFZVHRXZMJWLKH-UHFFFAOYSA-N -1 3 345.407 2.823 20 5 EFBDHM CC(C)CCC1CCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001589586741 1093110905 /nfs/dbraw/zinc/11/09/05/1093110905.db2.gz NFZVHRXZMJWLKH-UHFFFAOYSA-N -1 3 345.407 2.823 20 5 EFBDHM CC(C)CSCCNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589653246 1093120912 /nfs/dbraw/zinc/12/09/12/1093120912.db2.gz AVYSMJILNSGHRO-UHFFFAOYSA-N -1 3 340.384 2.715 20 5 EFBDHM CC(C)CSCCNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589653246 1093120916 /nfs/dbraw/zinc/12/09/16/1093120916.db2.gz AVYSMJILNSGHRO-UHFFFAOYSA-N -1 3 340.384 2.715 20 5 EFBDHM CC(C)OC1(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCC1 ZINC001589737043 1093129037 /nfs/dbraw/zinc/12/90/37/1093129037.db2.gz GWOXGXLVUWUYEZ-UHFFFAOYSA-N -1 3 332.364 2.535 20 5 EFBDHM CC(C)OC1(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCC1 ZINC001589737043 1093129041 /nfs/dbraw/zinc/12/90/41/1093129041.db2.gz GWOXGXLVUWUYEZ-UHFFFAOYSA-N -1 3 332.364 2.535 20 5 EFBDHM C[C@@H](Cc1ccsc1)N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589902265 1093174871 /nfs/dbraw/zinc/17/48/71/1093174871.db2.gz LOZSFGZYUDRUES-JTQLQIEISA-N -1 3 344.400 2.904 20 5 EFBDHM C[C@@H](Cc1ccsc1)N(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589902265 1093174872 /nfs/dbraw/zinc/17/48/72/1093174872.db2.gz LOZSFGZYUDRUES-JTQLQIEISA-N -1 3 344.400 2.904 20 5 EFBDHM C[C@@H](OC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1[N+](=O)[O-] ZINC001590010218 1093221628 /nfs/dbraw/zinc/22/16/28/1093221628.db2.gz HHDISNRAAFVCPQ-SNVBAGLBSA-N -1 3 339.311 2.693 20 5 EFBDHM C[C@@H](OC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1[N+](=O)[O-] ZINC001590010218 1093221632 /nfs/dbraw/zinc/22/16/32/1093221632.db2.gz HHDISNRAAFVCPQ-SNVBAGLBSA-N -1 3 339.311 2.693 20 5 EFBDHM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1[N+](=O)[O-] ZINC001590013840 1093223057 /nfs/dbraw/zinc/22/30/57/1093223057.db2.gz SJCSNNOISDZJQF-SNVBAGLBSA-N -1 3 339.311 2.693 20 5 EFBDHM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC001590013840 1093223060 /nfs/dbraw/zinc/22/30/60/1093223060.db2.gz SJCSNNOISDZJQF-SNVBAGLBSA-N -1 3 339.311 2.693 20 5 EFBDHM C[C@@H](SCc1cn(C)nc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC001590033540 1093229167 /nfs/dbraw/zinc/22/91/67/1093229167.db2.gz NXNCSQXJICYIGK-SECBINFHSA-N -1 3 345.388 2.503 20 5 EFBDHM C[C@@H](SCc1cn(C)nc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC001590033540 1093229174 /nfs/dbraw/zinc/22/91/74/1093229174.db2.gz NXNCSQXJICYIGK-SECBINFHSA-N -1 3 345.388 2.503 20 5 EFBDHM CC1(C)C[C@@H](CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C(C)(C)O1 ZINC001590081585 1093255021 /nfs/dbraw/zinc/25/50/21/1093255021.db2.gz XFKSMLFIQJAERW-NSHDSACASA-N -1 3 346.391 2.781 20 5 EFBDHM CC1(C)C[C@@H](CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C(C)(C)O1 ZINC001590081585 1093255025 /nfs/dbraw/zinc/25/50/25/1093255025.db2.gz XFKSMLFIQJAERW-NSHDSACASA-N -1 3 346.391 2.781 20 5 EFBDHM CC1(C)CCC[C@@H](CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])O1 ZINC001590092605 1093262270 /nfs/dbraw/zinc/26/22/70/1093262270.db2.gz CETQUULYCXREEX-NSHDSACASA-N -1 3 332.364 2.535 20 5 EFBDHM CC1(C)CCC[C@@H](CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])O1 ZINC001590092605 1093262275 /nfs/dbraw/zinc/26/22/75/1093262275.db2.gz CETQUULYCXREEX-NSHDSACASA-N -1 3 332.364 2.535 20 5 EFBDHM CC1(C)CCC[C@H](CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])O1 ZINC001590093419 1093265250 /nfs/dbraw/zinc/26/52/50/1093265250.db2.gz IWWZZPUANCBKKW-SNVBAGLBSA-N -1 3 332.364 2.535 20 5 EFBDHM CC1(C)CCC[C@H](CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])O1 ZINC001590093419 1093265253 /nfs/dbraw/zinc/26/52/53/1093265253.db2.gz IWWZZPUANCBKKW-SNVBAGLBSA-N -1 3 332.364 2.535 20 5 EFBDHM CC1(CC(=O)OCc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCCC1 ZINC001590123640 1093275860 /nfs/dbraw/zinc/27/58/60/1093275860.db2.gz QQBBBPKXNLDLOF-UHFFFAOYSA-N -1 3 345.359 2.789 20 5 EFBDHM CC1(CC(=O)OCc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCCC1 ZINC001590123640 1093275866 /nfs/dbraw/zinc/27/58/66/1093275866.db2.gz QQBBBPKXNLDLOF-UHFFFAOYSA-N -1 3 345.359 2.789 20 5 EFBDHM CC1(CC(F)(F)F)CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590122925 1093275877 /nfs/dbraw/zinc/27/58/77/1093275877.db2.gz BGTIMUZHLWHROY-UHFFFAOYSA-N -1 3 342.281 2.554 20 5 EFBDHM CC1(CC(F)(F)F)CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590122925 1093275881 /nfs/dbraw/zinc/27/58/81/1093275881.db2.gz BGTIMUZHLWHROY-UHFFFAOYSA-N -1 3 342.281 2.554 20 5 EFBDHM CC1(C2CC2)CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001590122488 1093276717 /nfs/dbraw/zinc/27/67/17/1093276717.db2.gz WVSIFPVYUPHZRH-UHFFFAOYSA-N -1 3 328.376 2.791 20 5 EFBDHM CC1(C2CC2)CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001590122488 1093276721 /nfs/dbraw/zinc/27/67/21/1093276721.db2.gz WVSIFPVYUPHZRH-UHFFFAOYSA-N -1 3 328.376 2.791 20 5 EFBDHM CC1(c2ccccc2)CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001590152536 1093286602 /nfs/dbraw/zinc/28/66/02/1093286602.db2.gz CGGKEDYXEWAZGA-UHFFFAOYSA-N -1 3 336.355 2.553 20 5 EFBDHM CC1(c2ccccc2)CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001590152536 1093286606 /nfs/dbraw/zinc/28/66/06/1093286606.db2.gz CGGKEDYXEWAZGA-UHFFFAOYSA-N -1 3 336.355 2.553 20 5 EFBDHM C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C[C@@H](C)C1 ZINC001590186534 1093296382 /nfs/dbraw/zinc/29/63/82/1093296382.db2.gz DQUGHBLGAIVUDU-MYJAWHEDSA-N -1 3 331.380 2.594 20 5 EFBDHM C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C[C@@H](C)C1 ZINC001590186534 1093296387 /nfs/dbraw/zinc/29/63/87/1093296387.db2.gz DQUGHBLGAIVUDU-MYJAWHEDSA-N -1 3 331.380 2.594 20 5 EFBDHM C[C@H]1CC[C@@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001590236049 1093324175 /nfs/dbraw/zinc/32/41/75/1093324175.db2.gz FROVKBIXVLKAAP-VHSXEESVSA-N -1 3 339.359 2.924 20 5 EFBDHM C[C@H]1CC[C@@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001590236049 1093324181 /nfs/dbraw/zinc/32/41/81/1093324181.db2.gz FROVKBIXVLKAAP-VHSXEESVSA-N -1 3 339.359 2.924 20 5 EFBDHM C[C@@H]1CCCC[C@@H]1OCCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590254471 1093342072 /nfs/dbraw/zinc/34/20/72/1093342072.db2.gz MOORWEFYTHRFAD-RISCZKNCSA-N -1 3 346.391 2.782 20 5 EFBDHM C[C@@H]1CCCC[C@@H]1OCCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590254471 1093342080 /nfs/dbraw/zinc/34/20/80/1093342080.db2.gz MOORWEFYTHRFAD-RISCZKNCSA-N -1 3 346.391 2.782 20 5 EFBDHM C[C@H]1CCCC[C@@H]1OCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590255210 1093346269 /nfs/dbraw/zinc/34/62/69/1093346269.db2.gz RIOGOTBEOVSYMI-NHYWBVRUSA-N -1 3 346.391 2.782 20 5 EFBDHM C[C@H]1CCCC[C@@H]1OCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590255210 1093346273 /nfs/dbraw/zinc/34/62/73/1093346273.db2.gz RIOGOTBEOVSYMI-NHYWBVRUSA-N -1 3 346.391 2.782 20 5 EFBDHM C[C@@H]1Cc2cc(Nc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)ccc2O1 ZINC001590329975 1093379431 /nfs/dbraw/zinc/37/94/31/1093379431.db2.gz SJRBABQFPQIWNI-SECBINFHSA-N -1 3 338.327 2.842 20 5 EFBDHM C[C@@H]1Cc2cc(Nc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)ccc2O1 ZINC001590329975 1093379438 /nfs/dbraw/zinc/37/94/38/1093379438.db2.gz SJRBABQFPQIWNI-SECBINFHSA-N -1 3 338.327 2.842 20 5 EFBDHM CC[C@H](Nc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CCCCC1 ZINC001590475699 1093446266 /nfs/dbraw/zinc/44/62/66/1093446266.db2.gz YCLQAAKAJUKZIT-LBPRGKRZSA-N -1 3 331.380 2.941 20 5 EFBDHM CC[C@H](Nc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CCCCC1 ZINC001590475699 1093446269 /nfs/dbraw/zinc/44/62/69/1093446269.db2.gz YCLQAAKAJUKZIT-LBPRGKRZSA-N -1 3 331.380 2.941 20 5 EFBDHM CCC1(C)CN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001590490786 1093451957 /nfs/dbraw/zinc/45/19/57/1093451957.db2.gz TYHUFAQAOWBEHG-UHFFFAOYSA-N -1 3 339.359 2.559 20 5 EFBDHM CCC1(C)CN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001590490786 1093451962 /nfs/dbraw/zinc/45/19/62/1093451962.db2.gz TYHUFAQAOWBEHG-UHFFFAOYSA-N -1 3 339.359 2.559 20 5 EFBDHM CCC/C(C)=C\C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590543517 1093477920 /nfs/dbraw/zinc/47/79/20/1093477920.db2.gz NFOXZUSJSJYDNB-NTMALXAHSA-N -1 3 331.332 2.565 20 5 EFBDHM CCC/C(C)=C\C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590543517 1093477923 /nfs/dbraw/zinc/47/79/23/1093477923.db2.gz NFOXZUSJSJYDNB-NTMALXAHSA-N -1 3 331.332 2.565 20 5 EFBDHM CCCO[C@@H]1CCCN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001590640443 1093528942 /nfs/dbraw/zinc/52/89/42/1093528942.db2.gz DYDVVMLCVMJQIY-GFCCVEGCSA-N -1 3 346.391 2.560 20 5 EFBDHM CCCO[C@@H]1CCCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1 ZINC001590640443 1093528947 /nfs/dbraw/zinc/52/89/47/1093528947.db2.gz DYDVVMLCVMJQIY-GFCCVEGCSA-N -1 3 346.391 2.560 20 5 EFBDHM CCCO[C@H]1CCCN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001590640444 1093528988 /nfs/dbraw/zinc/52/89/88/1093528988.db2.gz DYDVVMLCVMJQIY-LBPRGKRZSA-N -1 3 346.391 2.560 20 5 EFBDHM CCCO[C@H]1CCCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1 ZINC001590640444 1093528991 /nfs/dbraw/zinc/52/89/91/1093528991.db2.gz DYDVVMLCVMJQIY-LBPRGKRZSA-N -1 3 346.391 2.560 20 5 EFBDHM CCCc1nc(C)c(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)o1 ZINC001590660420 1093533622 /nfs/dbraw/zinc/53/36/22/1093533622.db2.gz NEIXFAOPMUKYOY-UHFFFAOYSA-N -1 3 343.347 2.636 20 5 EFBDHM CCN(Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[C@H](C)C(F)(F)F ZINC001590717619 1093552442 /nfs/dbraw/zinc/55/24/42/1093552442.db2.gz XULVNFRFMXHGHW-MRVPVSSYSA-N -1 3 344.297 2.548 20 5 EFBDHM CCN(Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[C@H](C)C(F)(F)F ZINC001590717619 1093552453 /nfs/dbraw/zinc/55/24/53/1093552453.db2.gz XULVNFRFMXHGHW-MRVPVSSYSA-N -1 3 344.297 2.548 20 5 EFBDHM CCO[C@@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590818941 1093580351 /nfs/dbraw/zinc/58/03/51/1093580351.db2.gz FZUAUEQQEQLKPI-ZIAGYGMSSA-N -1 3 332.364 2.535 20 5 EFBDHM CCO[C@@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590818941 1093580355 /nfs/dbraw/zinc/58/03/55/1093580355.db2.gz FZUAUEQQEQLKPI-ZIAGYGMSSA-N -1 3 332.364 2.535 20 5 EFBDHM CCOc1cc(COc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC001590826937 1093583512 /nfs/dbraw/zinc/58/35/12/1093583512.db2.gz PTQYSAKSQJCSPG-UHFFFAOYSA-N -1 3 341.327 2.753 20 5 EFBDHM CCOc1ccc(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])cc1 ZINC001590835663 1093589743 /nfs/dbraw/zinc/58/97/43/1093589743.db2.gz DVOFADVJNORYHA-UHFFFAOYSA-N -1 3 340.343 2.786 20 5 EFBDHM CCOc1ccc(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])cc1 ZINC001590835663 1093589748 /nfs/dbraw/zinc/58/97/48/1093589748.db2.gz DVOFADVJNORYHA-UHFFFAOYSA-N -1 3 340.343 2.786 20 5 EFBDHM CCOc1ccc(Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])cc1 ZINC001590838766 1093591344 /nfs/dbraw/zinc/59/13/44/1093591344.db2.gz BCJNNUAZIGGINB-UHFFFAOYSA-N -1 3 326.316 2.917 20 5 EFBDHM CCOc1ccc(Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])cc1 ZINC001590838766 1093591351 /nfs/dbraw/zinc/59/13/51/1093591351.db2.gz BCJNNUAZIGGINB-UHFFFAOYSA-N -1 3 326.316 2.917 20 5 EFBDHM CCOc1ccccc1CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590842934 1093595320 /nfs/dbraw/zinc/59/53/20/1093595320.db2.gz NBBVZLZFLZPYOX-UHFFFAOYSA-N -1 3 340.343 2.786 20 5 EFBDHM CCS[C@H]1CCC[C@H]1Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590850221 1093597732 /nfs/dbraw/zinc/59/77/32/1093597732.db2.gz HVAQOTHSABFGJE-YPMHNXCESA-N -1 3 334.405 2.861 20 5 EFBDHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2ccccc2[N+](=O)[O-])s1 ZINC001590876368 1093609982 /nfs/dbraw/zinc/60/99/82/1093609982.db2.gz WXINNAYHQSGTOA-UHFFFAOYSA-N -1 3 344.356 2.651 20 5 EFBDHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2ccccc2[N+](=O)[O-])s1 ZINC001590876368 1093609987 /nfs/dbraw/zinc/60/99/87/1093609987.db2.gz WXINNAYHQSGTOA-UHFFFAOYSA-N -1 3 344.356 2.651 20 5 EFBDHM CCc1cc(Nc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)ccc1F ZINC001590884115 1093615777 /nfs/dbraw/zinc/61/57/77/1093615777.db2.gz ZPWZAVQWQLIDLZ-UHFFFAOYSA-N -1 3 343.322 2.802 20 5 EFBDHM CCc1cc(Nc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)ccc1F ZINC001590884115 1093615779 /nfs/dbraw/zinc/61/57/79/1093615779.db2.gz ZPWZAVQWQLIDLZ-UHFFFAOYSA-N -1 3 343.322 2.802 20 5 EFBDHM CCc1csc([C@H](C)Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)n1 ZINC001590902881 1093628085 /nfs/dbraw/zinc/62/80/85/1093628085.db2.gz XRVCUHPKJOTXAD-QMMMGPOBSA-N -1 3 345.388 2.967 20 5 EFBDHM CN(Cc1c(F)cccc1F)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591127104 1093664673 /nfs/dbraw/zinc/66/46/73/1093664673.db2.gz XRRBDGXJXXBOSD-UHFFFAOYSA-N -1 3 346.297 2.690 20 5 EFBDHM CN(Cc1c(F)cccc1F)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591127104 1093664678 /nfs/dbraw/zinc/66/46/78/1093664678.db2.gz XRRBDGXJXXBOSD-UHFFFAOYSA-N -1 3 346.297 2.690 20 5 EFBDHM CN(Cc1cc(F)cc(F)c1)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001591129828 1093667065 /nfs/dbraw/zinc/66/70/65/1093667065.db2.gz FIRQDKKPHACMOE-UHFFFAOYSA-N -1 3 346.297 2.690 20 5 EFBDHM CN(Cc1ccccc1F)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001591148720 1093674151 /nfs/dbraw/zinc/67/41/51/1093674151.db2.gz ACEOUPSGIJGXOO-UHFFFAOYSA-N -1 3 328.307 2.550 20 5 EFBDHM CN(Cc1ccccc1F)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591148720 1093674155 /nfs/dbraw/zinc/67/41/55/1093674155.db2.gz ACEOUPSGIJGXOO-UHFFFAOYSA-N -1 3 328.307 2.550 20 5 EFBDHM COC(C)(C)CCSCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591317139 1093690115 /nfs/dbraw/zinc/69/01/15/1093690115.db2.gz VIPPKXDVYCKTHE-UHFFFAOYSA-N -1 3 337.405 2.823 20 5 EFBDHM COC(C)(C)CCSCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591317139 1093690118 /nfs/dbraw/zinc/69/01/18/1093690118.db2.gz VIPPKXDVYCKTHE-UHFFFAOYSA-N -1 3 337.405 2.823 20 5 EFBDHM COC1(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCC(C)CC1 ZINC001591342376 1093699499 /nfs/dbraw/zinc/69/94/99/1093699499.db2.gz MGHOUCZSXDYEDI-UHFFFAOYSA-N -1 3 346.391 2.782 20 5 EFBDHM COC1(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCC(C)CC1 ZINC001591342376 1093699502 /nfs/dbraw/zinc/69/95/02/1093699502.db2.gz MGHOUCZSXDYEDI-UHFFFAOYSA-N -1 3 346.391 2.782 20 5 EFBDHM COc1cc(OCc2cc(F)ccc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001591553026 1093765495 /nfs/dbraw/zinc/76/54/95/1093765495.db2.gz RFZSQBGNUIQRJK-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1cc(OCc2cc(F)ccc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591553026 1093765502 /nfs/dbraw/zinc/76/55/02/1093765502.db2.gz RFZSQBGNUIQRJK-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1COc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001591554525 1093766603 /nfs/dbraw/zinc/76/66/03/1093766603.db2.gz BYMONFNJAXYJKW-UHFFFAOYSA-N -1 3 341.327 2.671 20 5 EFBDHM COc1ccc(COc2ccc(-c3nn[n-]n3)c(C)c2)cc1[N+](=O)[O-] ZINC001591602519 1093789443 /nfs/dbraw/zinc/78/94/43/1093789443.db2.gz JIULEQFQZIIKOR-UHFFFAOYSA-N -1 3 341.327 2.671 20 5 EFBDHM COc1ccc(OCc2ccc(-c3nnn[n-]3)cc2F)c([N+](=O)[O-])c1 ZINC001591620764 1093801042 /nfs/dbraw/zinc/80/10/42/1093801042.db2.gz QSRQDGQJVOPEDI-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1ccc(OCc2ccc(-c3nn[n-]n3)cc2F)c([N+](=O)[O-])c1 ZINC001591620764 1093801050 /nfs/dbraw/zinc/80/10/50/1093801050.db2.gz QSRQDGQJVOPEDI-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1ccc([N+](=O)[O-])cc1O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001591622769 1093803024 /nfs/dbraw/zinc/80/30/24/1093803024.db2.gz BPQPAXZYOLELOP-SNVBAGLBSA-N -1 3 341.327 2.924 20 5 EFBDHM COc1ccc([N+](=O)[O-])cc1O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001591622769 1093803030 /nfs/dbraw/zinc/80/30/30/1093803030.db2.gz BPQPAXZYOLELOP-SNVBAGLBSA-N -1 3 341.327 2.924 20 5 EFBDHM COc1ccc([N+](=O)[O-])cc1OCc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001591622760 1093804163 /nfs/dbraw/zinc/80/41/63/1093804163.db2.gz BJDWUVADRVACHY-UHFFFAOYSA-N -1 3 341.327 2.671 20 5 EFBDHM COc1ccc([N+](=O)[O-])cc1OCc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001591622760 1093804166 /nfs/dbraw/zinc/80/41/66/1093804166.db2.gz BJDWUVADRVACHY-UHFFFAOYSA-N -1 3 341.327 2.671 20 5 EFBDHM CSC1(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCCCC1 ZINC001591691438 1093827020 /nfs/dbraw/zinc/82/70/20/1093827020.db2.gz FXGPFQYKSZHSIL-UHFFFAOYSA-N -1 3 349.420 2.648 20 5 EFBDHM CSC1(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCCCC1 ZINC001591691438 1093827022 /nfs/dbraw/zinc/82/70/22/1093827022.db2.gz FXGPFQYKSZHSIL-UHFFFAOYSA-N -1 3 349.420 2.648 20 5 EFBDHM C[C@@H](OC(=O)c1cscc1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC001591732468 1093846731 /nfs/dbraw/zinc/84/67/31/1093846731.db2.gz FRXZWPTVERGFFZ-MRVPVSSYSA-N -1 3 345.340 2.754 20 5 EFBDHM C[C@@H](OC(=O)c1cscc1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC001591732468 1093846741 /nfs/dbraw/zinc/84/67/41/1093846741.db2.gz FRXZWPTVERGFFZ-MRVPVSSYSA-N -1 3 345.340 2.754 20 5 EFBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC001591730059 1093847825 /nfs/dbraw/zinc/84/78/25/1093847825.db2.gz PQZMBPYPGWAJCE-MRVPVSSYSA-N -1 3 345.750 2.996 20 5 EFBDHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC001591730059 1093847830 /nfs/dbraw/zinc/84/78/30/1093847830.db2.gz PQZMBPYPGWAJCE-MRVPVSSYSA-N -1 3 345.750 2.996 20 5 EFBDHM Cc1c(Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)cnn1CC(C)C ZINC001591828464 1093875963 /nfs/dbraw/zinc/87/59/63/1093875963.db2.gz LDTHGVGYEATCOY-UHFFFAOYSA-N -1 3 342.363 2.679 20 5 EFBDHM Cc1c(NCc2ccc(-c3nnn[n-]3)c(F)c2)cccc1[N+](=O)[O-] ZINC001591829539 1093876221 /nfs/dbraw/zinc/87/62/21/1093876221.db2.gz NFQWNGZWNHKKRU-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM Cc1c(NCc2ccc(-c3nn[n-]n3)c(F)c2)cccc1[N+](=O)[O-] ZINC001591829539 1093876226 /nfs/dbraw/zinc/87/62/26/1093876226.db2.gz NFQWNGZWNHKKRU-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM Cc1cc(-c2nn[n-]n2)ccc1OCc1cccc([N+](=O)[O-])c1C ZINC001591869640 1093904109 /nfs/dbraw/zinc/90/41/09/1093904109.db2.gz FOIXROWMMGGBSC-UHFFFAOYSA-N -1 3 325.328 2.971 20 5 EFBDHM Cc1cc(F)c(-c2nnn[n-]2)c(NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC001591978756 1093943963 /nfs/dbraw/zinc/94/39/63/1093943963.db2.gz NFNHPNIIHGCUCY-UHFFFAOYSA-N -1 3 342.334 2.877 20 5 EFBDHM Cc1cc(F)c(-c2nn[n-]n2)c(NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC001591978756 1093943971 /nfs/dbraw/zinc/94/39/71/1093943971.db2.gz NFNHPNIIHGCUCY-UHFFFAOYSA-N -1 3 342.334 2.877 20 5 EFBDHM Cc1cc(N2CC[C@H](CC(C)C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592000815 1093951635 /nfs/dbraw/zinc/95/16/35/1093951635.db2.gz ZBKNVCWHMAODAX-GFCCVEGCSA-N -1 3 330.392 2.956 20 5 EFBDHM Cc1cc(N2CC[C@H](CC(C)C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592000815 1093951639 /nfs/dbraw/zinc/95/16/39/1093951639.db2.gz ZBKNVCWHMAODAX-GFCCVEGCSA-N -1 3 330.392 2.956 20 5 EFBDHM Cc1cc(N(C)[C@@H](C)c2cccc(-c3nnn[n-]3)c2)ncc1[N+](=O)[O-] ZINC001591995925 1093951993 /nfs/dbraw/zinc/95/19/93/1093951993.db2.gz OECDCENHOCSZCC-NSHDSACASA-N -1 3 339.359 2.676 20 5 EFBDHM Cc1cc(N(C)[C@@H](C)c2cccc(-c3nn[n-]n3)c2)ncc1[N+](=O)[O-] ZINC001591995925 1093951996 /nfs/dbraw/zinc/95/19/96/1093951996.db2.gz OECDCENHOCSZCC-NSHDSACASA-N -1 3 339.359 2.676 20 5 EFBDHM Cc1cc(N2Cc3ccc(-c4nnn[n-]4)cc3C2)c(F)cc1[N+](=O)[O-] ZINC001592013426 1093952530 /nfs/dbraw/zinc/95/25/30/1093952530.db2.gz PMFCKRCBFXQXQT-UHFFFAOYSA-N -1 3 340.318 2.743 20 5 EFBDHM Cc1cc(N2Cc3ccc(-c4nn[n-]n4)cc3C2)c(F)cc1[N+](=O)[O-] ZINC001592013426 1093952533 /nfs/dbraw/zinc/95/25/33/1093952533.db2.gz PMFCKRCBFXQXQT-UHFFFAOYSA-N -1 3 340.318 2.743 20 5 EFBDHM Cc1cc(NC(=O)c2cccc(C)c2[N+](=O)[O-])cc(-c2nnn[n-]2)c1 ZINC001592030894 1093961527 /nfs/dbraw/zinc/96/15/27/1093961527.db2.gz ADKPLVXCIWJQHQ-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM Cc1cc(NC(=O)c2cccc(C)c2[N+](=O)[O-])cc(-c2nn[n-]n2)c1 ZINC001592030894 1093961534 /nfs/dbraw/zinc/96/15/34/1093961534.db2.gz ADKPLVXCIWJQHQ-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM Cc1cc(NC[C@@H]2C(C)(C)C2(F)F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592044489 1093966307 /nfs/dbraw/zinc/96/63/07/1093966307.db2.gz OGXDMICVKIJZCD-LLVKDONJSA-N -1 3 338.318 2.787 20 5 EFBDHM Cc1cc(NC[C@@H]2C(C)(C)C2(F)F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592044489 1093966312 /nfs/dbraw/zinc/96/63/12/1093966312.db2.gz OGXDMICVKIJZCD-LLVKDONJSA-N -1 3 338.318 2.787 20 5 EFBDHM Cc1cc(NCCNc2ccccc2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592050721 1093967670 /nfs/dbraw/zinc/96/76/70/1093967670.db2.gz UNCOILNOTICZSP-UHFFFAOYSA-N -1 3 339.359 2.607 20 5 EFBDHM Cc1cc(NCCNc2ccccc2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592050721 1093967673 /nfs/dbraw/zinc/96/76/73/1093967673.db2.gz UNCOILNOTICZSP-UHFFFAOYSA-N -1 3 339.359 2.607 20 5 EFBDHM Cc1cc(NCc2ccc(F)cc2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592052770 1093968938 /nfs/dbraw/zinc/96/89/38/1093968938.db2.gz YFILBSVUWKMVIB-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM Cc1cc(NCc2ccc(F)cc2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592052770 1093968942 /nfs/dbraw/zinc/96/89/42/1093968942.db2.gz YFILBSVUWKMVIB-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM Cc1cc(Sc2ccccc2O)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592068246 1093973620 /nfs/dbraw/zinc/97/36/20/1093973620.db2.gz YQTSMVMNUFVNNS-UHFFFAOYSA-N -1 3 329.341 2.940 20 5 EFBDHM Cc1cc(Sc2ccccc2O)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592068246 1093973623 /nfs/dbraw/zinc/97/36/23/1093973623.db2.gz YQTSMVMNUFVNNS-UHFFFAOYSA-N -1 3 329.341 2.940 20 5 EFBDHM Cc1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1-c1nnn[n-]1 ZINC001592073522 1093974951 /nfs/dbraw/zinc/97/49/51/1093974951.db2.gz DCNLAPAGVWIQDD-UHFFFAOYSA-N -1 3 349.310 2.800 20 5 EFBDHM Cc1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1-c1nn[n-]n1 ZINC001592073522 1093974955 /nfs/dbraw/zinc/97/49/55/1093974955.db2.gz DCNLAPAGVWIQDD-UHFFFAOYSA-N -1 3 349.310 2.800 20 5 EFBDHM Cc1ccc(-c2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1[N+](=O)[O-] ZINC001592076005 1093975955 /nfs/dbraw/zinc/97/59/55/1093975955.db2.gz VVTFYHWOROIXAV-UHFFFAOYSA-N -1 3 349.310 2.800 20 5 EFBDHM Cc1ccc(-c2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1[N+](=O)[O-] ZINC001592076005 1093975958 /nfs/dbraw/zinc/97/59/58/1093975958.db2.gz VVTFYHWOROIXAV-UHFFFAOYSA-N -1 3 349.310 2.800 20 5 EFBDHM Cc1ccc(CNc2ncc([N+](=O)[O-])cc2Cl)cc1-c1nnn[n-]1 ZINC001592167420 1094010690 /nfs/dbraw/zinc/01/06/90/1094010690.db2.gz JJSQZKWJNSRKMZ-UHFFFAOYSA-N -1 3 345.750 2.744 20 5 EFBDHM Cc1ccc(CNc2ncc([N+](=O)[O-])cc2Cl)cc1-c1nn[n-]n1 ZINC001592167420 1094010696 /nfs/dbraw/zinc/01/06/96/1094010696.db2.gz JJSQZKWJNSRKMZ-UHFFFAOYSA-N -1 3 345.750 2.744 20 5 EFBDHM Cc1ccc(N(C)CCc2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC001592176169 1094017931 /nfs/dbraw/zinc/01/79/31/1094017931.db2.gz XEBIBSSKUATTDD-UHFFFAOYSA-N -1 3 338.371 2.762 20 5 EFBDHM Cc1ccc(N(C)CCc2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC001592176169 1094017934 /nfs/dbraw/zinc/01/79/34/1094017934.db2.gz XEBIBSSKUATTDD-UHFFFAOYSA-N -1 3 338.371 2.762 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1NCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001592198002 1094025506 /nfs/dbraw/zinc/02/55/06/1094025506.db2.gz SCKKRKQVPUBFMG-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1NCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001592198002 1094025511 /nfs/dbraw/zinc/02/55/11/1094025511.db2.gz SCKKRKQVPUBFMG-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM Cc1ccnc(SCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c1 ZINC001592276320 1094063360 /nfs/dbraw/zinc/06/33/60/1094063360.db2.gz MEVIJYXKTHGXKZ-UHFFFAOYSA-N -1 3 328.357 2.771 20 5 EFBDHM Cc1ccnc(SCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c1 ZINC001592276320 1094063367 /nfs/dbraw/zinc/06/33/67/1094063367.db2.gz MEVIJYXKTHGXKZ-UHFFFAOYSA-N -1 3 328.357 2.771 20 5 EFBDHM Cc1cnc([C@@H](C)Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)s1 ZINC001592293018 1094068220 /nfs/dbraw/zinc/06/82/20/1094068220.db2.gz URPXHHQLNJVJSL-MRVPVSSYSA-N -1 3 331.361 2.713 20 5 EFBDHM O=C(C[C@@H]1CC=CCC1)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001592814953 1094193021 /nfs/dbraw/zinc/19/30/21/1094193021.db2.gz HWMYDRGXLAXLSX-LLVKDONJSA-N -1 3 343.343 2.565 20 5 EFBDHM O=C(C[C@@H]1CC=CCC1)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001592814953 1094193029 /nfs/dbraw/zinc/19/30/29/1094193029.db2.gz HWMYDRGXLAXLSX-LLVKDONJSA-N -1 3 343.343 2.565 20 5 EFBDHM O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001593228647 1094246214 /nfs/dbraw/zinc/24/62/14/1094246214.db2.gz YXAZQYSWXVXIRB-UHFFFAOYSA-N -1 3 344.718 2.681 20 5 EFBDHM O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001593228647 1094246217 /nfs/dbraw/zinc/24/62/17/1094246217.db2.gz YXAZQYSWXVXIRB-UHFFFAOYSA-N -1 3 344.718 2.681 20 5 EFBDHM O=[N+]([O-])c1c(Sc2ccc(-c3nnn[n-]3)cc2)nc2ccccn21 ZINC001593468647 1094310643 /nfs/dbraw/zinc/31/06/43/1094310643.db2.gz HNIVLZCXIGHJKR-UHFFFAOYSA-N -1 3 339.340 2.574 20 5 EFBDHM O=[N+]([O-])c1c(Sc2ccc(-c3nn[n-]n3)cc2)nc2ccccn21 ZINC001593468647 1094310656 /nfs/dbraw/zinc/31/06/56/1094310656.db2.gz HNIVLZCXIGHJKR-UHFFFAOYSA-N -1 3 339.340 2.574 20 5 EFBDHM O=[N+]([O-])c1c(NCc2cccc(-c3nnn[n-]3)c2)ccc2cnccc21 ZINC001593468265 1094311001 /nfs/dbraw/zinc/31/10/01/1094311001.db2.gz BRXHMDPNVFUDTP-UHFFFAOYSA-N -1 3 347.338 2.935 20 5 EFBDHM O=[N+]([O-])c1c(NCc2cccc(-c3nn[n-]n3)c2)ccc2cnccc21 ZINC001593468265 1094311012 /nfs/dbraw/zinc/31/10/12/1094311012.db2.gz BRXHMDPNVFUDTP-UHFFFAOYSA-N -1 3 347.338 2.935 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NCc1cccc(F)c1 ZINC001593468009 1094311393 /nfs/dbraw/zinc/31/13/93/1094311393.db2.gz GYMMNQLYYSAMRP-UHFFFAOYSA-N -1 3 332.270 2.665 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NCc1cccc(F)c1 ZINC001593468009 1094311404 /nfs/dbraw/zinc/31/14/04/1094311404.db2.gz GYMMNQLYYSAMRP-UHFFFAOYSA-N -1 3 332.270 2.665 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1Oc1ccc(F)c(F)c1 ZINC001593467752 1094311740 /nfs/dbraw/zinc/31/17/40/1094311740.db2.gz UKXXRDCBQVRVNH-UHFFFAOYSA-N -1 3 337.217 2.985 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCCc1ccsc1 ZINC001593470815 1094313622 /nfs/dbraw/zinc/31/36/22/1094313622.db2.gz MJCCWYVCRZLVJX-UHFFFAOYSA-N -1 3 330.373 2.881 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCCc1ccsc1 ZINC001593470815 1094313629 /nfs/dbraw/zinc/31/36/29/1094313629.db2.gz MJCCWYVCRZLVJX-UHFFFAOYSA-N -1 3 330.373 2.881 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NCc1cccc2ccccc21 ZINC001593470618 1094313706 /nfs/dbraw/zinc/31/37/06/1094313706.db2.gz JEYXTUMIJLTLAX-UHFFFAOYSA-N -1 3 347.338 2.935 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NCc1cccc2ccccc21 ZINC001593470618 1094313714 /nfs/dbraw/zinc/31/37/14/1094313714.db2.gz JEYXTUMIJLTLAX-UHFFFAOYSA-N -1 3 347.338 2.935 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCc1cccc2[nH]ccc21 ZINC001593471938 1094314529 /nfs/dbraw/zinc/31/45/29/1094314529.db2.gz WEWZNURMVKWZNW-UHFFFAOYSA-N -1 3 349.354 2.911 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCc1cccc2[nH]ccc21 ZINC001593471938 1094314542 /nfs/dbraw/zinc/31/45/42/1094314542.db2.gz WEWZNURMVKWZNW-UHFFFAOYSA-N -1 3 349.354 2.911 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCC1(C(F)(F)F)CC1 ZINC001593471314 1094315048 /nfs/dbraw/zinc/31/50/48/1094315048.db2.gz RLFFRHMWBMRYKL-UHFFFAOYSA-N -1 3 328.254 2.529 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCC1(C(F)(F)F)CC1 ZINC001593471314 1094315061 /nfs/dbraw/zinc/31/50/61/1094315061.db2.gz RLFFRHMWBMRYKL-UHFFFAOYSA-N -1 3 328.254 2.529 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CCC[C@H](C2CCCC2)C1 ZINC001593471718 1094316212 /nfs/dbraw/zinc/31/62/12/1094316212.db2.gz WKNWMHWSNQILSW-LBPRGKRZSA-N -1 3 343.391 2.577 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CCC[C@H](C2CCCC2)C1 ZINC001593471718 1094316220 /nfs/dbraw/zinc/31/62/20/1094316220.db2.gz WKNWMHWSNQILSW-LBPRGKRZSA-N -1 3 343.391 2.577 20 5 EFBDHM O=[N+]([O-])c1cc(NCCc2ccc(F)cc2F)ccc1-c1nnn[n-]1 ZINC001593474109 1094316780 /nfs/dbraw/zinc/31/67/80/1094316780.db2.gz PIUYECCGYLAPAG-UHFFFAOYSA-N -1 3 346.297 2.708 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCCSc1ccccc1 ZINC001593474771 1094316800 /nfs/dbraw/zinc/31/68/00/1094316800.db2.gz KJKMUXVHWFBPNK-UHFFFAOYSA-N -1 3 342.384 2.979 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCCSc1ccccc1 ZINC001593474771 1094316808 /nfs/dbraw/zinc/31/68/08/1094316808.db2.gz KJKMUXVHWFBPNK-UHFFFAOYSA-N -1 3 342.384 2.979 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1Sc1ncc2ccccn21 ZINC001593474343 1094316993 /nfs/dbraw/zinc/31/69/93/1094316993.db2.gz CZIJSMYBQUMCHB-UHFFFAOYSA-N -1 3 339.340 2.574 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1Sc1ncc2ccccn21 ZINC001593474343 1094317000 /nfs/dbraw/zinc/31/70/00/1094317000.db2.gz CZIJSMYBQUMCHB-UHFFFAOYSA-N -1 3 339.340 2.574 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2noc(-c3cccc(-c4nnn[n-]4)c3)n2)s1 ZINC001593474325 1094317514 /nfs/dbraw/zinc/31/75/14/1094317514.db2.gz CLBZLWWZNHBKHJ-UHFFFAOYSA-N -1 3 341.312 2.553 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2noc(-c3cccc(-c4nn[n-]n4)c3)n2)s1 ZINC001593474325 1094317524 /nfs/dbraw/zinc/31/75/24/1094317524.db2.gz CLBZLWWZNHBKHJ-UHFFFAOYSA-N -1 3 341.312 2.553 20 5 EFBDHM O=[N+]([O-])c1cc(N[C@@H]2CCOC3(CCCC3)C2)ccc1-c1nnn[n-]1 ZINC001593474521 1094317884 /nfs/dbraw/zinc/31/78/84/1094317884.db2.gz RLLVXLGTRFRGIB-GFCCVEGCSA-N -1 3 344.375 2.679 20 5 EFBDHM O=[N+]([O-])c1cc(NCc2cc(-c3nnn[n-]3)ccc2F)ccc1F ZINC001593474000 1094318256 /nfs/dbraw/zinc/31/82/56/1094318256.db2.gz NDGUHIJCSDODAJ-UHFFFAOYSA-N -1 3 332.270 2.665 20 5 EFBDHM O=[N+]([O-])c1cc(NCc2cc(-c3nn[n-]n3)ccc2F)ccc1F ZINC001593474000 1094318257 /nfs/dbraw/zinc/31/82/57/1094318257.db2.gz NDGUHIJCSDODAJ-UHFFFAOYSA-N -1 3 332.270 2.665 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CC=C(c2ccccc2)C1 ZINC001593475035 1094319694 /nfs/dbraw/zinc/31/96/94/1094319694.db2.gz NZYUBQIIJRHDBY-UHFFFAOYSA-N -1 3 334.339 2.679 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CC=C(c2ccccc2)C1 ZINC001593475035 1094319698 /nfs/dbraw/zinc/31/96/98/1094319698.db2.gz NZYUBQIIJRHDBY-UHFFFAOYSA-N -1 3 334.339 2.679 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CC[C@@H](CC(F)(F)F)C2)c(-c2nnn[n-]2)c1 ZINC001593475572 1094320099 /nfs/dbraw/zinc/32/00/99/1094320099.db2.gz BJRFQAUDTQYUTF-QMMMGPOBSA-N -1 3 342.281 2.554 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CC[C@@H](CC(F)(F)F)C2)c(-c2nn[n-]n2)c1 ZINC001593475572 1094320108 /nfs/dbraw/zinc/32/01/08/1094320108.db2.gz BJRFQAUDTQYUTF-QMMMGPOBSA-N -1 3 342.281 2.554 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1Nc1cnn(-c2ccccc2)c1 ZINC001593476178 1094320495 /nfs/dbraw/zinc/32/04/95/1094320495.db2.gz YIZQOXGPOLENEO-UHFFFAOYSA-N -1 3 348.326 2.704 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1Nc1cnn(-c2ccccc2)c1 ZINC001593476178 1094320502 /nfs/dbraw/zinc/32/05/02/1094320502.db2.gz YIZQOXGPOLENEO-UHFFFAOYSA-N -1 3 348.326 2.704 20 5 EFBDHM O=[N+]([O-])c1ccc(F)c(NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC001593476534 1094320720 /nfs/dbraw/zinc/32/07/20/1094320720.db2.gz QHKXXESTDWYJOK-UHFFFAOYSA-N -1 3 332.270 2.665 20 5 EFBDHM O=[N+]([O-])c1ccc(F)c(NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC001593476534 1094320734 /nfs/dbraw/zinc/32/07/34/1094320734.db2.gz QHKXXESTDWYJOK-UHFFFAOYSA-N -1 3 332.270 2.665 20 5 EFBDHM O=[N+]([O-])c1cc(NCc2cc(F)ccc2F)ccc1-c1nnn[n-]1 ZINC001593474922 1094321221 /nfs/dbraw/zinc/32/12/21/1094321221.db2.gz VYCVMVPXSJZCHP-UHFFFAOYSA-N -1 3 332.270 2.665 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CCC[C@H](C2CCC2)C1 ZINC001593476480 1094321346 /nfs/dbraw/zinc/32/13/46/1094321346.db2.gz WYRAOZGFVWBAOA-ZDUSSCGKSA-N -1 3 328.376 2.791 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CCC[C@H](C2CCC2)C1 ZINC001593476480 1094321350 /nfs/dbraw/zinc/32/13/50/1094321350.db2.gz WYRAOZGFVWBAOA-ZDUSSCGKSA-N -1 3 328.376 2.791 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CC[C@@H](c2ccccc2)C1 ZINC001593476620 1094321435 /nfs/dbraw/zinc/32/14/35/1094321435.db2.gz ZHZKWPAXPMGLJM-CQSZACIVSA-N -1 3 336.355 2.769 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CC[C@@H](c2ccccc2)C1 ZINC001593476620 1094321441 /nfs/dbraw/zinc/32/14/41/1094321441.db2.gz ZHZKWPAXPMGLJM-CQSZACIVSA-N -1 3 336.355 2.769 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CC[C@H](CC(F)(F)F)C2)c(-c2nnn[n-]2)c1 ZINC001593475566 1094321528 /nfs/dbraw/zinc/32/15/28/1094321528.db2.gz BJRFQAUDTQYUTF-MRVPVSSYSA-N -1 3 342.281 2.554 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CC[C@H](CC(F)(F)F)C2)c(-c2nn[n-]n2)c1 ZINC001593475566 1094321534 /nfs/dbraw/zinc/32/15/34/1094321534.db2.gz BJRFQAUDTQYUTF-MRVPVSSYSA-N -1 3 342.281 2.554 20 5 EFBDHM O=[N+]([O-])c1ccc(NC[C@@H]2CCOC3(CCC3)C2)c(-c2nnn[n-]2)c1 ZINC001593478054 1094322653 /nfs/dbraw/zinc/32/26/53/1094322653.db2.gz QAOGUSGSXWYBME-LLVKDONJSA-N -1 3 344.375 2.536 20 5 EFBDHM O=[N+]([O-])c1ccc(NC[C@@H]2CCOC3(CCC3)C2)c(-c2nn[n-]n2)c1 ZINC001593478054 1094322663 /nfs/dbraw/zinc/32/26/63/1094322663.db2.gz QAOGUSGSXWYBME-LLVKDONJSA-N -1 3 344.375 2.536 20 5 EFBDHM O=[N+]([O-])c1ccc2c(c1)CN(c1c(Cl)cccc1-c1nnn[n-]1)C2 ZINC001593479810 1094323919 /nfs/dbraw/zinc/32/39/19/1094323919.db2.gz YMYMKYMAJJDJEF-UHFFFAOYSA-N -1 3 342.746 2.949 20 5 EFBDHM O=[N+]([O-])c1ccc2c(c1)CN(c1c(Cl)cccc1-c1nn[n-]n1)C2 ZINC001593479810 1094323927 /nfs/dbraw/zinc/32/39/27/1094323927.db2.gz YMYMKYMAJJDJEF-UHFFFAOYSA-N -1 3 342.746 2.949 20 5 EFBDHM O=[N+]([O-])c1ccc(NCCc2ccccc2F)c(-c2nnn[n-]2)c1 ZINC001593479290 1094324637 /nfs/dbraw/zinc/32/46/37/1094324637.db2.gz ZYKHTSSVQXEXRV-UHFFFAOYSA-N -1 3 328.307 2.569 20 5 EFBDHM O=[N+]([O-])c1ccc(NCCc2ccccc2F)c(-c2nn[n-]n2)c1 ZINC001593479290 1094324640 /nfs/dbraw/zinc/32/46/40/1094324640.db2.gz ZYKHTSSVQXEXRV-UHFFFAOYSA-N -1 3 328.307 2.569 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC[C@@H]1CC12CCSCC2 ZINC001593480103 1094324686 /nfs/dbraw/zinc/32/46/86/1094324686.db2.gz FOMWSXNGJQGIAJ-JTQLQIEISA-N -1 3 346.416 2.720 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NC[C@@H]1CC12CCSCC2 ZINC001593480103 1094324694 /nfs/dbraw/zinc/32/46/94/1094324694.db2.gz FOMWSXNGJQGIAJ-JTQLQIEISA-N -1 3 346.416 2.720 20 5 EFBDHM O=[N+]([O-])c1ccc(Oc2cccc3c2OCC3)c(-c2nnn[n-]2)c1 ZINC001593481840 1094325882 /nfs/dbraw/zinc/32/58/82/1094325882.db2.gz LYCHTAWDPPLNCS-UHFFFAOYSA-N -1 3 325.284 2.502 20 5 EFBDHM O=[N+]([O-])c1ccc(Oc2cccc3c2OCC3)c(-c2nn[n-]n2)c1 ZINC001593481840 1094325892 /nfs/dbraw/zinc/32/58/92/1094325892.db2.gz LYCHTAWDPPLNCS-UHFFFAOYSA-N -1 3 325.284 2.502 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCc1cccc2cc[nH]c21 ZINC001593483596 1094326526 /nfs/dbraw/zinc/32/65/26/1094326526.db2.gz XCGLKBXNXOWXCG-UHFFFAOYSA-N -1 3 335.327 2.868 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCc1cccc2cc[nH]c21 ZINC001593483596 1094326529 /nfs/dbraw/zinc/32/65/29/1094326529.db2.gz XCGLKBXNXOWXCG-UHFFFAOYSA-N -1 3 335.327 2.868 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCC[C@H]1CC1(Cl)Cl ZINC001593480972 1094327238 /nfs/dbraw/zinc/32/72/38/1094327238.db2.gz NXUOIFNZBSCAJT-ZETCQYMHSA-N -1 3 343.174 2.771 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCC[C@H]1CC1(Cl)Cl ZINC001593480972 1094327247 /nfs/dbraw/zinc/32/72/47/1094327247.db2.gz NXUOIFNZBSCAJT-ZETCQYMHSA-N -1 3 343.174 2.771 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1Oc1cnc(Cl)c(F)c1 ZINC001593482466 1094327497 /nfs/dbraw/zinc/32/74/97/1094327497.db2.gz AWSQWUXPVMQLRG-UHFFFAOYSA-N -1 3 336.670 2.755 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1Oc1cnc(Cl)c(F)c1 ZINC001593482466 1094327503 /nfs/dbraw/zinc/32/75/03/1094327503.db2.gz AWSQWUXPVMQLRG-UHFFFAOYSA-N -1 3 336.670 2.755 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CSc1ccc(O)cc1 ZINC001593483063 1094327764 /nfs/dbraw/zinc/32/77/64/1094327764.db2.gz SSGPKUSYERBSNU-UHFFFAOYSA-N -1 3 329.341 2.773 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1CSc1ccc(O)cc1 ZINC001593483063 1094327773 /nfs/dbraw/zinc/32/77/73/1094327773.db2.gz SSGPKUSYERBSNU-UHFFFAOYSA-N -1 3 329.341 2.773 20 5 EFBDHM O=[N+]([O-])c1cnc(NCCCCc2ccccc2)c(-c2nnn[n-]2)c1 ZINC001593485976 1094330361 /nfs/dbraw/zinc/33/03/61/1094330361.db2.gz ZYYQMAXFAOFYAT-UHFFFAOYSA-N -1 3 339.359 2.605 20 5 EFBDHM O=[N+]([O-])c1cnc(NCCCCc2ccccc2)c(-c2nn[n-]n2)c1 ZINC001593485976 1094330373 /nfs/dbraw/zinc/33/03/73/1094330373.db2.gz ZYYQMAXFAOFYAT-UHFFFAOYSA-N -1 3 339.359 2.605 20 5 EFBDHM O=[N+]([O-])c1ccccc1OCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC001593486723 1094330791 /nfs/dbraw/zinc/33/07/91/1094330791.db2.gz JBXJHXZCOPCEDC-UHFFFAOYSA-N -1 3 341.327 2.623 20 5 EFBDHM O=C([O-])[C@H]1CCC[C@H]1NCc1ccc([N+](=O)[O-])cc1Br ZINC001601810862 1095914639 /nfs/dbraw/zinc/91/46/39/1095914639.db2.gz WWDDCEMEZMEHKR-CMPLNLGQSA-N -1 3 343.177 2.700 20 5 EFBDHM O=C([O-])COc1ccc(CN2CCC[C@@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC001602082380 1096050592 /nfs/dbraw/zinc/05/05/92/1096050592.db2.gz QZAXABXAMGWDRD-UONOGXRCSA-N -1 3 334.372 2.823 20 5 EFBDHM O=C([O-])c1cc(-c2cccc([C@@H]3CNCCO3)c2)cc([N+](=O)[O-])c1 ZINC001602237893 1096132923 /nfs/dbraw/zinc/13/29/23/1096132923.db2.gz WUGBFYCUGMIAGA-INIZCTEOSA-N -1 3 328.324 2.621 20 5 EFBDHM CC(=O)c1cccc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC001602979118 1096415066 /nfs/dbraw/zinc/41/50/66/1096415066.db2.gz MOIBBOAGGVNCND-UHFFFAOYSA-N -1 3 338.327 2.590 20 5 EFBDHM CC(=O)c1cccc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC001602979118 1096415074 /nfs/dbraw/zinc/41/50/74/1096415074.db2.gz MOIBBOAGGVNCND-UHFFFAOYSA-N -1 3 338.327 2.590 20 5 EFBDHM CC(C)(CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])c1ccccn1 ZINC001603150514 1096459870 /nfs/dbraw/zinc/45/98/70/1096459870.db2.gz BERFDFXEHALJOL-UHFFFAOYSA-N -1 3 339.359 2.560 20 5 EFBDHM CC(C)(CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])c1ccccn1 ZINC001603150514 1096459873 /nfs/dbraw/zinc/45/98/73/1096459873.db2.gz BERFDFXEHALJOL-UHFFFAOYSA-N -1 3 339.359 2.560 20 5 EFBDHM CC(C)[C@H]1N(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC12CC=CC2 ZINC001603254332 1096487241 /nfs/dbraw/zinc/48/72/41/1096487241.db2.gz XLDYYOPNFDEULX-OAHLLOKOSA-N -1 3 340.387 2.956 20 5 EFBDHM CC(C)[C@H]1N(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC12CC=CC2 ZINC001603254332 1096487246 /nfs/dbraw/zinc/48/72/46/1096487246.db2.gz XLDYYOPNFDEULX-OAHLLOKOSA-N -1 3 340.387 2.956 20 5 EFBDHM CC(C)C[C@H](C)CC(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603259583 1096488481 /nfs/dbraw/zinc/48/84/81/1096488481.db2.gz MSYBZCFWZHUNHU-NSHDSACASA-N -1 3 347.375 2.890 20 5 EFBDHM CC(C)C[C@H](C)CC(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603259583 1096488484 /nfs/dbraw/zinc/48/84/84/1096488484.db2.gz MSYBZCFWZHUNHU-NSHDSACASA-N -1 3 347.375 2.890 20 5 EFBDHM CC(C)c1c[nH]c(Sc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])n1 ZINC001603391811 1096518537 /nfs/dbraw/zinc/51/85/37/1096518537.db2.gz UZESPPYXFCFQEL-UHFFFAOYSA-N -1 3 331.361 2.773 20 5 EFBDHM CC(C)c1c[nH]c(Sc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])n1 ZINC001603391811 1096518543 /nfs/dbraw/zinc/51/85/43/1096518543.db2.gz UZESPPYXFCFQEL-UHFFFAOYSA-N -1 3 331.361 2.773 20 5 EFBDHM C[C@H](CNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1)c1ccccc1 ZINC001603554141 1096551661 /nfs/dbraw/zinc/55/16/61/1096551661.db2.gz FUSMYRBJIKSJKA-SNVBAGLBSA-N -1 3 339.359 2.573 20 5 EFBDHM C[C@H](CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1)c1ccccc1 ZINC001603554141 1096551663 /nfs/dbraw/zinc/55/16/63/1096551663.db2.gz FUSMYRBJIKSJKA-SNVBAGLBSA-N -1 3 339.359 2.573 20 5 EFBDHM C[C@@H](COc1ccccc1)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001603572240 1096556224 /nfs/dbraw/zinc/55/62/24/1096556224.db2.gz XGWIVEUKWGGHES-NSHDSACASA-N -1 3 340.343 2.654 20 5 EFBDHM C[C@@H](Nc1cc(N)ccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC001603678200 1096587643 /nfs/dbraw/zinc/58/76/43/1096587643.db2.gz HCBSIDXTJPWEFE-SECBINFHSA-N -1 3 325.332 2.530 20 5 EFBDHM C[C@@H](Nc1cc(N)ccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC001603678200 1096587650 /nfs/dbraw/zinc/58/76/50/1096587650.db2.gz HCBSIDXTJPWEFE-SECBINFHSA-N -1 3 325.332 2.530 20 5 EFBDHM CC1(C)C[C@]1(C)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001603765101 1096618673 /nfs/dbraw/zinc/61/86/73/1096618673.db2.gz MUQKLEDYFRXTIF-INIZCTEOSA-N -1 3 339.359 2.924 20 5 EFBDHM CC1(C)C[C@]1(C)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001603765101 1096618675 /nfs/dbraw/zinc/61/86/75/1096618675.db2.gz MUQKLEDYFRXTIF-INIZCTEOSA-N -1 3 339.359 2.924 20 5 EFBDHM C[C@@]1(CCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@@]1(F)Cl ZINC001603799881 1096632090 /nfs/dbraw/zinc/63/20/90/1096632090.db2.gz DPTLWKRDWRCWGX-OLZOCXBDSA-N -1 3 340.746 2.892 20 5 EFBDHM C[C@@]1(CCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@@]1(F)Cl ZINC001603799881 1096632092 /nfs/dbraw/zinc/63/20/92/1096632092.db2.gz DPTLWKRDWRCWGX-OLZOCXBDSA-N -1 3 340.746 2.892 20 5 EFBDHM C[C@]1(c2ccccc2)C[C@H]1Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001603819521 1096635580 /nfs/dbraw/zinc/63/55/80/1096635580.db2.gz PAOKXERXNJHMKQ-NVXWUHKLSA-N -1 3 336.355 2.917 20 5 EFBDHM C[C@]1(c2ccccc2)C[C@H]1Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001603819521 1096635582 /nfs/dbraw/zinc/63/55/82/1096635582.db2.gz PAOKXERXNJHMKQ-NVXWUHKLSA-N -1 3 336.355 2.917 20 5 EFBDHM C[C@@H]1CC/C(=C/C(=O)OCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001603874519 1096652369 /nfs/dbraw/zinc/65/23/69/1096652369.db2.gz XPCFOPLOODVGHN-UBYNWHESSA-N -1 3 343.343 2.565 20 5 EFBDHM C[C@@H]1CC/C(=C/C(=O)OCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001603874519 1096652372 /nfs/dbraw/zinc/65/23/72/1096652372.db2.gz XPCFOPLOODVGHN-UBYNWHESSA-N -1 3 343.343 2.565 20 5 EFBDHM C[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C[C@H]1C ZINC001603882234 1096656309 /nfs/dbraw/zinc/65/63/09/1096656309.db2.gz QRJMBZLZBSSBKV-BBBLOLIVSA-N -1 3 331.380 2.594 20 5 EFBDHM C[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C[C@H]1C ZINC001603882234 1096656312 /nfs/dbraw/zinc/65/63/12/1096656312.db2.gz QRJMBZLZBSSBKV-BBBLOLIVSA-N -1 3 331.380 2.594 20 5 EFBDHM C[C@H]1CCC[C@H](C(=O)OCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001603884141 1096656685 /nfs/dbraw/zinc/65/66/85/1096656685.db2.gz ICRKQZUNQLDEFW-QWRGUYRKSA-N -1 3 345.359 2.644 20 5 EFBDHM C[C@H]1CCC[C@H](C(=O)OCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001603884141 1096656690 /nfs/dbraw/zinc/65/66/90/1096656690.db2.gz ICRKQZUNQLDEFW-QWRGUYRKSA-N -1 3 345.359 2.644 20 5 EFBDHM C[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)[C@@H]1C ZINC001603885981 1096657793 /nfs/dbraw/zinc/65/77/93/1096657793.db2.gz GPZSGOKWIYYLKN-OPRDCNLKSA-N -1 3 331.380 2.594 20 5 EFBDHM C[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)[C@@H]1C ZINC001603885981 1096657795 /nfs/dbraw/zinc/65/77/95/1096657795.db2.gz GPZSGOKWIYYLKN-OPRDCNLKSA-N -1 3 331.380 2.594 20 5 EFBDHM C[C@H]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001603888611 1096659171 /nfs/dbraw/zinc/65/91/71/1096659171.db2.gz XRRYVIHZVCEUOX-VHSXEESVSA-N -1 3 331.380 2.595 20 5 EFBDHM C[C@H]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001603888611 1096659176 /nfs/dbraw/zinc/65/91/76/1096659176.db2.gz XRRYVIHZVCEUOX-VHSXEESVSA-N -1 3 331.380 2.595 20 5 EFBDHM C[C@@H]1CCC[C@H](CNc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)[C@@H]1C ZINC001603888725 1096659994 /nfs/dbraw/zinc/65/99/94/1096659994.db2.gz ZVNVLBPLXCQXKY-GMTAPVOTSA-N -1 3 345.407 2.841 20 5 EFBDHM C[C@@H]1CCC[C@H](CNc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)[C@@H]1C ZINC001603888725 1096659998 /nfs/dbraw/zinc/65/99/98/1096659998.db2.gz ZVNVLBPLXCQXKY-GMTAPVOTSA-N -1 3 345.407 2.841 20 5 EFBDHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@@H](C)C1(F)F ZINC001603940075 1096675589 /nfs/dbraw/zinc/67/55/89/1096675589.db2.gz QNQZJMXXPHSIQL-RKDXNWHRSA-N -1 3 338.318 2.502 20 5 EFBDHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@@H](C)C1(F)F ZINC001603940075 1096675591 /nfs/dbraw/zinc/67/55/91/1096675591.db2.gz QNQZJMXXPHSIQL-RKDXNWHRSA-N -1 3 338.318 2.502 20 5 EFBDHM C[C@@H]1Cc2ccccc2CN1c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001603952883 1096680966 /nfs/dbraw/zinc/68/09/66/1096680966.db2.gz OKSFFDKSDIQVBN-LLVKDONJSA-N -1 3 336.355 2.726 20 5 EFBDHM CCC1(CC)[C@H](OC)C[C@@H]1Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001604085135 1096725309 /nfs/dbraw/zinc/72/53/09/1096725309.db2.gz FWBDESSPOVOMSV-UONOGXRCSA-N -1 3 346.391 2.781 20 5 EFBDHM CCC1(CC)[C@H](OC)C[C@@H]1Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001604085135 1096725312 /nfs/dbraw/zinc/72/53/12/1096725312.db2.gz FWBDESSPOVOMSV-UONOGXRCSA-N -1 3 346.391 2.781 20 5 EFBDHM CCC1(CC)[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H]1OC ZINC001604086136 1096727344 /nfs/dbraw/zinc/72/73/44/1096727344.db2.gz PATTVQRWISRHPQ-ZIAGYGMSSA-N -1 3 346.391 2.781 20 5 EFBDHM CCC1(CC)[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H]1OC ZINC001604086136 1096727351 /nfs/dbraw/zinc/72/73/51/1096727351.db2.gz PATTVQRWISRHPQ-ZIAGYGMSSA-N -1 3 346.391 2.781 20 5 EFBDHM CCC/C(C)=C\C(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604134535 1096746889 /nfs/dbraw/zinc/74/68/89/1096746889.db2.gz ALBFLGYJKZJTKF-YFHOEESVSA-N -1 3 331.332 2.565 20 5 EFBDHM CCC/C(C)=C\C(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604134535 1096746894 /nfs/dbraw/zinc/74/68/94/1096746894.db2.gz ALBFLGYJKZJTKF-YFHOEESVSA-N -1 3 331.332 2.565 20 5 EFBDHM CCC/C(C)=C/C(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604134534 1096747698 /nfs/dbraw/zinc/74/76/98/1096747698.db2.gz ALBFLGYJKZJTKF-JXMROGBWSA-N -1 3 331.332 2.565 20 5 EFBDHM CCC/C(C)=C/C(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604134534 1096747703 /nfs/dbraw/zinc/74/77/03/1096747703.db2.gz ALBFLGYJKZJTKF-JXMROGBWSA-N -1 3 331.332 2.565 20 5 EFBDHM CCN(Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])c1cccc(O)c1 ZINC001604320715 1096807663 /nfs/dbraw/zinc/80/76/63/1096807663.db2.gz ZADMDIXITXUYIX-UHFFFAOYSA-N -1 3 340.343 2.507 20 5 EFBDHM CCN(Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])c1cccc(O)c1 ZINC001604320715 1096807669 /nfs/dbraw/zinc/80/76/69/1096807669.db2.gz ZADMDIXITXUYIX-UHFFFAOYSA-N -1 3 340.343 2.507 20 5 EFBDHM C[C@H](N[C@@H]1CCC[C@H]1C(=O)[O-])c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001604331254 1096815558 /nfs/dbraw/zinc/81/55/58/1096815558.db2.gz WFOCDYUBQTZSPM-ZWKOPEQDSA-N -1 3 346.343 2.549 20 5 EFBDHM C[C@H]1C[C@@H](Nc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CN1C1CC1 ZINC001604677421 1096929657 /nfs/dbraw/zinc/92/96/57/1096929657.db2.gz ROXDQICIXAUIHR-DTWKUNHWSA-N -1 3 339.779 2.984 20 5 EFBDHM CN(CCc1ccccc1F)c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001604792016 1096954908 /nfs/dbraw/zinc/95/49/08/1096954908.db2.gz RAJHQZYDCVZGGB-UHFFFAOYSA-N -1 3 342.334 2.593 20 5 EFBDHM CN(CCc1ccccc1F)c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001604792016 1096954910 /nfs/dbraw/zinc/95/49/10/1096954910.db2.gz RAJHQZYDCVZGGB-UHFFFAOYSA-N -1 3 342.334 2.593 20 5 EFBDHM CN1CCc2ccc(Nc3c(-c4nnn[n-]4)cccc3[N+](=O)[O-])cc21 ZINC001604871328 1096973611 /nfs/dbraw/zinc/97/36/11/1096973611.db2.gz ROUCUNQDRRJAKG-UHFFFAOYSA-N -1 3 337.343 2.511 20 5 EFBDHM CN1CCc2ccc(Nc3c(-c4nn[n-]n4)cccc3[N+](=O)[O-])cc21 ZINC001604871328 1096973616 /nfs/dbraw/zinc/97/36/16/1096973616.db2.gz ROUCUNQDRRJAKG-UHFFFAOYSA-N -1 3 337.343 2.511 20 5 EFBDHM CO[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CCCCC1 ZINC001605010341 1096998883 /nfs/dbraw/zinc/99/88/83/1096998883.db2.gz ZWPWQLHLSLFUHJ-OAHLLOKOSA-N -1 3 346.391 2.782 20 5 EFBDHM CO[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CCCCC1 ZINC001605010341 1096998887 /nfs/dbraw/zinc/99/88/87/1096998887.db2.gz ZWPWQLHLSLFUHJ-OAHLLOKOSA-N -1 3 346.391 2.782 20 5 EFBDHM CCC1(CC)[C@@H](NCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@H]1OC ZINC001605136993 1097032579 /nfs/dbraw/zinc/03/25/79/1097032579.db2.gz HLICQKTWLZRKDI-GJZGRUSLSA-N -1 3 336.388 2.976 20 5 EFBDHM COc1ccc([N+](=O)[O-])cc1COc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001605307463 1097090201 /nfs/dbraw/zinc/09/02/01/1097090201.db2.gz ANOTYWCVUCMCSP-UHFFFAOYSA-N -1 3 341.327 2.671 20 5 EFBDHM CS[C@H]1CCC[C@@H](Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001605370016 1097107094 /nfs/dbraw/zinc/10/70/94/1097107094.db2.gz CTSNREVCKRLAKS-ZJUUUORDSA-N -1 3 334.405 2.861 20 5 EFBDHM CS[C@H]1CCC[C@@H](Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001605370016 1097107098 /nfs/dbraw/zinc/10/70/98/1097107098.db2.gz CTSNREVCKRLAKS-ZJUUUORDSA-N -1 3 334.405 2.861 20 5 EFBDHM Cc1c(CSc2ccc(-c3nnn[n-]3)cn2)cccc1[N+](=O)[O-] ZINC001605488122 1097136105 /nfs/dbraw/zinc/13/61/05/1097136105.db2.gz PWVDDKKREIGWCW-UHFFFAOYSA-N -1 3 328.357 2.771 20 5 EFBDHM Cc1c(CSc2ccc(-c3nn[n-]n3)cn2)cccc1[N+](=O)[O-] ZINC001605488122 1097136108 /nfs/dbraw/zinc/13/61/08/1097136108.db2.gz PWVDDKKREIGWCW-UHFFFAOYSA-N -1 3 328.357 2.771 20 5 EFBDHM Cc1cc(-c2nnn[n-]2)cc(Oc2ccc([N+](=O)[O-])c(Cl)c2)n1 ZINC001605536129 1097151933 /nfs/dbraw/zinc/15/19/33/1097151933.db2.gz ZPBHDSWPGZKPFZ-UHFFFAOYSA-N -1 3 332.707 2.924 20 5 EFBDHM Cc1cc(-c2nn[n-]n2)cc(Oc2ccc([N+](=O)[O-])c(Cl)c2)n1 ZINC001605536129 1097151936 /nfs/dbraw/zinc/15/19/36/1097151936.db2.gz ZPBHDSWPGZKPFZ-UHFFFAOYSA-N -1 3 332.707 2.924 20 5 EFBDHM Cc1cc(C)c(-c2nnn[n-]2)c(NCc2cccc([N+](=O)[O-])c2C)n1 ZINC001605637674 1097176737 /nfs/dbraw/zinc/17/67/37/1097176737.db2.gz SMURYTWVUPRSFV-UHFFFAOYSA-N -1 3 339.359 2.707 20 5 EFBDHM Cc1cc(C)c(-c2nn[n-]n2)c(NCc2cccc([N+](=O)[O-])c2C)n1 ZINC001605637674 1097176740 /nfs/dbraw/zinc/17/67/40/1097176740.db2.gz SMURYTWVUPRSFV-UHFFFAOYSA-N -1 3 339.359 2.707 20 5 EFBDHM Cc1cc(C)cc(CNc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)c1 ZINC001605646930 1097179449 /nfs/dbraw/zinc/17/94/49/1097179449.db2.gz FBXHTADSBUGEQM-UHFFFAOYSA-N -1 3 339.359 2.586 20 5 EFBDHM Cc1cc(C)cc(CNc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)c1 ZINC001605646930 1097179451 /nfs/dbraw/zinc/17/94/51/1097179451.db2.gz FBXHTADSBUGEQM-UHFFFAOYSA-N -1 3 339.359 2.586 20 5 EFBDHM Cc1cc(COC(=O)c2ccc([N+](=O)[O-])s2)ccc1-c1nnn[n-]1 ZINC001605666980 1097186514 /nfs/dbraw/zinc/18/65/14/1097186514.db2.gz WWUXJSOZTURZSF-UHFFFAOYSA-N -1 3 345.340 2.502 20 5 EFBDHM Cc1cc(COC(=O)c2ccc([N+](=O)[O-])s2)ccc1-c1nn[n-]n1 ZINC001605666980 1097186515 /nfs/dbraw/zinc/18/65/15/1097186515.db2.gz WWUXJSOZTURZSF-UHFFFAOYSA-N -1 3 345.340 2.502 20 5 EFBDHM Cc1cc(N[C@H]2CCO[C@@H](C(C)C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605723243 1097207816 /nfs/dbraw/zinc/20/78/16/1097207816.db2.gz KKRHTKIYUVSOBK-XHDPSFHLSA-N -1 3 346.391 2.699 20 5 EFBDHM Cc1cc(N[C@H]2CCO[C@@H](C(C)C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605723243 1097207821 /nfs/dbraw/zinc/20/78/21/1097207821.db2.gz KKRHTKIYUVSOBK-XHDPSFHLSA-N -1 3 346.391 2.699 20 5 EFBDHM Cc1cc(NCc2ccc(-c3nnn[n-]3)cc2F)c(F)cc1[N+](=O)[O-] ZINC001605739803 1097211483 /nfs/dbraw/zinc/21/14/83/1097211483.db2.gz KGLFKHLKAIHJEW-UHFFFAOYSA-N -1 3 346.297 2.974 20 5 EFBDHM Cc1cc(NCc2ccc(-c3nn[n-]n3)cc2F)c(F)cc1[N+](=O)[O-] ZINC001605739803 1097211485 /nfs/dbraw/zinc/21/14/85/1097211485.db2.gz KGLFKHLKAIHJEW-UHFFFAOYSA-N -1 3 346.297 2.974 20 5 EFBDHM Cc1cc(NCc2ccc(-c3nnn[n-]3)cc2)c(F)cc1[N+](=O)[O-] ZINC001605740832 1097211656 /nfs/dbraw/zinc/21/16/56/1097211656.db2.gz WSDNHALJPHVDAU-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM Cc1cc(NCc2ccc(-c3nn[n-]n3)cc2)c(F)cc1[N+](=O)[O-] ZINC001605740832 1097211660 /nfs/dbraw/zinc/21/16/60/1097211660.db2.gz WSDNHALJPHVDAU-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM Cc1cc(N[C@@H]2C[C@H]2c2ccco2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605739869 1097211999 /nfs/dbraw/zinc/21/19/99/1097211999.db2.gz HPSVXNRVZDFBOS-BXKDBHETSA-N -1 3 326.316 2.644 20 5 EFBDHM Cc1cc(N[C@@H]2C[C@H]2c2ccco2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605739869 1097212004 /nfs/dbraw/zinc/21/20/04/1097212004.db2.gz HPSVXNRVZDFBOS-BXKDBHETSA-N -1 3 326.316 2.644 20 5 EFBDHM Cc1cc(OCc2ccc(F)cc2-c2nnn[n-]2)c(F)cc1[N+](=O)[O-] ZINC001605747566 1097215557 /nfs/dbraw/zinc/21/55/57/1097215557.db2.gz NOPQAFJUDSXZNA-UHFFFAOYSA-N -1 3 347.281 2.941 20 5 EFBDHM Cc1cc(OCc2ccc(F)cc2-c2nn[n-]n2)c(F)cc1[N+](=O)[O-] ZINC001605747566 1097215561 /nfs/dbraw/zinc/21/55/61/1097215561.db2.gz NOPQAFJUDSXZNA-UHFFFAOYSA-N -1 3 347.281 2.941 20 5 EFBDHM Cc1cc(Oc2ccc(-c3nnn[n-]3)c(C)n2)c(F)cc1[N+](=O)[O-] ZINC001605750496 1097216165 /nfs/dbraw/zinc/21/61/65/1097216165.db2.gz XLCOUKAOZWFFLO-UHFFFAOYSA-N -1 3 330.279 2.718 20 5 EFBDHM Cc1cc(Oc2ccc(-c3nn[n-]n3)c(C)n2)c(F)cc1[N+](=O)[O-] ZINC001605750496 1097216169 /nfs/dbraw/zinc/21/61/69/1097216169.db2.gz XLCOUKAOZWFFLO-UHFFFAOYSA-N -1 3 330.279 2.718 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(OCCOc2ccccc2-c2nnn[n-]2)c1 ZINC001605884717 1097265043 /nfs/dbraw/zinc/26/50/43/1097265043.db2.gz XTANQCSDNMZBOG-UHFFFAOYSA-N -1 3 341.327 2.541 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(OCCOc2ccccc2-c2nn[n-]n2)c1 ZINC001605884717 1097265048 /nfs/dbraw/zinc/26/50/48/1097265048.db2.gz XTANQCSDNMZBOG-UHFFFAOYSA-N -1 3 341.327 2.541 20 5 EFBDHM Cc1ccc2c(c1)CCN(c1cc(-c3nnn[n-]3)ccc1[N+](=O)[O-])C2 ZINC001605888270 1097266286 /nfs/dbraw/zinc/26/62/86/1097266286.db2.gz CJEGXIFAHQWBIP-UHFFFAOYSA-N -1 3 336.355 2.646 20 5 EFBDHM Cc1ccc2c(c1)CCN(c1cc(-c3nn[n-]n3)ccc1[N+](=O)[O-])C2 ZINC001605888270 1097266291 /nfs/dbraw/zinc/26/62/91/1097266291.db2.gz CJEGXIFAHQWBIP-UHFFFAOYSA-N -1 3 336.355 2.646 20 5 EFBDHM Cc1csc([C@@H](C)CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)n1 ZINC001606001822 1097295146 /nfs/dbraw/zinc/29/51/46/1097295146.db2.gz XBYKEYQZXBPMLZ-QMMMGPOBSA-N -1 3 345.388 2.755 20 5 EFBDHM O=C(CC1=CCCCC1)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001606492462 1097408136 /nfs/dbraw/zinc/40/81/36/1097408136.db2.gz FTUDOSQRZBGFRW-UHFFFAOYSA-N -1 3 343.343 2.709 20 5 EFBDHM O=C(CC1=CCCCC1)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001606492462 1097408144 /nfs/dbraw/zinc/40/81/44/1097408144.db2.gz FTUDOSQRZBGFRW-UHFFFAOYSA-N -1 3 343.343 2.709 20 5 EFBDHM COCCN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@@H]1CC[C@@H](C)C1 ZINC001606890276 1097465950 /nfs/dbraw/zinc/46/59/50/1097465950.db2.gz YTZRVEGXNJDDNJ-IUODEOHRSA-N -1 3 336.388 2.930 20 5 EFBDHM O=Cc1ccc(Oc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])cc1F ZINC001607056273 1097504363 /nfs/dbraw/zinc/50/43/63/1097504363.db2.gz ARCADHIUGGXWKC-UHFFFAOYSA-N -1 3 329.247 2.519 20 5 EFBDHM O=Cc1ccc(Oc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])cc1F ZINC001607056273 1097504370 /nfs/dbraw/zinc/50/43/70/1097504370.db2.gz ARCADHIUGGXWKC-UHFFFAOYSA-N -1 3 329.247 2.519 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NC[C@@H]1CCCCS1 ZINC001607077617 1097504960 /nfs/dbraw/zinc/50/49/60/1097504960.db2.gz PUHFTNATCLRTFG-QMMMGPOBSA-N -1 3 338.368 2.612 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NC[C@@H]1CCCCS1 ZINC001607077617 1097504964 /nfs/dbraw/zinc/50/49/64/1097504964.db2.gz PUHFTNATCLRTFG-QMMMGPOBSA-N -1 3 338.368 2.612 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1CN1CC2(CC2)c2ccccc21 ZINC001607076630 1097505468 /nfs/dbraw/zinc/50/54/68/1097505468.db2.gz ACOHGBVQSDLLCM-UHFFFAOYSA-N -1 3 348.366 2.827 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1CN1CC2(CC2)c2ccccc21 ZINC001607076630 1097505474 /nfs/dbraw/zinc/50/54/74/1097505474.db2.gz ACOHGBVQSDLLCM-UHFFFAOYSA-N -1 3 348.366 2.827 20 5 EFBDHM O=[N+]([O-])c1cc(F)ccc1COc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001607079221 1097506602 /nfs/dbraw/zinc/50/66/02/1097506602.db2.gz YHRDXLFRQHELLM-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1cc(F)ccc1COc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001607079221 1097506607 /nfs/dbraw/zinc/50/66/07/1097506607.db2.gz YHRDXLFRQHELLM-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NCCCC1CCCCC1 ZINC001607080013 1097506909 /nfs/dbraw/zinc/50/69/09/1097506909.db2.gz GBHMUCAXQYCAMD-UHFFFAOYSA-N -1 3 331.380 2.942 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NCCCC1CCCCC1 ZINC001607080013 1097506915 /nfs/dbraw/zinc/50/69/15/1097506915.db2.gz GBHMUCAXQYCAMD-UHFFFAOYSA-N -1 3 331.380 2.942 20 5 EFBDHM O=[N+]([O-])c1cc(N2CC(Cc3ccsc3)C2)ccc1-c1nnn[n-]1 ZINC001607079289 1097507405 /nfs/dbraw/zinc/50/74/05/1097507405.db2.gz ZLIPRLBSQCXUAO-UHFFFAOYSA-N -1 3 342.384 2.515 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCC1(c2ccccc2)CC1 ZINC001607082764 1097508533 /nfs/dbraw/zinc/50/85/33/1097508533.db2.gz RXAKYPRBLJGBHA-UHFFFAOYSA-N -1 3 336.355 2.919 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCC1(c2ccccc2)CC1 ZINC001607082764 1097508538 /nfs/dbraw/zinc/50/85/38/1097508538.db2.gz RXAKYPRBLJGBHA-UHFFFAOYSA-N -1 3 336.355 2.919 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NC[C@H]1C[C@@H]1c1ccccc1 ZINC001607083057 1097509388 /nfs/dbraw/zinc/50/93/88/1097509388.db2.gz VQIQUWNUJPXVGJ-ZIAGYGMSSA-N -1 3 336.355 2.991 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NC[C@H]1C[C@@H]1c1ccccc1 ZINC001607083057 1097509394 /nfs/dbraw/zinc/50/93/94/1097509394.db2.gz VQIQUWNUJPXVGJ-ZIAGYGMSSA-N -1 3 336.355 2.991 20 5 EFBDHM O=[N+]([O-])c1ccc(SCc2ccncc2-c2nnn[n-]2)c(F)c1 ZINC001607083531 1097509460 /nfs/dbraw/zinc/50/94/60/1097509460.db2.gz JDULGKWVWRSXPA-UHFFFAOYSA-N -1 3 332.320 2.601 20 5 EFBDHM O=[N+]([O-])c1ccc(SCc2ccncc2-c2nn[n-]n2)c(F)c1 ZINC001607083531 1097509465 /nfs/dbraw/zinc/50/94/65/1097509465.db2.gz JDULGKWVWRSXPA-UHFFFAOYSA-N -1 3 332.320 2.601 20 5 EFBDHM O=[N+]([O-])c1ccc2c(c1)CN(c1ccc(-c3nnn[n-]3)c(Cl)c1)C2 ZINC001607083385 1097509893 /nfs/dbraw/zinc/50/98/93/1097509893.db2.gz GALHTKHTJIUQNJ-UHFFFAOYSA-N -1 3 342.746 2.949 20 5 EFBDHM O=[N+]([O-])c1ccc2c(c1)CN(c1ccc(-c3nn[n-]n3)c(Cl)c1)C2 ZINC001607083385 1097509901 /nfs/dbraw/zinc/50/99/01/1097509901.db2.gz GALHTKHTJIUQNJ-UHFFFAOYSA-N -1 3 342.746 2.949 20 5 EFBDHM O=[N+]([O-])c1cnc(N[C@H]2C[C@H](c3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC001607085447 1097510269 /nfs/dbraw/zinc/51/02/69/1097510269.db2.gz CIOFQTRIVLZPAN-HAQNSBGRSA-N -1 3 337.343 2.528 20 5 EFBDHM O=[N+]([O-])c1cnc(N[C@H]2C[C@H](c3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC001607085447 1097510274 /nfs/dbraw/zinc/51/02/74/1097510274.db2.gz CIOFQTRIVLZPAN-HAQNSBGRSA-N -1 3 337.343 2.528 20 5 EFBDHM O=[N+]([O-])c1cnc(Sc2cccc(F)c2-c2nnn[n-]2)c(F)c1 ZINC001607086377 1097510373 /nfs/dbraw/zinc/51/03/73/1097510373.db2.gz WFYGCUBLCDBILA-UHFFFAOYSA-N -1 3 336.283 2.599 20 5 EFBDHM COc1cccc([C@@H](NCc2cccc([N+](=O)[O-])c2C)C(=O)[O-])c1 ZINC001607313394 1097596865 /nfs/dbraw/zinc/59/68/65/1097596865.db2.gz NKZUZEZCVFOUKR-MRXNPFEDSA-N -1 3 330.340 2.827 20 5 EFBDHM O=C([O-])C1(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC001608571117 1097958384 /nfs/dbraw/zinc/95/83/84/1097958384.db2.gz SWRKJAWNUVRCQW-UHFFFAOYSA-N -1 3 333.369 2.673 20 5 EFBDHM CC(C)[C@@]1(C)C[C@@H]1C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609090426 1098140470 /nfs/dbraw/zinc/14/04/70/1098140470.db2.gz UHBFQVIDUPIZMD-MLGOLLRUSA-N -1 3 345.359 2.500 20 5 EFBDHM CC(C)[C@@]1(C)C[C@@H]1C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609090426 1098140472 /nfs/dbraw/zinc/14/04/72/1098140472.db2.gz UHBFQVIDUPIZMD-MLGOLLRUSA-N -1 3 345.359 2.500 20 5 EFBDHM CC(C)O[C@H]1C[C@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1(C)C ZINC001609100893 1098145337 /nfs/dbraw/zinc/14/53/37/1098145337.db2.gz LAPGXRUDYGRETI-KBPBESRZSA-N -1 3 346.391 2.779 20 5 EFBDHM CC(C)O[C@H]1C[C@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1(C)C ZINC001609100893 1098145340 /nfs/dbraw/zinc/14/53/40/1098145340.db2.gz LAPGXRUDYGRETI-KBPBESRZSA-N -1 3 346.391 2.779 20 5 EFBDHM C[C@](O)(CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC001609127509 1098159428 /nfs/dbraw/zinc/15/94/28/1098159428.db2.gz KMRCNPXMRJOKGI-INIZCTEOSA-N -1 3 346.391 2.518 20 5 EFBDHM C[C@H](c1ccco1)N(C)Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609142448 1098166658 /nfs/dbraw/zinc/16/66/58/1098166658.db2.gz ZPHAAMJGEZQHQL-SNVBAGLBSA-N -1 3 328.332 2.561 20 5 EFBDHM C[C@H](c1ccco1)N(C)Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609142448 1098166661 /nfs/dbraw/zinc/16/66/61/1098166661.db2.gz ZPHAAMJGEZQHQL-SNVBAGLBSA-N -1 3 328.332 2.561 20 5 EFBDHM C[C@@H]1CC(CCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC001609156398 1098172581 /nfs/dbraw/zinc/17/25/81/1098172581.db2.gz HMKSKGHEGOPYPC-GHMZBOCLSA-N -1 3 346.391 2.781 20 5 EFBDHM C[C@@H]1CC(CCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC001609156398 1098172584 /nfs/dbraw/zinc/17/25/84/1098172584.db2.gz HMKSKGHEGOPYPC-GHMZBOCLSA-N -1 3 346.391 2.781 20 5 EFBDHM C[C@H]1CCC[C@H]1CC(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609163699 1098177818 /nfs/dbraw/zinc/17/78/18/1098177818.db2.gz DIELMTJMYQHSKM-QWRGUYRKSA-N -1 3 345.359 2.644 20 5 EFBDHM C[C@H]1CCC[C@H]1CC(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609163699 1098177823 /nfs/dbraw/zinc/17/78/23/1098177823.db2.gz DIELMTJMYQHSKM-QWRGUYRKSA-N -1 3 345.359 2.644 20 5 EFBDHM C[C@@H]1CCC[C@H]1CC(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609163698 1098177990 /nfs/dbraw/zinc/17/79/90/1098177990.db2.gz DIELMTJMYQHSKM-MNOVXSKESA-N -1 3 345.359 2.644 20 5 EFBDHM C[C@@H]1CCC[C@H]1CC(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609163698 1098177994 /nfs/dbraw/zinc/17/79/94/1098177994.db2.gz DIELMTJMYQHSKM-MNOVXSKESA-N -1 3 345.359 2.644 20 5 EFBDHM C[C@H]1CC[C@]2(CCN(c3cc(-c4nnn[n-]4)ccc3[N+](=O)[O-])C2)C1 ZINC001609163102 1098178149 /nfs/dbraw/zinc/17/81/49/1098178149.db2.gz RXTPWIFRKSONQV-ZBEGNZNMSA-N -1 3 328.376 2.791 20 5 EFBDHM C[C@H]1CC[C@]2(CCN(c3cc(-c4nn[n-]n4)ccc3[N+](=O)[O-])C2)C1 ZINC001609163102 1098178151 /nfs/dbraw/zinc/17/81/51/1098178151.db2.gz RXTPWIFRKSONQV-ZBEGNZNMSA-N -1 3 328.376 2.791 20 5 EFBDHM C[C@@H]1CCC[C@@H]1CC(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609163697 1098178250 /nfs/dbraw/zinc/17/82/50/1098178250.db2.gz DIELMTJMYQHSKM-GHMZBOCLSA-N -1 3 345.359 2.644 20 5 EFBDHM C[C@@H]1CCC[C@@H]1CC(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609163697 1098178253 /nfs/dbraw/zinc/17/82/53/1098178253.db2.gz DIELMTJMYQHSKM-GHMZBOCLSA-N -1 3 345.359 2.644 20 5 EFBDHM CCO[C@H](CCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)C(C)C ZINC001609236914 1098215857 /nfs/dbraw/zinc/21/58/57/1098215857.db2.gz LZMIXWXJFJQUGQ-CQSZACIVSA-N -1 3 334.380 2.638 20 5 EFBDHM CN(Cc1cc2ccccc2[nH]1)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609277380 1098235132 /nfs/dbraw/zinc/23/51/32/1098235132.db2.gz BQFVMPAZZHCJAR-UHFFFAOYSA-N -1 3 349.354 2.893 20 5 EFBDHM CN(Cc1cccc(-c2nnn[n-]2)c1)c1c(F)cccc1[N+](=O)[O-] ZINC001609280193 1098237504 /nfs/dbraw/zinc/23/75/04/1098237504.db2.gz GYBVVTLOBCHZIF-UHFFFAOYSA-N -1 3 328.307 2.550 20 5 EFBDHM CN(Cc1cccc(-c2nn[n-]n2)c1)c1c(F)cccc1[N+](=O)[O-] ZINC001609280193 1098237507 /nfs/dbraw/zinc/23/75/07/1098237507.db2.gz GYBVVTLOBCHZIF-UHFFFAOYSA-N -1 3 328.307 2.550 20 5 EFBDHM COc1cc(CNc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])cc1F ZINC001609345748 1098258539 /nfs/dbraw/zinc/25/85/39/1098258539.db2.gz ZEKUQFIYPKKNED-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM COc1cc(OCc2ccc(-c3nnn[n-]3)c(C)c2)ccc1[N+](=O)[O-] ZINC001609348283 1098258867 /nfs/dbraw/zinc/25/88/67/1098258867.db2.gz MCZDYPZXHNZGGR-UHFFFAOYSA-N -1 3 341.327 2.671 20 5 EFBDHM COc1cc(OCc2ccc(-c3nn[n-]n3)c(C)c2)ccc1[N+](=O)[O-] ZINC001609348283 1098258875 /nfs/dbraw/zinc/25/88/75/1098258875.db2.gz MCZDYPZXHNZGGR-UHFFFAOYSA-N -1 3 341.327 2.671 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1CNc1cccc(-c2nnn[n-]2)c1C ZINC001609348714 1098260326 /nfs/dbraw/zinc/26/03/26/1098260326.db2.gz IGJZKAZINCHPPA-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1CNc1cccc(-c2nn[n-]n2)c1C ZINC001609348714 1098260332 /nfs/dbraw/zinc/26/03/32/1098260332.db2.gz IGJZKAZINCHPPA-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM COc1ccc([N+](=O)[O-])cc1OCc1ccc(-c2nnn[n-]2)cc1F ZINC001609359555 1098265885 /nfs/dbraw/zinc/26/58/85/1098265885.db2.gz WSXLRPYOCFNJCZ-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1ccc([N+](=O)[O-])cc1OCc1ccc(-c2nn[n-]n2)cc1F ZINC001609359555 1098265890 /nfs/dbraw/zinc/26/58/90/1098265890.db2.gz WSXLRPYOCFNJCZ-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1cccc([C@H](C)Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)c1 ZINC001609361053 1098266017 /nfs/dbraw/zinc/26/60/17/1098266017.db2.gz BGJYOGCIRGXJMF-JTQLQIEISA-N -1 3 340.343 2.957 20 5 EFBDHM Cc1c([N+](=O)[O-])ccc(F)c1NCc1cc(-c2nnn[n-]2)ccc1F ZINC001609385658 1098277570 /nfs/dbraw/zinc/27/75/70/1098277570.db2.gz PSNZXMMCLLPLSI-UHFFFAOYSA-N -1 3 346.297 2.974 20 5 EFBDHM Cc1c([N+](=O)[O-])ccc(F)c1NCc1cc(-c2nn[n-]n2)ccc1F ZINC001609385658 1098277577 /nfs/dbraw/zinc/27/75/77/1098277577.db2.gz PSNZXMMCLLPLSI-UHFFFAOYSA-N -1 3 346.297 2.974 20 5 EFBDHM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1sccc1-c1nnn[n-]1 ZINC001609397715 1098287906 /nfs/dbraw/zinc/28/79/06/1098287906.db2.gz RJUWZUHDLKRSGF-UHFFFAOYSA-N -1 3 344.356 2.706 20 5 EFBDHM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1sccc1-c1nn[n-]n1 ZINC001609397715 1098287914 /nfs/dbraw/zinc/28/79/14/1098287914.db2.gz RJUWZUHDLKRSGF-UHFFFAOYSA-N -1 3 344.356 2.706 20 5 EFBDHM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001609397703 1098287974 /nfs/dbraw/zinc/28/79/74/1098287974.db2.gz QUWQXYZNFIQMGR-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001609397703 1098287977 /nfs/dbraw/zinc/28/79/77/1098287977.db2.gz QUWQXYZNFIQMGR-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM Cc1cc(Cl)nc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001609403595 1098293808 /nfs/dbraw/zinc/29/38/08/1098293808.db2.gz DREQROULHQZZRT-UHFFFAOYSA-N -1 3 345.750 2.744 20 5 EFBDHM Cc1cc(Cl)nc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001609403595 1098293813 /nfs/dbraw/zinc/29/38/13/1098293813.db2.gz DREQROULHQZZRT-UHFFFAOYSA-N -1 3 345.750 2.744 20 5 EFBDHM Cc1cc(NCCC2CC(F)(F)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609409359 1098296845 /nfs/dbraw/zinc/29/68/45/1098296845.db2.gz IMAMCFSDOPFERS-UHFFFAOYSA-N -1 3 338.318 2.931 20 5 EFBDHM Cc1cc(NCCC2CC(F)(F)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609409359 1098296849 /nfs/dbraw/zinc/29/68/49/1098296849.db2.gz IMAMCFSDOPFERS-UHFFFAOYSA-N -1 3 338.318 2.931 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1OC(=O)c1cccc(-c2nnn[n-]2)c1C ZINC001609428087 1098313317 /nfs/dbraw/zinc/31/33/17/1098313317.db2.gz FDOMTWQWBXCCRO-UHFFFAOYSA-N -1 3 339.311 2.611 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1OC(=O)c1cccc(-c2nn[n-]n2)c1C ZINC001609428087 1098313325 /nfs/dbraw/zinc/31/33/25/1098313325.db2.gz FDOMTWQWBXCCRO-UHFFFAOYSA-N -1 3 339.311 2.611 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1OCCOc1ccccc1-c1nnn[n-]1 ZINC001609428336 1098313642 /nfs/dbraw/zinc/31/36/42/1098313642.db2.gz WSJVCAKBGWBTDB-UHFFFAOYSA-N -1 3 341.327 2.541 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1OCCOc1ccccc1-c1nn[n-]n1 ZINC001609428336 1098313648 /nfs/dbraw/zinc/31/36/48/1098313648.db2.gz WSJVCAKBGWBTDB-UHFFFAOYSA-N -1 3 341.327 2.541 20 5 EFBDHM O=[N+]([O-])c1cc(N2CC(C3CCCCC3)C2)ccc1-c1nnn[n-]1 ZINC001609600605 1098394345 /nfs/dbraw/zinc/39/43/45/1098394345.db2.gz UAXGIVSLBUEYLF-UHFFFAOYSA-N -1 3 328.376 2.791 20 5 EFBDHM O=[N+]([O-])c1cc(N2CC[C@H](c3ccccc3)C2)ccc1-c1nnn[n-]1 ZINC001609600789 1098394419 /nfs/dbraw/zinc/39/44/19/1098394419.db2.gz DPNVDSYFCXEZKB-ZDUSSCGKSA-N -1 3 336.355 2.769 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CC(c3ccccc3F)C2)c(-c2nnn[n-]2)c1 ZINC001609601720 1098395780 /nfs/dbraw/zinc/39/57/80/1098395780.db2.gz WVSYMBDEOWEXKA-UHFFFAOYSA-N -1 3 340.318 2.518 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CC(c3ccccc3F)C2)c(-c2nn[n-]n2)c1 ZINC001609601720 1098395786 /nfs/dbraw/zinc/39/57/86/1098395786.db2.gz WVSYMBDEOWEXKA-UHFFFAOYSA-N -1 3 340.318 2.518 20 5 EFBDHM O=[N+]([O-])c1ccc(NCc2ccc(-c3nnn[n-]3)cc2)c2ncccc12 ZINC001609602262 1098396982 /nfs/dbraw/zinc/39/69/82/1098396982.db2.gz USHLJPASJRJYFE-UHFFFAOYSA-N -1 3 347.338 2.935 20 5 EFBDHM O=[N+]([O-])c1ccc(NCc2ccc(-c3nn[n-]n3)cc2)c2ncccc12 ZINC001609602262 1098396988 /nfs/dbraw/zinc/39/69/88/1098396988.db2.gz USHLJPASJRJYFE-UHFFFAOYSA-N -1 3 347.338 2.935 20 5 EFBDHM O=C([O-])C[C@@]1(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCOC1 ZINC001610758386 1098869446 /nfs/dbraw/zinc/86/94/46/1098869446.db2.gz TUNWUFYSOFZUMU-KRWDZBQOSA-N -1 3 346.339 2.578 20 5 EFBDHM CN(CCN(C)c1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1[O-] ZINC001105331153 1099081453 /nfs/dbraw/zinc/08/14/53/1099081453.db2.gz RKCXJWYMFBZBCY-UHFFFAOYSA-N -1 3 329.356 2.509 20 5 EFBDHM CN(CCN(C)c1cccc(F)c1[N+](=O)[O-])C(=O)c1ccccc1[O-] ZINC001105330794 1099083896 /nfs/dbraw/zinc/08/38/96/1099083896.db2.gz CENWSNYMCRCBDQ-UHFFFAOYSA-N -1 3 347.346 2.648 20 5 EFBDHM Cc1ccc(N(C)CCN(C)C(=O)c2ccccc2[O-])c([N+](=O)[O-])c1 ZINC001105330744 1099084087 /nfs/dbraw/zinc/08/40/87/1099084087.db2.gz ABIXFJUZKKMSAM-UHFFFAOYSA-N -1 3 343.383 2.817 20 5 EFBDHM C/C=C(\C)C(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC1 ZINC001104383371 1102666772 /nfs/dbraw/zinc/66/67/72/1102666772.db2.gz MBEMSXXTURWILV-QDEBKDIKSA-N -1 3 334.376 2.503 20 5 EFBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)/C=C/C(C)(C)C ZINC001106706472 1111741196 /nfs/dbraw/zinc/74/11/96/1111741196.db2.gz BTZPPXJSTKQPGV-SOFGYWHQSA-N -1 3 336.392 2.558 20 5 EFBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)CCC1(C)CC1 ZINC001106841659 1111905981 /nfs/dbraw/zinc/90/59/81/1111905981.db2.gz MGWRBXXYKQYJEI-UHFFFAOYSA-N -1 3 336.392 2.536 20 5 EFBDHM O=C(NC/C=C/CNc1ccc(F)cc1[N+](=O)[O-])c1ccccc1[O-] ZINC001107047179 1120096932 /nfs/dbraw/zinc/09/69/32/1120096932.db2.gz NMYSZQATOPBXDB-ONEGZZNKSA-N -1 3 345.330 2.838 20 5 EFBDHM O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc([O-])cc1 ZINC000003416455 210032293 /nfs/dbraw/zinc/03/22/93/210032293.db2.gz XHMATCHYCUSOBB-UHFFFAOYSA-N -1 3 341.279 2.707 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1c(F)cc(F)cc1F ZINC000174756406 239240241 /nfs/dbraw/zinc/24/02/41/239240241.db2.gz PPZYQGATQATPIY-UHFFFAOYSA-N -1 3 332.259 2.813 20 5 EFBDHM Cc1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccc1N1CCCC1 ZINC000193397072 240146568 /nfs/dbraw/zinc/14/65/68/240146568.db2.gz SQQNSUQXZALDMT-UHFFFAOYSA-N -1 3 342.355 2.856 20 5 EFBDHM CSC1(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CCC1 ZINC000194008728 240398118 /nfs/dbraw/zinc/39/81/18/240398118.db2.gz SOWITASSCLYZBY-UHFFFAOYSA-N -1 3 344.458 2.776 20 5 EFBDHM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@H](c1ccccc1)N(C)C ZINC000436938089 296105407 /nfs/dbraw/zinc/10/54/07/296105407.db2.gz JXKQGHMLQMAGEM-SJKOYZFVSA-N -1 3 343.383 2.722 20 5 EFBDHM O=C([N-]O[C@@H]1CCCCO1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000079801349 217254910 /nfs/dbraw/zinc/25/49/10/217254910.db2.gz PCNJSBFXHUNIAA-LLVKDONJSA-N -1 3 345.149 2.545 20 5 EFBDHM O=C([N-]O[C@H]1CCCCO1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000079801353 217255160 /nfs/dbraw/zinc/25/51/60/217255160.db2.gz PCNJSBFXHUNIAA-NSHDSACASA-N -1 3 345.149 2.545 20 5 EFBDHM COc1cc([N+](=O)[O-])c(C(=O)[N-]O[C@H]2CCCCO2)cc1SC ZINC000264211643 246189634 /nfs/dbraw/zinc/18/96/34/246189634.db2.gz URBHEEDMKQXASU-ZDUSSCGKSA-N -1 3 342.373 2.513 20 5 EFBDHM O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ncccc1[O-] ZINC000084585673 217616716 /nfs/dbraw/zinc/61/67/16/217616716.db2.gz LXIOOBXZHRNHJU-UHFFFAOYSA-N -1 3 345.358 2.894 20 5 EFBDHM COc1cc(Cl)c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1C ZINC000426018413 247227141 /nfs/dbraw/zinc/22/71/41/247227141.db2.gz BTFVXSGNLYTOQL-UHFFFAOYSA-N -1 3 337.719 2.918 20 5 EFBDHM COC(=O)c1nc([N-]C(=O)c2ccc([N+](=O)[O-])o2)sc1C1CC1 ZINC000429501117 247644294 /nfs/dbraw/zinc/64/42/94/247644294.db2.gz GVZLNIICFQESNO-UHFFFAOYSA-N -1 3 337.313 2.561 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C)CC1 ZINC000442784226 250117524 /nfs/dbraw/zinc/11/75/24/250117524.db2.gz PDLPNZKEDAIOSQ-VXGBXAGGSA-N -1 3 342.417 2.851 20 5 EFBDHM CCc1[nH]nc(C(=O)Nc2ccc([O-])cc2OC(C)C)c1[N+](=O)[O-] ZINC000444393948 250296540 /nfs/dbraw/zinc/29/65/40/250296540.db2.gz CWSLKNDXRWRMTM-UHFFFAOYSA-N -1 3 334.332 2.625 20 5 EFBDHM COc1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccc1OC(C)C ZINC000445208169 250395506 /nfs/dbraw/zinc/39/55/06/250395506.db2.gz CYPXLTJFLXFQAE-UHFFFAOYSA-N -1 3 347.327 2.744 20 5 EFBDHM CC[C@@H]([N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000095433805 218376602 /nfs/dbraw/zinc/37/66/02/218376602.db2.gz JZNXYWQIZBHBIC-GFCCVEGCSA-N -1 3 341.414 2.622 20 5 EFBDHM CO[C@H]1CCC[C@H](C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)C1 ZINC000449832046 251171014 /nfs/dbraw/zinc/17/10/14/251171014.db2.gz AEJIHXCGFKHZDY-JSGCOSHPSA-N -1 3 344.371 2.551 20 5 EFBDHM Cc1nn(CCC(=O)Nc2ccc(Cl)cc2[O-])c(C)c1[N+](=O)[O-] ZINC000153484220 224111611 /nfs/dbraw/zinc/11/16/11/224111611.db2.gz ZKDGTFONJNBTFH-UHFFFAOYSA-N -1 3 338.751 2.796 20 5 EFBDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000116979398 221019744 /nfs/dbraw/zinc/01/97/44/221019744.db2.gz JSQLFTVLYKSDNC-UHFFFAOYSA-N -1 3 338.751 2.796 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCCCC2(C)C)c([N+](=O)[O-])c1 ZINC000467135346 256008934 /nfs/dbraw/zinc/00/89/34/256008934.db2.gz IFIWAGZZMCSGCN-CQSZACIVSA-N -1 3 342.417 2.851 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-][C@H]2CCCCC2(C)C)c([N+](=O)[O-])c1 ZINC000467135345 256009148 /nfs/dbraw/zinc/00/91/48/256009148.db2.gz IFIWAGZZMCSGCN-AWEZNQCLSA-N -1 3 342.417 2.851 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)c2ccccn2)c1C ZINC000119343739 221298616 /nfs/dbraw/zinc/29/86/16/221298616.db2.gz VJRFWFYYFPKBTP-LBPRGKRZSA-N -1 3 335.385 2.646 20 5 EFBDHM CS(=O)(=O)c1ccc(Sc2cccc([O-])c2)c([N+](=O)[O-])c1 ZINC000130415714 533453499 /nfs/dbraw/zinc/45/34/99/533453499.db2.gz BODZXUQWZLHCID-UHFFFAOYSA-N -1 3 325.367 2.855 20 5 EFBDHM COc1cccc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1[O-] ZINC000176882174 533404909 /nfs/dbraw/zinc/40/49/09/533404909.db2.gz AUERHZNHZBBXBO-UHFFFAOYSA-N -1 3 330.340 2.974 20 5 EFBDHM O=C(CSc1n[n-]c(-c2ccccn2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000343482161 142006233 /nfs/dbraw/zinc/00/62/33/142006233.db2.gz VDFQMZBKKZIVGZ-UHFFFAOYSA-N -1 3 341.352 2.750 20 5 EFBDHM COc1cc(CNCc2nnc(C(C)C)s2)c([N+](=O)[O-])cc1[O-] ZINC000344629487 142052228 /nfs/dbraw/zinc/05/22/28/142052228.db2.gz KHAWYVDWDCFOJY-UHFFFAOYSA-N -1 3 338.389 2.574 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCSC(C)C)cc1C ZINC000344816887 142083322 /nfs/dbraw/zinc/08/33/22/142083322.db2.gz WIEGNJFFJPXUJC-UHFFFAOYSA-N -1 3 332.447 2.632 20 5 EFBDHM Cc1c(Cl)cc(S(=O)(=O)[N-][C@@H]2CC[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000344950812 142102200 /nfs/dbraw/zinc/10/22/00/142102200.db2.gz QUPPRLQWXGGTRL-RKDXNWHRSA-N -1 3 336.772 2.726 20 5 EFBDHM Cc1c(Cl)cc(S(=O)(=O)[N-][C@@H]2CC[C@H](F)C2)cc1[N+](=O)[O-] ZINC000344950807 142102297 /nfs/dbraw/zinc/10/22/97/142102297.db2.gz QUPPRLQWXGGTRL-DTWKUNHWSA-N -1 3 336.772 2.726 20 5 EFBDHM Cc1ccc([O-])c(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)n1 ZINC000345942592 142121226 /nfs/dbraw/zinc/12/12/26/142121226.db2.gz QJEXGXBUCNUFMG-UHFFFAOYSA-N -1 3 328.328 2.830 20 5 EFBDHM Cc1ccc([O-])c(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)n1 ZINC000345999294 142130924 /nfs/dbraw/zinc/13/09/24/142130924.db2.gz VFTAZSHKTJZOEA-UHFFFAOYSA-N -1 3 330.344 2.835 20 5 EFBDHM CCN(CCN1CCCCCC1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000346300522 142185955 /nfs/dbraw/zinc/18/59/55/142185955.db2.gz UBZKYLDGTUHQNU-UHFFFAOYSA-N -1 3 335.404 2.639 20 5 EFBDHM Cc1cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc2n[nH]cc21 ZINC000347557282 142235658 /nfs/dbraw/zinc/23/56/58/142235658.db2.gz IBWGORLZJGVJDW-UHFFFAOYSA-N -1 3 336.311 2.908 20 5 EFBDHM Cc1cc([N-]C(=O)COc2cc(C)c([N+](=O)[O-])cc2Cl)on1 ZINC000349910732 142377746 /nfs/dbraw/zinc/37/77/46/142377746.db2.gz IKACKLSSINLZSS-UHFFFAOYSA-N -1 3 325.708 2.871 20 5 EFBDHM O=C(NCCCNc1c(F)cccc1[N+](=O)[O-])c1cccc([O-])c1 ZINC000342096734 145061792 /nfs/dbraw/zinc/06/17/92/145061792.db2.gz OTFZHADSYNGFKV-UHFFFAOYSA-N -1 3 333.319 2.672 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CC23CCCCC3)cc1[N+](=O)[O-] ZINC000342508514 145140581 /nfs/dbraw/zinc/14/05/81/145140581.db2.gz UZTBLGSSKYRDRY-NSHDSACASA-N -1 3 330.431 2.966 20 5 EFBDHM O=C([N-]c1ccnc(-c2cncs2)n1)c1ccc([N+](=O)[O-])s1 ZINC000344072843 145362302 /nfs/dbraw/zinc/36/23/02/145362302.db2.gz MXLNARACJAVLGL-UHFFFAOYSA-N -1 3 333.354 2.822 20 5 EFBDHM Cc1ccc(-c2nnc([N-]C(=O)c3cc([N+](=O)[O-])n[nH]3)s2)c(C)c1 ZINC000351532062 146140045 /nfs/dbraw/zinc/14/00/45/146140045.db2.gz JBRDANIDXOZXNO-UHFFFAOYSA-N -1 3 344.356 2.706 20 5 EFBDHM C[C@@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000352883960 146339833 /nfs/dbraw/zinc/33/98/33/146339833.db2.gz QDRMHTYLGWPGNV-LBPRGKRZSA-N -1 3 348.380 2.535 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1C[C@H]1Cc1ccccc1 ZINC000352934577 146352571 /nfs/dbraw/zinc/35/25/71/146352571.db2.gz HOFIYSRMTJPYEE-KGLIPLIRSA-N -1 3 332.381 2.504 20 5 EFBDHM CN(C)CCN(CC1CCCCC1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000355618685 147014274 /nfs/dbraw/zinc/01/42/74/147014274.db2.gz HIOLRSYWUWOTRQ-UHFFFAOYSA-N -1 3 349.431 2.885 20 5 EFBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1cccc2c[nH]nc21 ZINC000355677509 147032544 /nfs/dbraw/zinc/03/25/44/147032544.db2.gz FPEPVQVOHQENIN-UHFFFAOYSA-N -1 3 348.322 2.535 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](C)C(F)(F)F)c1C ZINC000356686896 147309266 /nfs/dbraw/zinc/30/92/66/147309266.db2.gz DZFLTOCMBDRSNK-MRVPVSSYSA-N -1 3 340.323 2.688 20 5 EFBDHM O=[N+]([O-])c1ccc(NCc2nnc(C(F)(F)F)[n-]2)c2ncccc12 ZINC000359685254 148163017 /nfs/dbraw/zinc/16/30/17/148163017.db2.gz LZGJQRSZGDSKEE-UHFFFAOYSA-N -1 3 338.249 2.892 20 5 EFBDHM O=[N+]([O-])c1ccc(NCc2n[n-]c(C(F)(F)F)n2)c2ncccc12 ZINC000359685254 148163020 /nfs/dbraw/zinc/16/30/20/148163020.db2.gz LZGJQRSZGDSKEE-UHFFFAOYSA-N -1 3 338.249 2.892 20 5 EFBDHM O=[N+]([O-])c1ccc(NCc2nc(C(F)(F)F)n[n-]2)c2ncccc12 ZINC000359685254 148163022 /nfs/dbraw/zinc/16/30/22/148163022.db2.gz LZGJQRSZGDSKEE-UHFFFAOYSA-N -1 3 338.249 2.892 20 5 EFBDHM CCc1cnccc1C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000359996598 148245917 /nfs/dbraw/zinc/24/59/17/148245917.db2.gz XPZAXSNTSSTNPI-UHFFFAOYSA-N -1 3 349.412 2.648 20 5 EFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCSCC(C)C)c1[N+](=O)[O-] ZINC000360026251 148253386 /nfs/dbraw/zinc/25/33/86/148253386.db2.gz XZWFYBLVFRZZPW-UHFFFAOYSA-N -1 3 346.474 2.879 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)c([N+](=O)[O-])c1 ZINC000357163846 292183784 /nfs/dbraw/zinc/18/37/84/292183784.db2.gz CTPOCYIOCINPHY-IAOVAPTHSA-N -1 3 344.392 2.520 20 5 EFBDHM CCO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000452067032 286205703 /nfs/dbraw/zinc/20/57/03/286205703.db2.gz LSKHNYKYCNEBHH-TZMCWYRMSA-N -1 3 342.417 2.529 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000352127054 286250008 /nfs/dbraw/zinc/25/00/08/286250008.db2.gz HWRBVQVXDKRCOZ-QJPTWQEYSA-N -1 3 342.417 2.706 20 5 EFBDHM COc1cccc([C@H]([N-]c2ncc([N+](=O)[O-])s2)c2nccn2C)c1 ZINC000374496348 151357106 /nfs/dbraw/zinc/35/71/06/151357106.db2.gz NMOGRBRWURYXOF-ZDUSSCGKSA-N -1 3 345.384 2.995 20 5 EFBDHM COc1ccccc1[C@@H]([N-]c1ncc([N+](=O)[O-])s1)c1nccn1C ZINC000374494221 151357280 /nfs/dbraw/zinc/35/72/80/151357280.db2.gz CDCJUQADRRVRSQ-CYBMUJFWSA-N -1 3 345.384 2.995 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H](C)CC2)c([N+](=O)[O-])c1 ZINC000442782062 286352675 /nfs/dbraw/zinc/35/26/75/286352675.db2.gz PGHXYPOZMMSORY-RYUDHWBXSA-N -1 3 342.417 2.851 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000354484843 286351846 /nfs/dbraw/zinc/35/18/46/286351846.db2.gz BEDJNMJWVQFBOK-DMDPSCGWSA-N -1 3 342.417 2.706 20 5 EFBDHM CN(C)CCN(Cc1ccccc1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164414594 226070691 /nfs/dbraw/zinc/07/06/91/226070691.db2.gz RFZLSSMAACUXMJ-UHFFFAOYSA-N -1 3 343.383 2.504 20 5 EFBDHM Cc1ccc(F)c(S(=O)(=O)[N-]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000053671486 292646637 /nfs/dbraw/zinc/64/66/37/292646637.db2.gz BXZUWJQXHNBXEC-UHFFFAOYSA-N -1 3 338.360 2.563 20 5 EFBDHM Cc1nnc([N-]C(=O)c2cc(Br)cc([N+](=O)[O-])c2)s1 ZINC000153312287 264720308 /nfs/dbraw/zinc/72/03/08/264720308.db2.gz SUXBJXCUIAMSOP-UHFFFAOYSA-N -1 3 343.162 2.770 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2cccs2)c(Cl)c1 ZINC000047543216 272981719 /nfs/dbraw/zinc/98/17/19/272981719.db2.gz FGHBXWNTBNSCQX-UHFFFAOYSA-N -1 3 346.817 2.831 20 5 EFBDHM CCC1(C[N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)CCC1 ZINC000187408971 265101716 /nfs/dbraw/zinc/10/17/16/265101716.db2.gz SIRQRGILLYFARQ-UHFFFAOYSA-N -1 3 346.380 2.601 20 5 EFBDHM O=C(Nc1nc(-c2cccs2)ns1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193879132 265351782 /nfs/dbraw/zinc/35/17/82/265351782.db2.gz KQIIXNQMJXBNIH-UHFFFAOYSA-N -1 3 349.353 2.528 20 5 EFBDHM Cc1cc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)ccc1[O-] ZINC000272420002 266259824 /nfs/dbraw/zinc/25/98/24/266259824.db2.gz BEOYDGKSYUNUJR-UHFFFAOYSA-N -1 3 341.367 2.571 20 5 EFBDHM C[C@H](CN(C)Cc1ccccc1)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272555619 266306543 /nfs/dbraw/zinc/30/65/43/266306543.db2.gz MTQPNCFOBCKWRY-CYBMUJFWSA-N -1 3 343.383 2.551 20 5 EFBDHM C[C@@H]1C[C@H]1c1cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)n[nH]1 ZINC000287411151 274414783 /nfs/dbraw/zinc/41/47/83/274414783.db2.gz QZKWWQCCNNXYLZ-VXNVDRBHSA-N -1 3 326.316 2.570 20 5 EFBDHM O=C(c1n[n-]c2ccc([N+](=O)[O-])cc21)N1CCOc2cc(F)ccc21 ZINC000118372008 275016024 /nfs/dbraw/zinc/01/60/24/275016024.db2.gz JHZDOBHDGJLIAT-UHFFFAOYSA-N -1 3 342.286 2.649 20 5 EFBDHM CCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nc2n(n1)CCCC2 ZINC000457161254 280063441 /nfs/dbraw/zinc/06/34/41/280063441.db2.gz VPKZMCXKKRAGPG-UHFFFAOYSA-N -1 3 347.400 2.887 20 5 EFBDHM O=C(Nc1cc(Cc2ccccc2)ccc1[O-])c1n[nH]cc1[N+](=O)[O-] ZINC000129045186 293122683 /nfs/dbraw/zinc/12/26/83/293122683.db2.gz ZCOWLHCYAOGUMM-UHFFFAOYSA-N -1 3 338.323 2.867 20 5 EFBDHM O=C(Nc1cccc([O-])c1F)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000129500613 293135528 /nfs/dbraw/zinc/13/55/28/293135528.db2.gz YWCJPCGGLOUEHZ-UHFFFAOYSA-N -1 3 342.286 2.878 20 5 EFBDHM CN(C)CCN(CC1CCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000132879441 293240346 /nfs/dbraw/zinc/24/03/46/293240346.db2.gz QYMDJDQQZLCPQJ-UHFFFAOYSA-N -1 3 349.431 2.885 20 5 EFBDHM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1cc(F)ccc1F ZINC000133398971 293256232 /nfs/dbraw/zinc/25/62/32/293256232.db2.gz QENMABTZUKAZOL-UHFFFAOYSA-N -1 3 342.323 2.857 20 5 EFBDHM CC(C)(NCC(=O)[N-]OCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000292077407 294572028 /nfs/dbraw/zinc/57/20/28/294572028.db2.gz FJANTIICBWLWBY-UHFFFAOYSA-N -1 3 343.383 2.668 20 5 EFBDHM O=C([N-]O[C@H]1CCCCO1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294368503 295155027 /nfs/dbraw/zinc/15/50/27/295155027.db2.gz BETWWISVFYCTLT-NSHDSACASA-N -1 3 334.250 2.802 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-]CCC(C)(C)C2CC2)c([N+](=O)[O-])c1 ZINC000339107051 295198329 /nfs/dbraw/zinc/19/83/29/295198329.db2.gz MRKWETMAJBFAGN-UHFFFAOYSA-N -1 3 342.417 2.708 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000071826205 295199456 /nfs/dbraw/zinc/19/94/56/295199456.db2.gz LFELAPOROTYPAU-DMDPSCGWSA-N -1 3 342.417 2.706 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000154283827 302050246 /nfs/dbraw/zinc/05/02/46/302050246.db2.gz LJYRCMIFETVKDO-KBMXLJTQSA-N -1 3 344.392 2.520 20 5 EFBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1ccc([O-])c(F)c1 ZINC000179361359 310786356 /nfs/dbraw/zinc/78/63/56/310786356.db2.gz OTRXTBWZMVLIOU-UHFFFAOYSA-N -1 3 343.314 2.780 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC(C(C)C)C(C)C ZINC000391072277 311952335 /nfs/dbraw/zinc/95/23/35/311952335.db2.gz LQKQHRPNUYZUMW-UHFFFAOYSA-N -1 3 344.433 2.810 20 5 EFBDHM CC[C@H](CCC(=O)[O-])NCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000417620688 312248618 /nfs/dbraw/zinc/24/86/18/312248618.db2.gz JIKICKDOSWNQAY-SNVBAGLBSA-N -1 3 332.303 2.929 20 5 EFBDHM O=C([O-])COCCNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000417626327 312249149 /nfs/dbraw/zinc/24/91/49/312249149.db2.gz RCADWBDJODBPQD-UHFFFAOYSA-N -1 3 336.369 2.514 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC2(F)F)c([N+](=O)[O-])c1 ZINC000451823601 312824329 /nfs/dbraw/zinc/82/43/29/312824329.db2.gz NVYGYNRVTAFNFH-JTQLQIEISA-N -1 3 334.344 2.617 20 5 EFBDHM CCCC[C@@H](COC)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000480991158 313286686 /nfs/dbraw/zinc/28/66/86/313286686.db2.gz LNDMEXFOWUDQSC-ZDUSSCGKSA-N -1 3 344.433 2.695 20 5 EFBDHM CCCC[C@H](COC)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000481020116 313286695 /nfs/dbraw/zinc/28/66/95/313286695.db2.gz HSEWUMSVJZWPKE-CYBMUJFWSA-N -1 3 344.433 2.695 20 5 EFBDHM O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])NCc1ccc([O-])c(F)c1 ZINC000492196937 313908382 /nfs/dbraw/zinc/90/83/82/313908382.db2.gz CPUKSBBGVGOHHV-UTCJRWHESA-N -1 3 334.278 2.908 20 5 EFBDHM O=[N+]([O-])c1cccc(CCc2nc(-c3ccc4n[n-]nc4c3)no2)c1 ZINC000514702936 315553861 /nfs/dbraw/zinc/55/38/61/315553861.db2.gz NFBKFDIAAJPPKZ-UHFFFAOYSA-N -1 3 336.311 2.701 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]CC2Cc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000522715165 316098766 /nfs/dbraw/zinc/09/87/66/316098766.db2.gz YJLJSEMMCHETHV-UHFFFAOYSA-N -1 3 346.408 2.597 20 5 EFBDHM COC(=O)c1[n-]cnc1NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000549695575 318180270 /nfs/dbraw/zinc/18/02/70/318180270.db2.gz ZSBQICUJXZCHOQ-UHFFFAOYSA-N -1 3 346.343 2.654 20 5 EFBDHM COC(=O)c1nc[n-]c1NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000549695575 318180272 /nfs/dbraw/zinc/18/02/72/318180272.db2.gz ZSBQICUJXZCHOQ-UHFFFAOYSA-N -1 3 346.343 2.654 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]CCCc2cccs2)c([N+](=O)[O-])c1 ZINC000556944650 318420216 /nfs/dbraw/zinc/42/02/16/318420216.db2.gz CXAVWDQKBRXXGE-UHFFFAOYSA-N -1 3 340.426 2.876 20 5 EFBDHM Cc1c(CN2CCC(n3cc(C(=O)[O-])cn3)CC2)cccc1[N+](=O)[O-] ZINC000566367324 319067577 /nfs/dbraw/zinc/06/75/77/319067577.db2.gz DFFJFDQWJIIWAY-UHFFFAOYSA-N -1 3 344.371 2.635 20 5 EFBDHM CC(C)(NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000567518553 319180023 /nfs/dbraw/zinc/18/00/23/319180023.db2.gz UJVJXFTVSCZRHD-UHFFFAOYSA-N -1 3 342.355 2.633 20 5 EFBDHM CC(C)(NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccccc1[N+](=O)[O-] ZINC000571701636 319599289 /nfs/dbraw/zinc/59/92/89/319599289.db2.gz ZPHPJGBMRGNKTM-UHFFFAOYSA-N -1 3 342.355 2.633 20 5 EFBDHM CN(C)[C@H](CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000576589130 320030709 /nfs/dbraw/zinc/03/07/09/320030709.db2.gz ZDVJGILJZSQHDZ-CQSZACIVSA-N -1 3 348.334 2.542 20 5 EFBDHM CCc1[nH]nc(C(=O)[N-]c2cccc3c(OC)ccnc23)c1[N+](=O)[O-] ZINC000577344609 320100601 /nfs/dbraw/zinc/10/06/01/320100601.db2.gz IGHPNIVJHATKTR-UHFFFAOYSA-N -1 3 341.327 2.689 20 5 EFBDHM CN(C)[C@@H](CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000577497379 320116455 /nfs/dbraw/zinc/11/64/55/320116455.db2.gz XKNGDIUXHVJFQG-AWEZNQCLSA-N -1 3 348.334 2.542 20 5 EFBDHM O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1cccc(F)c1F ZINC000577695213 320133849 /nfs/dbraw/zinc/13/38/49/320133849.db2.gz PPENPSATYDMMHQ-AWEZNQCLSA-N -1 3 336.294 2.659 20 5 EFBDHM COc1cc(CNc2nnc(-c3ccco3)o2)c([N+](=O)[O-])cc1[O-] ZINC000181481733 323236550 /nfs/dbraw/zinc/23/65/50/323236550.db2.gz PJLPLQOZFHWBMD-UHFFFAOYSA-N -1 3 332.272 2.564 20 5 EFBDHM CC[C@H](CSC)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000181616807 323241070 /nfs/dbraw/zinc/24/10/70/323241070.db2.gz PVRRXWLZZXMPJD-LLVKDONJSA-N -1 3 332.447 2.632 20 5 EFBDHM CC[C@@H](CSC)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000181617996 323241225 /nfs/dbraw/zinc/24/12/25/323241225.db2.gz WJPRQUOYPZNJHE-NSHDSACASA-N -1 3 332.447 2.632 20 5 EFBDHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)s1 ZINC000125142277 473362950 /nfs/dbraw/zinc/36/29/50/473362950.db2.gz GGWRCVOVBIMIIA-ZETCQYMHSA-N -1 3 347.443 2.769 20 5 EFBDHM CC[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000162661294 473367758 /nfs/dbraw/zinc/36/77/58/473367758.db2.gz LNHMFSGCAXCHEJ-SSDOTTSWSA-N -1 3 326.296 2.690 20 5 EFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](C)c1ccsc1 ZINC000619752175 479874305 /nfs/dbraw/zinc/87/43/05/479874305.db2.gz KVGOCAGORRDWEK-SECBINFHSA-N -1 3 342.398 2.704 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000337946106 475452752 /nfs/dbraw/zinc/45/27/52/475452752.db2.gz XFERACHUGYRHBT-UONOGXRCSA-N -1 3 332.381 2.738 20 5 EFBDHM Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c([O-])c1 ZINC000007802771 471639304 /nfs/dbraw/zinc/63/93/04/471639304.db2.gz GKRITXQSKLWKDQ-UHFFFAOYSA-N -1 3 341.367 2.571 20 5 EFBDHM COc1ccc(C(=O)[N-]c2nnc(-c3ccco3)s2)cc1[N+](=O)[O-] ZINC000053208365 471984016 /nfs/dbraw/zinc/98/40/16/471984016.db2.gz XCBCEIHGTASPNK-UHFFFAOYSA-N -1 3 346.324 2.967 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2F)cc1[N+](=O)[O-] ZINC000067124791 471994211 /nfs/dbraw/zinc/99/42/11/471994211.db2.gz ZCYSNTLOLHOGCR-UHFFFAOYSA-N -1 3 328.296 2.982 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCc3ccccc32)c(F)c1 ZINC000055243661 472156824 /nfs/dbraw/zinc/15/68/24/472156824.db2.gz NVSDONYVETWIOD-CQSZACIVSA-N -1 3 336.344 2.700 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1c(F)cccc1F ZINC000055555339 472203006 /nfs/dbraw/zinc/20/30/06/472203006.db2.gz KDKYTCPERYIFPO-UHFFFAOYSA-N -1 3 344.295 2.682 20 5 EFBDHM Cc1cc(S(=O)(=O)[N-]Cc2ccc([N+](=O)[O-])cc2)c(F)cc1F ZINC000084660449 472204599 /nfs/dbraw/zinc/20/45/99/472204599.db2.gz HPVQNWSLTQVQDT-UHFFFAOYSA-N -1 3 342.323 2.660 20 5 EFBDHM CC(=O)Nc1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000028026397 472210081 /nfs/dbraw/zinc/21/00/81/472210081.db2.gz KNRBYDALCQEHHE-UHFFFAOYSA-N -1 3 339.311 2.682 20 5 EFBDHM Cc1ccccc1CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000055973650 472266526 /nfs/dbraw/zinc/26/65/26/472266526.db2.gz YAWQOFXHZFMZLD-UHFFFAOYSA-N -1 3 338.360 2.563 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccsc2)c(Cl)c1 ZINC000056058059 472276157 /nfs/dbraw/zinc/27/61/57/472276157.db2.gz HPGAHLFLFSDLIA-UHFFFAOYSA-N -1 3 332.790 2.788 20 5 EFBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1ccccc1Cl ZINC000056088664 472280347 /nfs/dbraw/zinc/28/03/47/472280347.db2.gz VKUKRNLDDQPTTF-UHFFFAOYSA-N -1 3 326.761 2.727 20 5 EFBDHM C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000056108726 472283519 /nfs/dbraw/zinc/28/35/19/472283519.db2.gz QVDIWXLVVXPGQN-SECBINFHSA-N -1 3 342.323 2.913 20 5 EFBDHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccnc1 ZINC000029938780 472305585 /nfs/dbraw/zinc/30/55/85/472305585.db2.gz GVOLJNYEYMDTJQ-VIFPVBQESA-N -1 3 341.776 2.683 20 5 EFBDHM Cc1nn(CCC(=O)Nc2cc(Cl)ccc2[O-])c(C)c1[N+](=O)[O-] ZINC000069392822 472332757 /nfs/dbraw/zinc/33/27/57/472332757.db2.gz MWCHXGOMKYEINS-UHFFFAOYSA-N -1 3 338.751 2.796 20 5 EFBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(F)ccc1F ZINC000031555878 472383563 /nfs/dbraw/zinc/38/35/63/472383563.db2.gz YQKPOZDMNRDJDG-UHFFFAOYSA-N -1 3 328.296 2.982 20 5 EFBDHM O=[N+]([O-])c1cccc(CC[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000154322092 472418107 /nfs/dbraw/zinc/41/81/07/472418107.db2.gz APIVNPOOMPPYHE-UHFFFAOYSA-N -1 3 346.817 2.831 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)CCc1ccco1 ZINC000046034065 472498876 /nfs/dbraw/zinc/49/88/76/472498876.db2.gz VKLBJUGUGCGHDY-GFCCVEGCSA-N -1 3 338.385 2.796 20 5 EFBDHM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1cc(F)ccc1F ZINC000071799257 472567397 /nfs/dbraw/zinc/56/73/97/472567397.db2.gz JVFCSYSJAMAPGT-UHFFFAOYSA-N -1 3 345.265 2.910 20 5 EFBDHM O=C(COc1cccc([N+](=O)[O-])c1)N1CCCc2cccc([O-])c21 ZINC000155581153 472574104 /nfs/dbraw/zinc/57/41/04/472574104.db2.gz UBVTZRMTGJURGH-UHFFFAOYSA-N -1 3 328.324 2.659 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000157398464 472816962 /nfs/dbraw/zinc/81/69/62/472816962.db2.gz ZMLUYDYYBJWTHR-XOKHGSTOSA-N -1 3 344.392 2.602 20 5 EFBDHM Cc1cc(C(=O)[N-]c2ccc(Br)c([N+](=O)[O-])c2)on1 ZINC000091963484 472833816 /nfs/dbraw/zinc/83/38/16/472833816.db2.gz JASWURSGLDVGFU-UHFFFAOYSA-N -1 3 326.106 2.906 20 5 EFBDHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000065044862 472894883 /nfs/dbraw/zinc/89/48/83/472894883.db2.gz YYJGJHAOFIOZOE-UHFFFAOYSA-N -1 3 338.283 2.707 20 5 EFBDHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000065044862 472894888 /nfs/dbraw/zinc/89/48/88/472894888.db2.gz YYJGJHAOFIOZOE-UHFFFAOYSA-N -1 3 338.283 2.707 20 5 EFBDHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000065044862 472894894 /nfs/dbraw/zinc/89/48/94/472894894.db2.gz YYJGJHAOFIOZOE-UHFFFAOYSA-N -1 3 338.283 2.707 20 5 EFBDHM COc1ccc(F)cc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000092470422 472919170 /nfs/dbraw/zinc/91/91/70/472919170.db2.gz UNUYIJMPLJNHFZ-UHFFFAOYSA-N -1 3 330.275 2.871 20 5 EFBDHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134790699 472966627 /nfs/dbraw/zinc/96/66/27/472966627.db2.gz WXAKJNOVJDJFGD-UHFFFAOYSA-N -1 3 333.691 2.879 20 5 EFBDHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134790699 472966633 /nfs/dbraw/zinc/96/66/33/472966633.db2.gz WXAKJNOVJDJFGD-UHFFFAOYSA-N -1 3 333.691 2.879 20 5 EFBDHM COCCn1nc(C)c([N-]c2ncc([N+](=O)[O-])cc2Cl)c1C ZINC000080249202 473002868 /nfs/dbraw/zinc/00/28/68/473002868.db2.gz GMWCYLLRLDWLAH-UHFFFAOYSA-N -1 3 325.756 2.847 20 5 EFBDHM CCc1ccc([O-])c(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000074827833 473073272 /nfs/dbraw/zinc/07/32/72/473073272.db2.gz PSYOLUYIUIZPCQ-UHFFFAOYSA-N -1 3 326.312 2.991 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000160180793 473093678 /nfs/dbraw/zinc/09/36/78/473093678.db2.gz MBKLDWJJVUYCNB-LLVKDONJSA-N -1 3 336.369 2.648 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000160180669 473094233 /nfs/dbraw/zinc/09/42/33/473094233.db2.gz MBKLDWJJVUYCNB-NSHDSACASA-N -1 3 336.369 2.648 20 5 EFBDHM CCCc1[nH]nc(C(=O)[N-]c2cc(NC(C)=O)ccc2F)c1[N+](=O)[O-] ZINC000110049257 473140985 /nfs/dbraw/zinc/14/09/85/473140985.db2.gz DFGPPZZJYMOBGW-UHFFFAOYSA-N -1 3 349.322 2.620 20 5 EFBDHM Cn1cnc2cc(NC(=O)c3n[n-]c4ccc([N+](=O)[O-])cc43)ccc21 ZINC000075327245 473167784 /nfs/dbraw/zinc/16/77/84/473167784.db2.gz USFKBZALYIIEKY-UHFFFAOYSA-N -1 3 336.311 2.610 20 5 EFBDHM CCc1cc([N-]C(=O)c2cc(OC)no2)c2cc([N+](=O)[O-])ccc2n1 ZINC000160866515 473185120 /nfs/dbraw/zinc/18/51/20/473185120.db2.gz AKTFUISECKJBNQ-UHFFFAOYSA-N -1 3 342.311 2.954 20 5 EFBDHM O=C([N-]c1n[nH]c(-c2ccccc2F)n1)c1ccccc1[N+](=O)[O-] ZINC000113428922 473394146 /nfs/dbraw/zinc/39/41/46/473394146.db2.gz VPHBHPHIYXTQIY-UHFFFAOYSA-N -1 3 327.275 2.771 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-]C[C@@]2(C)CCCS2)cc1[N+](=O)[O-] ZINC000125454288 473412014 /nfs/dbraw/zinc/41/20/14/473412014.db2.gz VPQNVHNFJVRRTC-LLVKDONJSA-N -1 3 336.460 2.529 20 5 EFBDHM Cc1noc(C)c1[C@@H](C)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000113946851 473425557 /nfs/dbraw/zinc/42/55/57/473425557.db2.gz BVYMAOAREILPCW-SNVBAGLBSA-N -1 3 339.373 2.548 20 5 EFBDHM COC(=O)c1ccnc(-c2nc3cc4ccccc4cc3c(=O)[n-]2)c1 ZINC000151353434 473446755 /nfs/dbraw/zinc/44/67/55/473446755.db2.gz PCEDURJZPDZEBJ-UHFFFAOYSA-N -1 3 331.331 2.925 20 5 EFBDHM NC(=O)c1ccc(F)c([N-]C(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000171847561 473468697 /nfs/dbraw/zinc/46/86/97/473468697.db2.gz OPPXAASXMGKORP-UHFFFAOYSA-N -1 3 337.694 2.739 20 5 EFBDHM Cc1cccnc1[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000185804052 473518233 /nfs/dbraw/zinc/51/82/33/473518233.db2.gz CZXOBLQUPGIBQV-OAHLLOKOSA-N -1 3 349.412 2.974 20 5 EFBDHM COc1ccc(N(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1Cl ZINC000185836688 473526427 /nfs/dbraw/zinc/52/64/27/473526427.db2.gz AZPTWBJZSHOSIV-UHFFFAOYSA-N -1 3 337.719 2.634 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3cc([O-])cc(F)c3)C2)nc1 ZINC000186234990 473624663 /nfs/dbraw/zinc/62/46/63/473624663.db2.gz PNZWFCUMHQJLIR-ZDUSSCGKSA-N -1 3 332.335 2.521 20 5 EFBDHM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nc2ccc(Cl)cn2n1 ZINC000179281574 473669180 /nfs/dbraw/zinc/66/91/80/473669180.db2.gz NUSBZKXQZFCXEK-UHFFFAOYSA-N -1 3 347.718 2.552 20 5 EFBDHM C[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@@H](c1ccccc1)N(C)C ZINC000186480476 473680524 /nfs/dbraw/zinc/68/05/24/473680524.db2.gz HZZWMOLTSCZZJE-SJCJKPOMSA-N -1 3 343.383 2.722 20 5 EFBDHM Cc1ccc(-c2[nH]nc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)c2C)o1 ZINC000192483418 473684613 /nfs/dbraw/zinc/68/46/13/473684613.db2.gz IIXFLOKZJGSSMI-UHFFFAOYSA-N -1 3 343.299 2.548 20 5 EFBDHM CCN(CC)[C@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccco1 ZINC000269179885 473721915 /nfs/dbraw/zinc/72/19/15/473721915.db2.gz KVJIIOILVJZJIY-OAHLLOKOSA-N -1 3 347.371 2.706 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)[N-]c2sccc2S(C)(=O)=O)c1 ZINC000173062575 473737665 /nfs/dbraw/zinc/73/76/65/473737665.db2.gz UACGWWWKDADXKZ-UHFFFAOYSA-N -1 3 340.382 2.621 20 5 EFBDHM Cn1nc(-c2cccs2)nc1[N-]C(=O)c1csc([N+](=O)[O-])c1 ZINC000193236830 473776688 /nfs/dbraw/zinc/77/66/88/473776688.db2.gz GQRLKNQLDFNOEK-UHFFFAOYSA-N -1 3 335.370 2.766 20 5 EFBDHM COc1cc(F)c([N-]C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cc1F ZINC000269443144 473811411 /nfs/dbraw/zinc/81/14/11/473811411.db2.gz FAFXKZRRHZFAST-UHFFFAOYSA-N -1 3 340.286 2.980 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C1CC1)C(F)(F)F ZINC000288240086 473883059 /nfs/dbraw/zinc/88/30/59/473883059.db2.gz AMKAAGITGWIDGL-LLVKDONJSA-N -1 3 338.307 2.522 20 5 EFBDHM O=C([N-]c1n[nH]c(Cc2cccc(F)c2)n1)c1ccccc1[N+](=O)[O-] ZINC000180891243 473981788 /nfs/dbraw/zinc/98/17/88/473981788.db2.gz DSNIZAHRJBRDEY-UHFFFAOYSA-N -1 3 341.302 2.695 20 5 EFBDHM CN(C)CCN(CC1CCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181917041 474069829 /nfs/dbraw/zinc/06/98/29/474069829.db2.gz SIBWRAJJPYPIRN-UHFFFAOYSA-N -1 3 349.431 2.885 20 5 EFBDHM CCOC[C@@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(C)C ZINC000188396584 474082377 /nfs/dbraw/zinc/08/23/77/474082377.db2.gz WDLBVYOUXLEVSD-CYBMUJFWSA-N -1 3 344.433 2.551 20 5 EFBDHM O=C(c1cccc2[n-]nnc21)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000188668753 474159946 /nfs/dbraw/zinc/15/99/46/474159946.db2.gz FSGRHHXYGAIKSQ-UHFFFAOYSA-N -1 3 337.339 2.671 20 5 EFBDHM O=C(c1cccc2nn[n-]c21)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000188668753 474159953 /nfs/dbraw/zinc/15/99/53/474159953.db2.gz FSGRHHXYGAIKSQ-UHFFFAOYSA-N -1 3 337.339 2.671 20 5 EFBDHM O=C(c1cccc2n[n-]nc21)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000188668753 474159963 /nfs/dbraw/zinc/15/99/63/474159963.db2.gz FSGRHHXYGAIKSQ-UHFFFAOYSA-N -1 3 337.339 2.671 20 5 EFBDHM CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000175280178 474178725 /nfs/dbraw/zinc/17/87/25/474178725.db2.gz QDZZDWBDOOZUGM-PWSUYJOCSA-N -1 3 330.431 2.547 20 5 EFBDHM C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000182642735 474223841 /nfs/dbraw/zinc/22/38/41/474223841.db2.gz SYRRLKPXHWSREA-ZDUSSCGKSA-N -1 3 343.383 2.551 20 5 EFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000189790051 474483714 /nfs/dbraw/zinc/48/37/14/474483714.db2.gz UFQMXIBIDVIPDZ-UHFFFAOYSA-N -1 3 338.360 2.829 20 5 EFBDHM Cn1ncc([N+](=O)[O-])c1[N-]C(=O)c1cnc(-c2ccccc2)s1 ZINC000184401323 474509101 /nfs/dbraw/zinc/50/91/01/474509101.db2.gz WANRXOPSYUEZNB-UHFFFAOYSA-N -1 3 329.341 2.704 20 5 EFBDHM Cc1ccc(-c2nc(C(=O)[N-]c3c([N+](=O)[O-])cnn3C)cs2)o1 ZINC000184405220 474510045 /nfs/dbraw/zinc/51/00/45/474510045.db2.gz AJENTWGONXJJDM-UHFFFAOYSA-N -1 3 333.329 2.606 20 5 EFBDHM COCc1nc(Sc2ccc([N+](=O)[O-])c(OC(F)F)c2)n[n-]1 ZINC000271415738 474537578 /nfs/dbraw/zinc/53/75/78/474537578.db2.gz UHOWCQGRLWJXHF-UHFFFAOYSA-N -1 3 332.288 2.612 20 5 EFBDHM Cc1nc(C)c(S(=O)(=O)[N-][C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000176839247 474538611 /nfs/dbraw/zinc/53/86/11/474538611.db2.gz DONRCMMKUYTWJV-MRVPVSSYSA-N -1 3 341.414 2.708 20 5 EFBDHM Nc1ccc2c(c1)CCC[C@@H]2[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000184711884 474591844 /nfs/dbraw/zinc/59/18/44/474591844.db2.gz HMSRBWPBEBPMQR-AWEZNQCLSA-N -1 3 347.396 2.533 20 5 EFBDHM C[C@H]([N-]S(=O)(=O)c1sccc1F)c1cccc([N+](=O)[O-])c1 ZINC000338867521 474683308 /nfs/dbraw/zinc/68/33/08/474683308.db2.gz VFARNWUIRCEQQW-QMMMGPOBSA-N -1 3 330.362 2.835 20 5 EFBDHM COC(=O)c1cc([N-]C(=O)c2nc(C)oc2C)c(C)c([N+](=O)[O-])c1 ZINC000292961950 474737091 /nfs/dbraw/zinc/73/70/91/474737091.db2.gz HRFDAHVXCMLWCG-UHFFFAOYSA-N -1 3 333.300 2.547 20 5 EFBDHM COC(=O)c1c(C)nc(=O)[n-]c1SCCc1ccc([N+](=O)[O-])cc1 ZINC000340922936 474780572 /nfs/dbraw/zinc/78/05/72/474780572.db2.gz BOEIECGJJJNLEQ-UHFFFAOYSA-N -1 3 349.368 2.520 20 5 EFBDHM CC(C)COc1cccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000340980953 474844304 /nfs/dbraw/zinc/84/43/04/474844304.db2.gz HSWVLJUOGAWAPE-UHFFFAOYSA-N -1 3 331.328 2.983 20 5 EFBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)C(C)(C)C ZINC000609234460 480129318 /nfs/dbraw/zinc/12/93/18/480129318.db2.gz XSGRUEGWUADIGU-CYBMUJFWSA-N -1 3 330.406 2.706 20 5 EFBDHM Cc1cccc(S(=O)(=O)[N-]Cc2cccc([N+](=O)[O-])c2C)c1F ZINC000313232605 474856336 /nfs/dbraw/zinc/85/63/36/474856336.db2.gz YTODIEIWUOAWMO-UHFFFAOYSA-N -1 3 338.360 2.829 20 5 EFBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1cnc(-c2ncccn2)s1 ZINC000339186117 475018123 /nfs/dbraw/zinc/01/81/23/475018123.db2.gz OTHBUKLEVRWOGB-UHFFFAOYSA-N -1 3 345.315 2.900 20 5 EFBDHM Cc1c(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)nnn1-c1ccccc1 ZINC000339193268 475023489 /nfs/dbraw/zinc/02/34/89/475023489.db2.gz DXRSPTCJHJLFTQ-UHFFFAOYSA-N -1 3 341.302 2.875 20 5 EFBDHM O=C(Nc1cccc(Br)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000341630138 475194855 /nfs/dbraw/zinc/19/48/55/475194855.db2.gz AHTPTXFGTSWPMZ-UHFFFAOYSA-N -1 3 338.117 2.710 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]CCCSCC(C)C)c([N+](=O)[O-])c1 ZINC000339451453 475223894 /nfs/dbraw/zinc/22/38/94/475223894.db2.gz QMXIRSKORGKMTO-UHFFFAOYSA-N -1 3 346.474 2.961 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCC1Cc2ccccc2C1 ZINC000339451072 475223952 /nfs/dbraw/zinc/22/39/52/475223952.db2.gz BSUHQGQPLOWCHT-UHFFFAOYSA-N -1 3 346.408 2.678 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCSCC(C)C)cc1C ZINC000339454838 475224986 /nfs/dbraw/zinc/22/49/86/475224986.db2.gz GBIJTBCMKNKYNW-UHFFFAOYSA-N -1 3 346.474 2.879 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CC(=O)c3ccccc32)c([N+](=O)[O-])c1 ZINC000354612567 475290575 /nfs/dbraw/zinc/29/05/75/475290575.db2.gz GXKDQRCDPKRPIQ-CYBMUJFWSA-N -1 3 346.364 2.509 20 5 EFBDHM Cc1ccc2c(Cn3cc([N+](=O)[O-])cc(C)c3=O)ccc([O-])c2n1 ZINC000337755580 475298805 /nfs/dbraw/zinc/29/88/05/475298805.db2.gz LMCYWCOJAZWWID-UHFFFAOYSA-N -1 3 325.324 2.675 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCC2)cc1[N+](=O)[O-] ZINC000354635577 475305608 /nfs/dbraw/zinc/30/56/08/475305608.db2.gz JHCGPGLVDCTMEV-UHFFFAOYSA-N -1 3 338.307 2.667 20 5 EFBDHM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000354678724 475333178 /nfs/dbraw/zinc/33/31/78/475333178.db2.gz PZRPCOXZUNCWRI-VIFPVBQESA-N -1 3 340.323 2.913 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1C[C@@H](C)C[C@H](C)C1 ZINC000352472874 475327979 /nfs/dbraw/zinc/32/79/79/475327979.db2.gz LMNGMGRSUSSFPE-QWRGUYRKSA-N -1 3 342.417 2.706 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H]1CCCC[C@@H]1C ZINC000354771007 475396733 /nfs/dbraw/zinc/39/67/33/475396733.db2.gz OIEDZVRITKYFNO-RYUDHWBXSA-N -1 3 342.417 2.708 20 5 EFBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1ccnc(C2CC2)c1 ZINC000341912780 475407462 /nfs/dbraw/zinc/40/74/62/475407462.db2.gz AETHGENGZNSCIA-UHFFFAOYSA-N -1 3 349.350 2.932 20 5 EFBDHM COCC[C@@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(C)(C)C ZINC000337959124 475461859 /nfs/dbraw/zinc/46/18/59/475461859.db2.gz GUUKPNPTFJKQDS-CYBMUJFWSA-N -1 3 344.433 2.633 20 5 EFBDHM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1coc(C2CCOCC2)n1 ZINC000337963990 475466297 /nfs/dbraw/zinc/46/62/97/475466297.db2.gz NXZVWFJWTTUKLU-UHFFFAOYSA-N -1 3 347.327 2.738 20 5 EFBDHM Cc1cc2c[nH]nc2cc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000354893346 475499006 /nfs/dbraw/zinc/49/90/06/475499006.db2.gz YOJQZHPZFIKGED-UHFFFAOYSA-N -1 3 336.311 2.908 20 5 EFBDHM CC(F)(F)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000296942936 475544140 /nfs/dbraw/zinc/54/41/40/475544140.db2.gz GUUALCXCZJVAGJ-UHFFFAOYSA-N -1 3 328.724 2.572 20 5 EFBDHM COc1cc(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)ccc1[N+](=O)[O-] ZINC000338084251 475574930 /nfs/dbraw/zinc/57/49/30/475574930.db2.gz KDLFJQSFEMNUPL-UHFFFAOYSA-N -1 3 338.323 2.668 20 5 EFBDHM C[C@H]1CC=CC[C@H]1C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000352798563 475636723 /nfs/dbraw/zinc/63/67/23/475636723.db2.gz UUJSXONHXOXUQA-SMDDNHRTSA-N -1 3 326.356 2.948 20 5 EFBDHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000342903106 475652430 /nfs/dbraw/zinc/65/24/30/475652430.db2.gz LFNXCCHBRGDFMZ-UHFFFAOYSA-N -1 3 338.283 2.707 20 5 EFBDHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000342903106 475652437 /nfs/dbraw/zinc/65/24/37/475652437.db2.gz LFNXCCHBRGDFMZ-UHFFFAOYSA-N -1 3 338.283 2.707 20 5 EFBDHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000342903106 475652441 /nfs/dbraw/zinc/65/24/41/475652441.db2.gz LFNXCCHBRGDFMZ-UHFFFAOYSA-N -1 3 338.283 2.707 20 5 EFBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)[C@@H]1CC12CCCC2 ZINC000355149083 475701622 /nfs/dbraw/zinc/70/16/22/475701622.db2.gz FYROVWYRKUYILQ-ZDUSSCGKSA-N -1 3 326.356 2.926 20 5 EFBDHM CC(=O)c1cc(NCc2nnc(C(F)(F)F)[n-]2)ccc1[N+](=O)[O-] ZINC000343037364 475712588 /nfs/dbraw/zinc/71/25/88/475712588.db2.gz IZIFZUIQKJJIMH-UHFFFAOYSA-N -1 3 329.238 2.546 20 5 EFBDHM CC(=O)c1cc(NCc2n[n-]c(C(F)(F)F)n2)ccc1[N+](=O)[O-] ZINC000343037364 475712596 /nfs/dbraw/zinc/71/25/96/475712596.db2.gz IZIFZUIQKJJIMH-UHFFFAOYSA-N -1 3 329.238 2.546 20 5 EFBDHM CC(=O)c1cc(NCc2nc(C(F)(F)F)n[n-]2)ccc1[N+](=O)[O-] ZINC000343037364 475712607 /nfs/dbraw/zinc/71/26/07/475712607.db2.gz IZIFZUIQKJJIMH-UHFFFAOYSA-N -1 3 329.238 2.546 20 5 EFBDHM O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccccc1[O-] ZINC000340102056 475760679 /nfs/dbraw/zinc/76/06/79/475760679.db2.gz JYYSDWADMMDBIT-UHFFFAOYSA-N -1 3 339.307 2.866 20 5 EFBDHM O=[N+]([O-])c1ccn(C2CCN(Cc3c(F)ccc([O-])c3F)CC2)n1 ZINC000353230736 475788822 /nfs/dbraw/zinc/78/88/22/475788822.db2.gz IEIMKRTYECIIJZ-UHFFFAOYSA-N -1 3 338.314 2.612 20 5 EFBDHM Cc1ccsc1CC[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000358597437 475797518 /nfs/dbraw/zinc/79/75/18/475797518.db2.gz HHNIJJDAVXOZGA-UHFFFAOYSA-N -1 3 340.426 2.794 20 5 EFBDHM COc1ccc2nc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)sc2c1 ZINC000361919871 475866666 /nfs/dbraw/zinc/86/66/66/475866666.db2.gz VIEQUCMPVOEVMZ-UHFFFAOYSA-N -1 3 346.324 2.566 20 5 EFBDHM CCc1oc(C(=O)[N-]c2ccc(OC)cc2[N+](=O)[O-])cc1C(=O)OC ZINC000338404209 475869123 /nfs/dbraw/zinc/86/91/23/475869123.db2.gz HSINALDTENPWKD-UHFFFAOYSA-N -1 3 348.311 2.798 20 5 EFBDHM CCc1oc(C(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)cc1C(=O)OC ZINC000338466139 475932783 /nfs/dbraw/zinc/93/27/83/475932783.db2.gz RDZFQAGCSAANOI-UHFFFAOYSA-N -1 3 336.275 2.928 20 5 EFBDHM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2ncc(C(C)=O)s2)c1 ZINC000338522969 475979290 /nfs/dbraw/zinc/97/92/90/475979290.db2.gz HVSGVHWLPPOSLX-UHFFFAOYSA-N -1 3 335.341 2.905 20 5 EFBDHM Cc1ccc(-c2nnc(NC(=O)c3cc(C)ccc3[N+](=O)[O-])[n-]2)o1 ZINC000353504060 476026980 /nfs/dbraw/zinc/02/69/80/476026980.db2.gz IDWGQMNYAJZOOV-UHFFFAOYSA-N -1 3 327.300 2.842 20 5 EFBDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cc(C)ccc3[N+](=O)[O-])n2)o1 ZINC000353504060 476026989 /nfs/dbraw/zinc/02/69/89/476026989.db2.gz IDWGQMNYAJZOOV-UHFFFAOYSA-N -1 3 327.300 2.842 20 5 EFBDHM Cc1ccccc1C1(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000338714184 476128041 /nfs/dbraw/zinc/12/80/41/476128041.db2.gz SGJVFOAVEHFAQS-UHFFFAOYSA-N -1 3 346.408 2.913 20 5 EFBDHM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nc2cc(Cl)ccn2n1 ZINC000362295836 476149377 /nfs/dbraw/zinc/14/93/77/476149377.db2.gz AXOSYTPLHYROIA-UHFFFAOYSA-N -1 3 347.718 2.552 20 5 EFBDHM COC(=O)c1ccc(-c2nc(Cc3cccc([N+](=O)[O-])c3C)no2)[n-]1 ZINC000350508814 476219352 /nfs/dbraw/zinc/21/93/52/476219352.db2.gz JEKSGMXFXZJVCN-UHFFFAOYSA-N -1 3 342.311 2.659 20 5 EFBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1cnc2c(c1)CCCC2 ZINC000353779872 476267777 /nfs/dbraw/zinc/26/77/77/476267777.db2.gz KZMATXKGKMTPRC-UHFFFAOYSA-N -1 3 347.396 2.811 20 5 EFBDHM COCc1nocc1C(=O)[N-]c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000362570736 476312557 /nfs/dbraw/zinc/31/25/57/476312557.db2.gz SVEANNBPGMSYAI-UHFFFAOYSA-N -1 3 343.242 2.583 20 5 EFBDHM Cc1nc([N+](=O)[O-])c(-c2noc(Cc3ccc([O-])cc3Cl)n2)n1C ZINC000350931797 476315479 /nfs/dbraw/zinc/31/54/79/476315479.db2.gz XTCMFVOOLOCKNE-UHFFFAOYSA-N -1 3 349.734 2.637 20 5 EFBDHM O=[N+]([O-])c1ccc(Cc2noc(-c3cc(-c4ccco4)[n-]n3)n2)nc1 ZINC000357335939 476336458 /nfs/dbraw/zinc/33/64/58/476336458.db2.gz YSYGDDVHRNFXBZ-UHFFFAOYSA-N -1 3 338.283 2.614 20 5 EFBDHM O=[N+]([O-])c1ccc(Cc2noc(-c3cc(-c4ccco4)n[n-]3)n2)nc1 ZINC000357335939 476336459 /nfs/dbraw/zinc/33/64/59/476336459.db2.gz YSYGDDVHRNFXBZ-UHFFFAOYSA-N -1 3 338.283 2.614 20 5 EFBDHM Cc1[nH]nc(C(=O)[N-]c2nc3c(ccc(F)c3C)s2)c1[N+](=O)[O-] ZINC000362689454 476351803 /nfs/dbraw/zinc/35/18/03/476351803.db2.gz DMSZFNZXEHXBPK-UHFFFAOYSA-N -1 3 335.320 2.936 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1cc2ccccc2[nH]1 ZINC000354129873 476448246 /nfs/dbraw/zinc/44/82/46/476448246.db2.gz SSPAKEYERAERRS-UHFFFAOYSA-N -1 3 331.353 2.555 20 5 EFBDHM CC[C@H](C)C[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000360878335 476448742 /nfs/dbraw/zinc/44/87/42/476448742.db2.gz OWFFGMNZTPBKHU-QWRGUYRKSA-N -1 3 330.406 2.706 20 5 EFBDHM CC[C@H](C)C[C@@H](C)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000360886562 476455423 /nfs/dbraw/zinc/45/54/23/476455423.db2.gz RGJLZUDBQUHJOL-WDEREUQCSA-N -1 3 330.406 2.706 20 5 EFBDHM O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1c[n-]nc1-c1ccccc1 ZINC000354522476 476706174 /nfs/dbraw/zinc/70/61/74/476706174.db2.gz RHGXLXCUMIHKNX-UHFFFAOYSA-N -1 3 348.322 2.535 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCC(F)(F)C2)c1C ZINC000429909630 476714282 /nfs/dbraw/zinc/71/42/82/476714282.db2.gz KQMLSMZBSXGUBN-LLVKDONJSA-N -1 3 348.371 2.925 20 5 EFBDHM CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000445704411 476761072 /nfs/dbraw/zinc/76/10/72/476761072.db2.gz IRCMMQZDGLTFTA-NSHDSACASA-N -1 3 340.323 2.850 20 5 EFBDHM C[C@@H](CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000390530274 476795634 /nfs/dbraw/zinc/79/56/34/476795634.db2.gz IFMWTCWPTZLIHM-LBPRGKRZSA-N -1 3 344.371 2.620 20 5 EFBDHM O=[N+]([O-])c1cccc2c(NCc3nnc(C(F)(F)F)[n-]3)ccnc21 ZINC000432164015 477170884 /nfs/dbraw/zinc/17/08/84/477170884.db2.gz CJCKRCTUNQDXSV-UHFFFAOYSA-N -1 3 338.249 2.892 20 5 EFBDHM O=[N+]([O-])c1cccc2c(NCc3n[n-]c(C(F)(F)F)n3)ccnc21 ZINC000432164015 477170889 /nfs/dbraw/zinc/17/08/89/477170889.db2.gz CJCKRCTUNQDXSV-UHFFFAOYSA-N -1 3 338.249 2.892 20 5 EFBDHM O=[N+]([O-])c1cccc2c(NCc3nc(C(F)(F)F)n[n-]3)ccnc21 ZINC000432164015 477170893 /nfs/dbraw/zinc/17/08/93/477170893.db2.gz CJCKRCTUNQDXSV-UHFFFAOYSA-N -1 3 338.249 2.892 20 5 EFBDHM CC(C)=CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416472584 477183351 /nfs/dbraw/zinc/18/33/51/477183351.db2.gz UGMZGLTURZWBID-UHFFFAOYSA-N -1 3 338.307 2.858 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]CCC2CC(F)(F)C2)c([N+](=O)[O-])c1 ZINC000416501190 477189588 /nfs/dbraw/zinc/18/95/88/477189588.db2.gz JZDXICHRHPFWAN-UHFFFAOYSA-N -1 3 334.344 2.617 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](C2CC2)C2CCC2)c(F)c1 ZINC000416511390 477196078 /nfs/dbraw/zinc/19/60/78/477196078.db2.gz LUHVOLOELQYWBL-CQSZACIVSA-N -1 3 328.365 2.591 20 5 EFBDHM C[C@H](CCCc1cccnc1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000416538839 477208463 /nfs/dbraw/zinc/20/84/63/477208463.db2.gz RGHPSPWZSSJLQR-CYBMUJFWSA-N -1 3 349.412 2.680 20 5 EFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000416557217 477216361 /nfs/dbraw/zinc/21/63/61/477216361.db2.gz KCPBIQMIBPRLJO-MIMYLULJSA-N -1 3 330.793 2.715 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C(C)(C)COC(C)C)c1C ZINC000416622324 477240101 /nfs/dbraw/zinc/24/01/01/477240101.db2.gz JQMVVNWYMLLFLC-UHFFFAOYSA-N -1 3 344.433 2.694 20 5 EFBDHM O=C([N-][C@@H]1COc2ccccc2C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000371524882 477371046 /nfs/dbraw/zinc/37/10/46/477371046.db2.gz KFIGNBDZZMUJQU-ZDUSSCGKSA-N -1 3 348.305 2.807 20 5 EFBDHM COc1ccc(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c([O-])c1 ZINC000436632581 477539102 /nfs/dbraw/zinc/53/91/02/477539102.db2.gz WXUDBPRVILZJEL-UHFFFAOYSA-N -1 3 330.340 2.624 20 5 EFBDHM C[C@H](CN(C)Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436770456 477584984 /nfs/dbraw/zinc/58/49/84/477584984.db2.gz MLVXZJUWZKRAOE-CYBMUJFWSA-N -1 3 343.383 2.551 20 5 EFBDHM C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])N(C)Cc1ccccc1 ZINC000436969989 477652989 /nfs/dbraw/zinc/65/29/89/477652989.db2.gz BNBTXJLSHSQRMN-ZDUSSCGKSA-N -1 3 343.383 2.551 20 5 EFBDHM O=C([O-])CC1(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)CCC1 ZINC000426654179 477733758 /nfs/dbraw/zinc/73/37/58/477733758.db2.gz IXPZVSIJLWXOBJ-UHFFFAOYSA-N -1 3 344.314 2.931 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1cc(-c2ccccc2)on1 ZINC000427869076 477784302 /nfs/dbraw/zinc/78/43/02/477784302.db2.gz FSNWMATWEHAWQV-UHFFFAOYSA-N -1 3 339.307 2.933 20 5 EFBDHM COc1ccc(N(CC2CC2)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000456184868 477811874 /nfs/dbraw/zinc/81/18/74/477811874.db2.gz WRQYFTQULBCKSA-UHFFFAOYSA-N -1 3 343.339 2.761 20 5 EFBDHM O=c1cc(CN2CCc3ccc([N+](=O)[O-])cc3C2)nc(C2CC2)[n-]1 ZINC000459344444 477856538 /nfs/dbraw/zinc/85/65/38/477856538.db2.gz NMFTWNCMXLHEKP-UHFFFAOYSA-N -1 3 326.356 2.526 20 5 EFBDHM CN(C)CCc1ccccc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000438573144 477866198 /nfs/dbraw/zinc/86/61/98/477866198.db2.gz IGUDQAUQJRPTQM-UHFFFAOYSA-N -1 3 329.356 2.657 20 5 EFBDHM CC(C)(NC(=O)N=c1cc2ccccn2[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000558478829 477876003 /nfs/dbraw/zinc/87/60/03/477876003.db2.gz RNTWNELXHRBJFZ-UHFFFAOYSA-N -1 3 339.355 2.721 20 5 EFBDHM C[C@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000494296010 477961349 /nfs/dbraw/zinc/96/13/49/477961349.db2.gz PVZFJVFQNFCWPO-SECBINFHSA-N -1 3 340.323 2.994 20 5 EFBDHM COC(=O)c1csc([N-]C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c1 ZINC000532903836 478004603 /nfs/dbraw/zinc/00/46/03/478004603.db2.gz SYICOCRWRLUTAR-UHFFFAOYSA-N -1 3 338.345 2.542 20 5 EFBDHM O=[N+]([O-])c1ccc(OC2CN(Cc3c(F)ccc([O-])c3F)C2)cc1 ZINC000459620407 478013986 /nfs/dbraw/zinc/01/39/86/478013986.db2.gz KJECNDJYJHEMPP-UHFFFAOYSA-N -1 3 336.294 2.842 20 5 EFBDHM CC(C)C1(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000440411966 478114327 /nfs/dbraw/zinc/11/43/27/478114327.db2.gz FWAAJLBUAOQGJR-UHFFFAOYSA-N -1 3 332.809 2.963 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]CC(C)(C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000451670404 478150859 /nfs/dbraw/zinc/15/08/59/478150859.db2.gz JKYXTXPXDFORDI-UHFFFAOYSA-N -1 3 349.412 2.554 20 5 EFBDHM CC/C=C\C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000451773038 478198337 /nfs/dbraw/zinc/19/83/37/478198337.db2.gz LDKHAMXJDXMKRV-ARJAWSKDSA-N -1 3 349.206 2.602 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCCC2(F)F)c1C ZINC000451819868 478216127 /nfs/dbraw/zinc/21/61/27/478216127.db2.gz BXSILPHJMMQEDC-LLVKDONJSA-N -1 3 348.371 2.925 20 5 EFBDHM COc1ccc(CN(C)C)cc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000535757704 478227982 /nfs/dbraw/zinc/22/79/82/478227982.db2.gz VYJADPNTQWEEJQ-UHFFFAOYSA-N -1 3 345.355 2.623 20 5 EFBDHM COc1ccc([N+](=O)[O-])cc1CN(CCc1ccccc1)CC(=O)[O-] ZINC000579484879 478309671 /nfs/dbraw/zinc/30/96/71/478309671.db2.gz XBYRMZUHSZFKFA-UHFFFAOYSA-N -1 3 344.367 2.733 20 5 EFBDHM CCC1([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)CCCC1 ZINC000590759485 478324242 /nfs/dbraw/zinc/32/42/42/478324242.db2.gz LERYMLTWVUHIHR-UHFFFAOYSA-N -1 3 328.390 2.605 20 5 EFBDHM CC[C@@H]([N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)C(C)(C)C ZINC000490454342 478340651 /nfs/dbraw/zinc/34/06/51/478340651.db2.gz PULAADYHMXZWAM-GFCCVEGCSA-N -1 3 348.396 2.846 20 5 EFBDHM O=c1cc(C=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)nc(C2CC2)[n-]1 ZINC000591238990 478496166 /nfs/dbraw/zinc/49/61/66/478496166.db2.gz DIWRIVWSZNKQQT-ONEGZZNKSA-N -1 3 341.323 2.909 20 5 EFBDHM CC[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC)[C@@H]1CC1(C)C ZINC000591333796 478525973 /nfs/dbraw/zinc/52/59/73/478525973.db2.gz AGHRGFDOCMVNMR-WDEREUQCSA-N -1 3 342.417 2.706 20 5 EFBDHM CC(C)(C)CC[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594749782 478529889 /nfs/dbraw/zinc/52/98/89/478529889.db2.gz YYMXTXDSBBMVJA-UHFFFAOYSA-N -1 3 337.401 2.858 20 5 EFBDHM C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594754933 478531553 /nfs/dbraw/zinc/53/15/53/478531553.db2.gz PUQVKMDXAQXSDM-PWSUYJOCSA-N -1 3 335.385 2.610 20 5 EFBDHM Cc1ccc([C@@H](C)NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1[N+](=O)[O-] ZINC000582369362 478581877 /nfs/dbraw/zinc/58/18/77/478581877.db2.gz JZNWJOIXQNTXQB-SNVBAGLBSA-N -1 3 342.355 2.767 20 5 EFBDHM CC[C@H](C)C[C@H](C)[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000491561407 478589393 /nfs/dbraw/zinc/58/93/93/478589393.db2.gz SSBGBHMDAUVWSM-UWVGGRQHSA-N -1 3 348.396 2.846 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)c2cccc([O-])c2)c1 ZINC000541799480 478591326 /nfs/dbraw/zinc/59/13/26/478591326.db2.gz JRLVUZBZMQZYNS-UHFFFAOYSA-N -1 3 336.369 2.742 20 5 EFBDHM CCc1cccc(-c2nc(-c3c([N+](=O)[O-])nc(C)n3C)no2)c1[O-] ZINC000571507755 478611209 /nfs/dbraw/zinc/61/12/09/478611209.db2.gz MKKJPINOMHDKSL-UHFFFAOYSA-N -1 3 329.316 2.622 20 5 EFBDHM CN(C)[C@@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])c1cccs1 ZINC000564336277 478727099 /nfs/dbraw/zinc/72/70/99/478727099.db2.gz WNRDKOHDWDTRLS-AWEZNQCLSA-N -1 3 349.412 2.998 20 5 EFBDHM CCCc1coc([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC000572375674 478821760 /nfs/dbraw/zinc/82/17/60/478821760.db2.gz SVCTWZQZRKEZJP-UHFFFAOYSA-N -1 3 333.300 2.559 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCC[C@H](F)C2)cc1C ZINC000564908892 478857197 /nfs/dbraw/zinc/85/71/97/478857197.db2.gz VJMXKLCOURTFTP-RYUDHWBXSA-N -1 3 330.381 2.771 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(C(F)F)CCCCC2)cc1 ZINC000508095145 478933581 /nfs/dbraw/zinc/93/35/81/478933581.db2.gz NGUIWZZXPKIKDV-UHFFFAOYSA-N -1 3 334.344 2.841 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1CN(C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000583758546 478934990 /nfs/dbraw/zinc/93/49/90/478934990.db2.gz NSUJCFJHKTZNQJ-MRXNPFEDSA-N -1 3 344.367 2.731 20 5 EFBDHM O=C(c1cc(F)c[n-]c1=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000598690727 478973928 /nfs/dbraw/zinc/97/39/28/478973928.db2.gz HTKBDWBOZQYTKY-UHFFFAOYSA-N -1 3 331.303 2.639 20 5 EFBDHM CCCCN1CCCC[C@H]1CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000573375044 479051411 /nfs/dbraw/zinc/05/14/11/479051411.db2.gz KZMIFTWBFJUGTL-ZDUSSCGKSA-N -1 3 336.392 2.755 20 5 EFBDHM CN(C)[C@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000592969386 479109962 /nfs/dbraw/zinc/10/99/62/479109962.db2.gz FXKHEYANOPMDJF-CYBMUJFWSA-N -1 3 348.334 2.542 20 5 EFBDHM C[C@@H]1CCC[C@H](C)N1CCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000592972129 479111417 /nfs/dbraw/zinc/11/14/17/479111417.db2.gz TVNYQJVRSZFSKF-BETUJISGSA-N -1 3 335.404 2.897 20 5 EFBDHM COc1cc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])ccc1N1CCCC1=O ZINC000596065250 479117129 /nfs/dbraw/zinc/11/71/29/479117129.db2.gz OJDSDKXLTWZHBM-UHFFFAOYSA-N -1 3 344.327 2.574 20 5 EFBDHM CCCCNC(=O)c1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000596076648 479123813 /nfs/dbraw/zinc/12/38/13/479123813.db2.gz BHATUUUFLPIEHN-UHFFFAOYSA-N -1 3 344.371 2.837 20 5 EFBDHM O=c1[n-]ccc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)c1[N+](=O)[O-] ZINC000596083809 479128901 /nfs/dbraw/zinc/12/89/01/479128901.db2.gz UNLXQODFBPLUOB-CYBMUJFWSA-N -1 3 335.747 2.927 20 5 EFBDHM COc1ccc(COCCCNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000596105362 479140882 /nfs/dbraw/zinc/14/08/82/479140882.db2.gz ONPVNVJUAHTFGV-UHFFFAOYSA-N -1 3 333.344 2.723 20 5 EFBDHM O=C(c1ccc(F)cc1)[C@@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596137314 479158983 /nfs/dbraw/zinc/15/89/83/479158983.db2.gz ZWSBWESKUBBNKN-GFCCVEGCSA-N -1 3 345.330 2.934 20 5 EFBDHM O=c1[n-]ccc(N2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000596145414 479162674 /nfs/dbraw/zinc/16/26/74/479162674.db2.gz SSXMWGDKUPYELE-OLQVQODUSA-N -1 3 345.199 2.872 20 5 EFBDHM O=c1[n-]ccc(N2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000596145417 479162702 /nfs/dbraw/zinc/16/27/02/479162702.db2.gz SSXMWGDKUPYELE-PHDIDXHHSA-N -1 3 345.199 2.872 20 5 EFBDHM Cc1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])c(O[C@H]2CCOC2)c1 ZINC000596161159 479170870 /nfs/dbraw/zinc/17/08/70/479170870.db2.gz DWTALRXZQMLOBU-ZDUSSCGKSA-N -1 3 345.355 2.784 20 5 EFBDHM Cc1sc(C(N)=O)cc1[N-]C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000610732937 479171010 /nfs/dbraw/zinc/17/10/10/479171010.db2.gz KOMPMMZKXLYBMN-UHFFFAOYSA-N -1 3 339.760 2.969 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCC(F)(F)C2)cc1C ZINC000610785273 479187094 /nfs/dbraw/zinc/18/70/94/479187094.db2.gz DMGSSZKZJCTMFC-SNVBAGLBSA-N -1 3 334.344 2.678 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2Cc3ccccc32)c1C ZINC000610800119 479192366 /nfs/dbraw/zinc/19/23/66/479192366.db2.gz MRMOTZWGIIQSFI-AWEZNQCLSA-N -1 3 346.408 2.830 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2Cc3ccccc32)c1C ZINC000610800120 479192683 /nfs/dbraw/zinc/19/26/83/479192683.db2.gz MRMOTZWGIIQSFI-CQSZACIVSA-N -1 3 346.408 2.830 20 5 EFBDHM C[C@@H](O)[C@@](C)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])Cc1ccccc1 ZINC000596205636 479197965 /nfs/dbraw/zinc/19/79/65/479197965.db2.gz BZJJGMFEONSKKF-SJKOYZFVSA-N -1 3 331.372 2.737 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(C(C)C)C(C)C ZINC000610898681 479228252 /nfs/dbraw/zinc/22/82/52/479228252.db2.gz SKWSGOGMJHPGHQ-UHFFFAOYSA-N -1 3 330.406 2.562 20 5 EFBDHM CC[C@@](CNc1cc[n-]c(=O)c1[N+](=O)[O-])(C(=O)OC)c1ccccc1 ZINC000596276098 479236083 /nfs/dbraw/zinc/23/60/83/479236083.db2.gz FMOATFBIOHDXPD-KRWDZBQOSA-N -1 3 345.355 2.628 20 5 EFBDHM O=C(c1n[n-]c2ccc([N+](=O)[O-])cc21)N1CCCOc2ccccc21 ZINC000610989298 479253368 /nfs/dbraw/zinc/25/33/68/479253368.db2.gz IEUABNHGXNQVDL-UHFFFAOYSA-N -1 3 338.323 2.900 20 5 EFBDHM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N=c1cc2ccccn2[n-]1 ZINC000557527437 479285154 /nfs/dbraw/zinc/28/51/54/479285154.db2.gz QFMXRKDETGLKQT-LLVKDONJSA-N -1 3 342.380 2.784 20 5 EFBDHM O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])NCc1ccc(F)cc1F ZINC000574582491 479312667 /nfs/dbraw/zinc/31/26/67/479312667.db2.gz CYUYRWANZGLWLE-AWEZNQCLSA-N -1 3 336.294 2.659 20 5 EFBDHM Cc1nc2c(c(=O)[n-]1)CN(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C2 ZINC000603417722 479379499 /nfs/dbraw/zinc/37/94/99/479379499.db2.gz YEWGANUXLHRZKC-UHFFFAOYSA-N -1 3 340.261 2.938 20 5 EFBDHM O=C(Nc1ccc(Br)cc1[O-])c1cc([N+](=O)[O-])c[nH]1 ZINC000603626650 479415429 /nfs/dbraw/zinc/41/54/29/479415429.db2.gz PJXVHUDETUTBKF-UHFFFAOYSA-N -1 3 326.106 2.643 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CC3(CCC3)C2)c(Cl)c1 ZINC000593663702 479415554 /nfs/dbraw/zinc/41/55/54/479415554.db2.gz DNEAIOJYCUPLMA-UHFFFAOYSA-N -1 3 330.793 2.859 20 5 EFBDHM Cc1nccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1Cl ZINC000611567319 479417790 /nfs/dbraw/zinc/41/77/90/479417790.db2.gz ABDBIUMHFQPJNI-UHFFFAOYSA-N -1 3 331.719 2.502 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000593748941 479446270 /nfs/dbraw/zinc/44/62/70/479446270.db2.gz XRLQSHSQTORSFK-CYBMUJFWSA-N -1 3 336.388 2.926 20 5 EFBDHM O=C([N-]c1ccc(F)c(F)c1F)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000603940192 479455732 /nfs/dbraw/zinc/45/57/32/479455732.db2.gz SXIOYIYGFRPUDN-UHFFFAOYSA-N -1 3 340.213 2.993 20 5 EFBDHM COc1ccccc1N(C)C(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000604253347 479492925 /nfs/dbraw/zinc/49/29/25/479492925.db2.gz LIRJSHAHVUGWIY-UHFFFAOYSA-N -1 3 326.312 2.756 20 5 EFBDHM CCC(C)(C)N1CCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])CC1 ZINC000593947775 479516355 /nfs/dbraw/zinc/51/63/55/479516355.db2.gz XGINRVPAGOAWHP-UHFFFAOYSA-N -1 3 335.404 2.912 20 5 EFBDHM C[C@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000604431875 479517477 /nfs/dbraw/zinc/51/74/77/479517477.db2.gz VXSGKOSISDYIEJ-QWRGUYRKSA-N -1 3 330.381 2.839 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C(C)(C)CC(F)(F)F ZINC000614856669 479529109 /nfs/dbraw/zinc/52/91/09/479529109.db2.gz IKAMSCCRPYPSMP-UHFFFAOYSA-N -1 3 340.323 2.913 20 5 EFBDHM COC1CCC(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)CC1 ZINC000614916146 479547535 /nfs/dbraw/zinc/54/75/35/479547535.db2.gz APVGWNSOYNTHMA-UHFFFAOYSA-N -1 3 344.371 2.551 20 5 EFBDHM O=c1[n-]cnc2c1CCN(c1ccc([N+](=O)[O-])c(-c3ccccc3)n1)C2 ZINC000612093058 479579827 /nfs/dbraw/zinc/57/98/27/479579827.db2.gz AXVMXJIQZOQUJB-UHFFFAOYSA-N -1 3 349.350 2.715 20 5 EFBDHM CC(C)c1ccc(C(=O)Nc2[nH]nc3cc([O-])ccc32)cc1[N+](=O)[O-] ZINC000590557799 479658926 /nfs/dbraw/zinc/65/89/26/479658926.db2.gz KCBNNIRPMLUDDO-UHFFFAOYSA-N -1 3 340.339 2.974 20 5 EFBDHM O=C(CCc1cccc([N+](=O)[O-])c1)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000590557746 479659322 /nfs/dbraw/zinc/65/93/22/479659322.db2.gz IDQSDDVGDGLLHZ-UHFFFAOYSA-N -1 3 326.312 2.748 20 5 EFBDHM CC(C)([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)c1ccccc1 ZINC000590585581 479663467 /nfs/dbraw/zinc/66/34/67/479663467.db2.gz FIOGGOXVRFOGSE-UHFFFAOYSA-N -1 3 348.380 2.535 20 5 EFBDHM Cc1cc(S(=O)(=O)[N-]CCc2ccccc2)c(F)cc1[N+](=O)[O-] ZINC000590590237 479664088 /nfs/dbraw/zinc/66/40/88/479664088.db2.gz WOVKAZQQPGRYRP-UHFFFAOYSA-N -1 3 338.360 2.563 20 5 EFBDHM Cc1ccccc1C[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000590588948 479664114 /nfs/dbraw/zinc/66/41/14/479664114.db2.gz DTXBTNCDORKBAQ-UHFFFAOYSA-N -1 3 338.360 2.829 20 5 EFBDHM CCC[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000612786208 479761358 /nfs/dbraw/zinc/76/13/58/479761358.db2.gz WNZNMUJLTQFMET-OAHLLOKOSA-N -1 3 335.385 2.810 20 5 EFBDHM CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619476251 479805370 /nfs/dbraw/zinc/80/53/70/479805370.db2.gz VUSFKSLHXUJDNH-NWDGAFQWSA-N -1 3 342.417 2.851 20 5 EFBDHM CC[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000610136583 480242432 /nfs/dbraw/zinc/24/24/32/480242432.db2.gz RVSCPLVINIBCHT-NEPJUHHUSA-N -1 3 342.417 2.851 20 5 EFBDHM CC[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000610136592 480243176 /nfs/dbraw/zinc/24/31/76/480243176.db2.gz SDVLWDYIWJMHBT-RYUDHWBXSA-N -1 3 342.417 2.851 20 5 EFBDHM CC(C)n1ncc2cc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)ccc21 ZINC000618374681 480647367 /nfs/dbraw/zinc/64/73/67/480647367.db2.gz KDQZLSQAEQXTDE-UHFFFAOYSA-N -1 3 341.327 2.878 20 5 EFBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000049239715 527400468 /nfs/dbraw/zinc/40/04/68/527400468.db2.gz FZEQUDLYJXOHMS-UHFFFAOYSA-N -1 3 332.790 2.788 20 5 EFBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000056088647 527401075 /nfs/dbraw/zinc/40/10/75/527401075.db2.gz JONQTGUBEGLVQG-UHFFFAOYSA-N -1 3 344.751 2.866 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCCOc2ccccc21 ZINC000155424215 527405885 /nfs/dbraw/zinc/40/58/85/527405885.db2.gz JHODPLJIUKIMAG-CYBMUJFWSA-N -1 3 348.380 2.787 20 5 EFBDHM CC(C)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000162680299 527742369 /nfs/dbraw/zinc/74/23/69/527742369.db2.gz MGLMKYPVUZUMDA-UHFFFAOYSA-N -1 3 340.323 2.938 20 5 EFBDHM CC(C)n1[n-]cc/c1=N\C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000130516994 528524649 /nfs/dbraw/zinc/52/46/49/528524649.db2.gz VQEMJCWDOZHIMH-KNTRCKAVSA-N -1 3 343.387 2.991 20 5 EFBDHM CC(C)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c(F)c1 ZINC000359712685 535013634 /nfs/dbraw/zinc/01/36/34/535013634.db2.gz CIUWNZODBGEMKP-UHFFFAOYSA-N -1 3 335.291 2.874 20 5 EFBDHM CCc1[nH]nc(C(=O)[N-]c2nc(-c3ccco3)cs2)c1[N+](=O)[O-] ZINC000346125791 536008485 /nfs/dbraw/zinc/00/84/85/536008485.db2.gz ANSSWAISKUEHBG-UHFFFAOYSA-N -1 3 333.329 2.849 20 5 EFBDHM COC(=O)c1ccc(F)c([N-]C(=O)c2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000344226808 536719002 /nfs/dbraw/zinc/71/90/02/536719002.db2.gz XSUUWZYAUNXHKY-UHFFFAOYSA-N -1 3 336.250 2.912 20 5 EFBDHM Cc1c(C[N-]C(=O)C(F)(F)c2nccs2)cccc1[N+](=O)[O-] ZINC000756541659 575757979 /nfs/dbraw/zinc/75/79/79/575757979.db2.gz GFWVXAAKVLKPQY-UHFFFAOYSA-N -1 3 327.312 2.768 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1ccc([N+](=O)[O-])cc1F ZINC000756663757 575774267 /nfs/dbraw/zinc/77/42/67/575774267.db2.gz FXZBAXBYIRWURO-UHFFFAOYSA-N -1 3 335.247 2.903 20 5 EFBDHM COc1cc(C(=O)OCCOc2ccccc2[N+](=O)[O-])ccc1[O-] ZINC000757097248 575821757 /nfs/dbraw/zinc/82/17/57/575821757.db2.gz JDRUMEFPBFDHBC-UHFFFAOYSA-N -1 3 333.296 2.545 20 5 EFBDHM Cc1cc([O-])ccc1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000758515994 575871330 /nfs/dbraw/zinc/87/13/30/575871330.db2.gz MYLXSXVOUMFNPF-LLVKDONJSA-N -1 3 344.323 2.793 20 5 EFBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H](C)c2ccc[nH]2)cc1[N+](=O)[O-] ZINC000760402638 576018624 /nfs/dbraw/zinc/01/86/24/576018624.db2.gz FMDPSKNRDPMCKX-VIFPVBQESA-N -1 3 343.792 2.924 20 5 EFBDHM O=C([N-]OCC(F)(F)F)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000766759187 577180908 /nfs/dbraw/zinc/18/09/08/577180908.db2.gz RXGZUMDPXWDDDV-UHFFFAOYSA-N -1 3 332.156 2.837 20 5 EFBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]Cc2coc3ccccc23)cs1 ZINC000768831102 577307102 /nfs/dbraw/zinc/30/71/02/577307102.db2.gz GQKJZKNDKYYNAH-UHFFFAOYSA-N -1 3 338.366 2.881 20 5 EFBDHM COc1ccc([C@@H](C)[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000768835882 577307696 /nfs/dbraw/zinc/30/76/96/577307696.db2.gz SQBLYNOXVINXDH-SECBINFHSA-N -1 3 342.398 2.704 20 5 EFBDHM C[C@@]1(c2ccccc2)C[C@H]1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768840741 577308128 /nfs/dbraw/zinc/30/81/28/577308128.db2.gz CGAGQJBTWJMXBK-OCCSQVGLSA-N -1 3 338.410 2.665 20 5 EFBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3CCC[C@@H]3C2)cs1 ZINC000768844803 577308746 /nfs/dbraw/zinc/30/87/46/577308746.db2.gz VSXYEUGBHWYFAO-HBNTYKKESA-N -1 3 330.431 2.903 20 5 EFBDHM CCC1(CC)[C@H]([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)C[C@H]1OC ZINC000768862425 577311244 /nfs/dbraw/zinc/31/12/44/577311244.db2.gz KPHDZSRYCUSWOW-GHMZBOCLSA-N -1 3 348.446 2.528 20 5 EFBDHM Cn1ccnc1-c1csc([N-]C(=O)c2cc([N+](=O)[O-])ccc2F)n1 ZINC000769751062 577382379 /nfs/dbraw/zinc/38/23/79/577382379.db2.gz DAFPCQHKRJQCDV-UHFFFAOYSA-N -1 3 347.331 2.843 20 5 EFBDHM CC(C)C[C@@H]1OCCC[C@@H]1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000774894327 581503390 /nfs/dbraw/zinc/50/33/90/581503390.db2.gz LFNILAGYQTVORH-RYUDHWBXSA-N -1 3 348.446 2.528 20 5 EFBDHM Cc1cccc([C@H](C)CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000737388155 599046876 /nfs/dbraw/zinc/04/68/76/599046876.db2.gz LDIKBOPONVERKP-LLVKDONJSA-N -1 3 339.359 2.694 20 5 EFBDHM Cc1cccc([C@H](C)CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000737388155 599046879 /nfs/dbraw/zinc/04/68/79/599046879.db2.gz LDIKBOPONVERKP-LLVKDONJSA-N -1 3 339.359 2.694 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CCC3(C2)CCCCC3)c(-c2nnn[n-]2)c1 ZINC000823640261 599051466 /nfs/dbraw/zinc/05/14/66/599051466.db2.gz ZFYVOVGCLRCOBM-UHFFFAOYSA-N -1 3 328.376 2.936 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CCC3(C2)CCCCC3)c(-c2nn[n-]n2)c1 ZINC000823640261 599051469 /nfs/dbraw/zinc/05/14/69/599051469.db2.gz ZFYVOVGCLRCOBM-UHFFFAOYSA-N -1 3 328.376 2.936 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC(C(F)(F)F)CC1 ZINC000823629919 599091401 /nfs/dbraw/zinc/09/14/01/599091401.db2.gz MAVGKCNDTPEFNW-UHFFFAOYSA-N -1 3 342.281 2.554 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC(C(F)(F)F)CC1 ZINC000823629919 599091403 /nfs/dbraw/zinc/09/14/03/599091403.db2.gz MAVGKCNDTPEFNW-UHFFFAOYSA-N -1 3 342.281 2.554 20 5 EFBDHM CN(Cc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000821611133 607344305 /nfs/dbraw/zinc/34/43/05/607344305.db2.gz RQYOAELGLUVQGF-UHFFFAOYSA-N -1 3 328.307 2.550 20 5 EFBDHM O=[N+]([O-])c1cc(N(Cc2ccccc2)C2CC2)ccc1-c1nnn[n-]1 ZINC000823635075 607347089 /nfs/dbraw/zinc/34/70/89/607347089.db2.gz QXQNKTZKUBJARY-UHFFFAOYSA-N -1 3 336.355 2.944 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CCCc3ccccc3C2)c(-c2nnn[n-]2)c1 ZINC000738369586 598390103 /nfs/dbraw/zinc/39/01/03/598390103.db2.gz JNRQCBSPTWWYSH-UHFFFAOYSA-N -1 3 336.355 2.728 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CCCc3ccccc3C2)c(-c2nn[n-]n2)c1 ZINC000738369586 598390105 /nfs/dbraw/zinc/39/01/05/598390105.db2.gz JNRQCBSPTWWYSH-UHFFFAOYSA-N -1 3 336.355 2.728 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H](CCO)C1CCCCC1 ZINC000738357655 599351305 /nfs/dbraw/zinc/35/13/05/599351305.db2.gz HQNDHWYIZHQJAM-ZDUSSCGKSA-N -1 3 346.391 2.518 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H](CCO)C1CCCCC1 ZINC000738357655 599351307 /nfs/dbraw/zinc/35/13/07/599351307.db2.gz HQNDHWYIZHQJAM-ZDUSSCGKSA-N -1 3 346.391 2.518 20 5 EFBDHM O=C([O-])C[C@H]1CCCCN1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000739639545 600078724 /nfs/dbraw/zinc/07/87/24/600078724.db2.gz PJENDJCXAFJKDV-MRXNPFEDSA-N -1 3 344.371 2.745 20 5 EFBDHM COc1ccc(CN(C)[C@H](C(=O)[O-])c2ccccc2)cc1[N+](=O)[O-] ZINC000737995358 600403776 /nfs/dbraw/zinc/40/37/76/600403776.db2.gz QPVLIFFKVRPCEU-INIZCTEOSA-N -1 3 330.340 2.861 20 5 EFBDHM O=C([O-])[C@H](NCCNc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000833166855 600734100 /nfs/dbraw/zinc/73/41/00/600734100.db2.gz VTFOSCDAFHKJER-OAHLLOKOSA-N -1 3 333.319 2.561 20 5 EFBDHM COc1ccc(CNc2ccc(F)c([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000826203677 607545152 /nfs/dbraw/zinc/54/51/52/607545152.db2.gz AYIMQFQELPQVKL-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM COc1ccc(CNc2ccc(F)c([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000826203677 607545154 /nfs/dbraw/zinc/54/51/54/607545154.db2.gz AYIMQFQELPQVKL-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM C[C@@]1(NCc2nc3cc([N+](=O)[O-])ccc3o2)CCCC[C@@H]1C(=O)[O-] ZINC000833569838 605067424 /nfs/dbraw/zinc/06/74/24/605067424.db2.gz PNGNORFYOKAAJA-BDJLRTHQSA-N -1 3 333.344 2.859 20 5 EFBDHM C[C@]1(NCc2nc3cc([N+](=O)[O-])ccc3o2)CCCC[C@H]1C(=O)[O-] ZINC000833569841 605067678 /nfs/dbraw/zinc/06/76/78/605067678.db2.gz PNGNORFYOKAAJA-ZBEGNZNMSA-N -1 3 333.344 2.859 20 5 EFBDHM CC1=C(C(=O)[O-])C[C@H](CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)O1 ZINC000833585149 605379138 /nfs/dbraw/zinc/37/91/38/605379138.db2.gz UYGNJCGACUXYBD-OAHLLOKOSA-N -1 3 332.356 2.707 20 5 EFBDHM CCO[C@H](CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C(C)C ZINC000821350877 606039435 /nfs/dbraw/zinc/03/94/35/606039435.db2.gz FSPQIOKQICJTSL-CQSZACIVSA-N -1 3 334.380 2.638 20 5 EFBDHM CCO[C@H](CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C(C)C ZINC000821350877 606039439 /nfs/dbraw/zinc/03/94/39/606039439.db2.gz FSPQIOKQICJTSL-CQSZACIVSA-N -1 3 334.380 2.638 20 5 EFBDHM CN(Cc1cccc(-c2nnn[n-]2)c1)Cc1ccc([N+](=O)[O-])cc1F ZINC000821613284 606158289 /nfs/dbraw/zinc/15/82/89/606158289.db2.gz GUXXXBASJSMDAS-UHFFFAOYSA-N -1 3 342.334 2.546 20 5 EFBDHM CN(Cc1cccc(-c2nn[n-]n2)c1)Cc1ccc([N+](=O)[O-])cc1F ZINC000821613284 606158290 /nfs/dbraw/zinc/15/82/90/606158290.db2.gz GUXXXBASJSMDAS-UHFFFAOYSA-N -1 3 342.334 2.546 20 5 EFBDHM CC(C)[C@@H]1OCCC[C@H]1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820043492 606426838 /nfs/dbraw/zinc/42/68/38/606426838.db2.gz AHJKWUDHGUVDJY-WFASDCNBSA-N -1 3 346.391 2.638 20 5 EFBDHM CC(C)[C@@H]1OCCC[C@H]1CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820043492 606426841 /nfs/dbraw/zinc/42/68/41/606426841.db2.gz AHJKWUDHGUVDJY-WFASDCNBSA-N -1 3 346.391 2.638 20 5 EFBDHM CN(c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)[C@H]1CCc2ccccc21 ZINC000821619259 606644762 /nfs/dbraw/zinc/64/47/62/606644762.db2.gz PHQVAEMQGMAZMN-HNNXBMFYSA-N -1 3 336.355 2.899 20 5 EFBDHM O=[N+]([O-])c1cnc(Oc2ccc(-c3nnn[n-]3)cc2F)c(Cl)c1 ZINC000823650777 607129721 /nfs/dbraw/zinc/12/97/21/607129721.db2.gz APKSPFKYMYBBLT-UHFFFAOYSA-N -1 3 336.670 2.755 20 5 EFBDHM O=[N+]([O-])c1cnc(Oc2ccc(-c3nn[n-]n3)cc2F)c(Cl)c1 ZINC000823650777 607129722 /nfs/dbraw/zinc/12/97/22/607129722.db2.gz APKSPFKYMYBBLT-UHFFFAOYSA-N -1 3 336.670 2.755 20 5 EFBDHM Cc1cccc(Oc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000826300975 607867217 /nfs/dbraw/zinc/86/72/17/607867217.db2.gz NKWNVIKNXNJRKM-UHFFFAOYSA-N -1 3 342.271 2.784 20 5 EFBDHM Cc1cccc(Oc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000826300975 607867218 /nfs/dbraw/zinc/86/72/18/607867218.db2.gz NKWNVIKNXNJRKM-UHFFFAOYSA-N -1 3 342.271 2.784 20 5 EFBDHM O=[N+]([O-])c1cccc(CCNc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826499619 607968401 /nfs/dbraw/zinc/96/84/01/607968401.db2.gz QATOJODRSNMERA-UHFFFAOYSA-N -1 3 328.307 2.569 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H](c1cccnc1)C1CC1 ZINC000826497312 607969011 /nfs/dbraw/zinc/96/90/11/607969011.db2.gz CCNAJQXPGIXAOF-OAHLLOKOSA-N -1 3 337.343 2.733 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H](c1cccnc1)C1CC1 ZINC000826497312 607969012 /nfs/dbraw/zinc/96/90/12/607969012.db2.gz CCNAJQXPGIXAOF-OAHLLOKOSA-N -1 3 337.343 2.733 20 5 EFBDHM CC(C)(C)[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO1 ZINC000824080625 608149574 /nfs/dbraw/zinc/14/95/74/608149574.db2.gz YSEPJPQWKVGIAZ-FZMZJTMJSA-N -1 3 346.391 2.781 20 5 EFBDHM CC(C)(C)[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCO1 ZINC000824080625 608149575 /nfs/dbraw/zinc/14/95/75/608149575.db2.gz YSEPJPQWKVGIAZ-FZMZJTMJSA-N -1 3 346.391 2.781 20 5 EFBDHM C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC12CCC2 ZINC000824961527 608195971 /nfs/dbraw/zinc/19/59/71/608195971.db2.gz DBRRPFZGWRTFKJ-NSHDSACASA-N -1 3 328.376 2.791 20 5 EFBDHM C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC12CCC2 ZINC000824961527 608195973 /nfs/dbraw/zinc/19/59/73/608195973.db2.gz DBRRPFZGWRTFKJ-NSHDSACASA-N -1 3 328.376 2.791 20 5 EFBDHM O=[N+]([O-])c1ccc(NCCCc2cccs2)c(-c2nnn[n-]2)c1 ZINC000826498891 608797871 /nfs/dbraw/zinc/79/78/71/608797871.db2.gz NMUQURKINFYLME-UHFFFAOYSA-N -1 3 330.373 2.881 20 5 EFBDHM O=[N+]([O-])c1ccc(NCCCc2cccs2)c(-c2nn[n-]n2)c1 ZINC000826498891 608797872 /nfs/dbraw/zinc/79/78/72/608797872.db2.gz NMUQURKINFYLME-UHFFFAOYSA-N -1 3 330.373 2.881 20 5 EFBDHM CCc1cc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)ccc1C ZINC000825700479 609323005 /nfs/dbraw/zinc/32/30/05/609323005.db2.gz HIUMVGIUYKOWJY-UHFFFAOYSA-N -1 3 325.332 2.784 20 5 EFBDHM CCc1cc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)ccc1C ZINC000825700479 609323007 /nfs/dbraw/zinc/32/30/07/609323007.db2.gz HIUMVGIUYKOWJY-UHFFFAOYSA-N -1 3 325.332 2.784 20 5 EFBDHM CC(C(=O)NC/C=C\CNc1cc[n-]c(=O)c1[N+](=O)[O-])=C1CCCC1 ZINC001107112675 1253118383 /nfs/dbraw/zinc/11/83/83/1253118383.db2.gz MDVVAUCPOMNMQX-PLNGDYQASA-N -1 3 346.387 2.670 20 5 EFBDHM CCC(CC)CC(=O)NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107304803 1255555898 /nfs/dbraw/zinc/55/58/98/1255555898.db2.gz XTXCUGUOFMEMKN-AATRIKPKSA-N -1 3 336.392 2.606 20 5 EFBDHM CC(C)=C(C)CC(=O)NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107443757 1255833815 /nfs/dbraw/zinc/83/38/15/1255833815.db2.gz NQLZAIWSURQBJX-SNAWJCMRSA-N -1 3 334.376 2.526 20 5 EFBDHM CC1(C(=O)NC/C=C/CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCCC1 ZINC001107490604 1255987776 /nfs/dbraw/zinc/98/77/76/1255987776.db2.gz LNKBQXFPRWVQJF-AATRIKPKSA-N -1 3 348.403 2.750 20 5 EFBDHM O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NCc1ccc([O-])c(F)c1 ZINC000737430516 1269477162 /nfs/dbraw/zinc/47/71/62/1269477162.db2.gz TURWIJCSAALBBW-UHFFFAOYSA-N -1 3 345.330 2.944 20 5 EFBDHM O=C(CC1CC1)N[C@H]1CC[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001066417948 1270179853 /nfs/dbraw/zinc/17/98/53/1270179853.db2.gz UUMJAXLJFNWEBX-JOCQHMNTSA-N -1 3 348.403 2.582 20 5 EFBDHM O=[N+]([O-])c1ccc(Oc2ncc(NCc3ncccc3[O-])cn2)cc1 ZINC001169733501 1273144073 /nfs/dbraw/zinc/14/40/73/1273144073.db2.gz WSRTYQALZLJMPQ-UHFFFAOYSA-N -1 3 339.311 2.890 20 5 EFBDHM CN(CCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C=C1CCCCC1 ZINC001109381218 1274207756 /nfs/dbraw/zinc/20/77/56/1274207756.db2.gz LRCVMPZDXXNOFR-UHFFFAOYSA-N -1 3 348.403 2.846 20 5 EFBDHM O=C(NCC1(Nc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1[O-] ZINC001110075538 1275096125 /nfs/dbraw/zinc/09/61/25/1275096125.db2.gz BLTWACVCWYNVOD-UHFFFAOYSA-N -1 3 327.340 2.675 20 5 EFBDHM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1nnc2ccccc2n1 ZINC000820000013 1276989902 /nfs/dbraw/zinc/98/99/02/1276989902.db2.gz ZDHGFTVYAIYWMG-UHFFFAOYSA-N -1 3 339.311 2.584 20 5 EFBDHM Cc1cc2[nH]ncc2cc1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000790646110 1277716139 /nfs/dbraw/zinc/71/61/39/1277716139.db2.gz JDVOCUJJAWCJMZ-UHFFFAOYSA-N -1 3 338.370 2.642 20 5 EFBDHM CC1(C(=O)NC[C@H]2C[C@@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)CCCC1 ZINC001091385759 1280454569 /nfs/dbraw/zinc/45/45/69/1280454569.db2.gz NYFAKLZXAVVOOZ-TXEJJXNPSA-N -1 3 348.403 2.582 20 5 EFBDHM CC(C)=C(C)CC(=O)NC[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001091389508 1280506034 /nfs/dbraw/zinc/50/60/34/1280506034.db2.gz MGFYSQFYIZYZMX-BETUJISGSA-N -1 3 348.403 2.749 20 5 EFBDHM CC(C(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1)=C1CCCC1 ZINC001110118385 1280797999 /nfs/dbraw/zinc/79/79/99/1280797999.db2.gz QCBIFOICOUSLHC-UHFFFAOYSA-N -1 3 346.387 2.647 20 5 EFBDHM COc1cccc2c(C(=O)OCc3cccc([N+](=O)[O-])c3)n[n-]c21 ZINC000808672627 1281854992 /nfs/dbraw/zinc/85/49/92/1281854992.db2.gz CZCBOLVKJUBYEP-UHFFFAOYSA-N -1 3 327.296 2.837 20 5 EFBDHM COc1cccc2c(C(=O)OCc3cccc([N+](=O)[O-])c3)[n-]nc21 ZINC000808672627 1281854998 /nfs/dbraw/zinc/85/49/98/1281854998.db2.gz CZCBOLVKJUBYEP-UHFFFAOYSA-N -1 3 327.296 2.837 20 5 EFBDHM O=C(CC1CC1)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCCCC1 ZINC001093373420 1283816028 /nfs/dbraw/zinc/81/60/28/1283816028.db2.gz PFXQBNHIUDEEQO-UHFFFAOYSA-N -1 3 348.403 2.727 20 5 EFBDHM O=C(NCCCNc1ccc(F)cc1[N+](=O)[O-])c1ccccc1[O-] ZINC001094338442 1284943545 /nfs/dbraw/zinc/94/35/45/1284943545.db2.gz KKJWGUKLXZGZTK-UHFFFAOYSA-N -1 3 333.319 2.672 20 5 EFBDHM Cc1ccc(C)c(C(=O)NCCCNc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001094414442 1285039675 /nfs/dbraw/zinc/03/96/75/1285039675.db2.gz GGDJYNYRSMBYJY-UHFFFAOYSA-N -1 3 344.371 2.544 20 5 EFBDHM CC(C)c1occc1C(=O)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094476380 1285184606 /nfs/dbraw/zinc/18/46/06/1285184606.db2.gz SWKYKFOQYBDLGK-UHFFFAOYSA-N -1 3 348.359 2.644 20 5 EFBDHM CCCC1(C(=O)NCCCNc2cc[n-]c(=O)c2[N+](=O)[O-])CCC1 ZINC001094712485 1285482390 /nfs/dbraw/zinc/48/23/90/1285482390.db2.gz FTUFEHTZKAUDEQ-UHFFFAOYSA-N -1 3 336.392 2.584 20 5 EFBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000813394284 1285904761 /nfs/dbraw/zinc/90/47/61/1285904761.db2.gz JQBSEFMKXYKROF-UHFFFAOYSA-N -1 3 345.246 2.771 20 5 EFBDHM COC(=O)c1cc(C(=O)OCc2ccc(Cl)cc2[N+](=O)[O-])c[n-]1 ZINC000814531726 1286724492 /nfs/dbraw/zinc/72/44/92/1286724492.db2.gz VQXGGMBPRUASRE-UHFFFAOYSA-N -1 3 338.703 2.720 20 5 EFBDHM O=C1CCc2cc(-c3noc(-c4cc([N+](=O)[O-])c[n-]c4=O)n3)ccc21 ZINC001212935588 1290901516 /nfs/dbraw/zinc/90/15/16/1290901516.db2.gz BSRZGBISGCRXRX-UHFFFAOYSA-N -1 3 338.279 2.541 20 5 EFBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nc(-c2cnc3c(c2)CCCC3)no1 ZINC001212937024 1290904330 /nfs/dbraw/zinc/90/43/30/1290904330.db2.gz JZKAGYKVULNSMS-UHFFFAOYSA-N -1 3 339.311 2.686 20 5 EFBDHM Cc1ncc(Cl)cc1-c1noc(-c2cc([N+](=O)[O-])c[n-]c2=O)n1 ZINC001212936918 1290904531 /nfs/dbraw/zinc/90/45/31/1290904531.db2.gz DLVZPOFGBQJJPM-UHFFFAOYSA-N -1 3 333.691 2.769 20 5 EFBDHM CCC(=CC(=O)N[C@H]1C[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1)CC ZINC001114754246 1291778206 /nfs/dbraw/zinc/77/82/06/1291778206.db2.gz WBWPVNUMELKREX-JOCQHMNTSA-N -1 3 348.403 2.749 20 5 EFBDHM Cc1n[n-]c(C)c1S(=O)(=O)Oc1ccc([N+](=O)[O-])c2ccccc12 ZINC000775480910 1292661229 /nfs/dbraw/zinc/66/12/29/1292661229.db2.gz WRHNVEUZYULOBX-UHFFFAOYSA-N -1 3 347.352 2.856 20 5 EFBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CCCC(F)(F)C2)cs1 ZINC000800147331 1293931867 /nfs/dbraw/zinc/93/18/67/1293931867.db2.gz RNNQSCFGZMYLHZ-QMMMGPOBSA-N -1 3 340.373 2.760 20 5 EFBDHM Cc1cc(F)c(F)cc1-c1noc(-c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC001212844009 1295536852 /nfs/dbraw/zinc/53/68/52/1295536852.db2.gz IJXWJFRSQLQTCX-UHFFFAOYSA-N -1 3 334.238 2.999 20 5 EFBDHM O=C1CCc2cc(-c3noc(-c4c[n-]c(=O)c([N+](=O)[O-])c4)n3)ccc21 ZINC001212844120 1295537137 /nfs/dbraw/zinc/53/71/37/1295537137.db2.gz KEYCVUFUHWRHQV-UHFFFAOYSA-N -1 3 338.279 2.541 20 5 EFBDHM O=c1[nH]cc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1Br ZINC001199819274 1295741592 /nfs/dbraw/zinc/74/15/92/1295741592.db2.gz NORWYMKMAYMYBQ-UHFFFAOYSA-N -1 3 326.106 2.907 20 5 EFBDHM NC(=O)c1cc(Cl)nc(Cl)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199819567 1295741690 /nfs/dbraw/zinc/74/16/90/1295741690.db2.gz YOQVMUNDHOWAGZ-UHFFFAOYSA-N -1 3 343.126 2.845 20 5 EFBDHM Cc1cnn(CC2CCOCC2)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199828721 1295765581 /nfs/dbraw/zinc/76/55/81/1295765581.db2.gz QNBZFEWLDKNBBW-UHFFFAOYSA-N -1 3 332.360 2.976 20 5 EFBDHM COC(=O)C1CN(c2ccccc2Nc2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC001201229172 1296637634 /nfs/dbraw/zinc/63/76/34/1296637634.db2.gz GBAYBKVFWOSOPZ-UHFFFAOYSA-N -1 3 343.339 2.653 20 5 EFBDHM CC/C=C(\C)C(=O)NC1(C)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001110576912 1297277426 /nfs/dbraw/zinc/27/74/26/1297277426.db2.gz IMKOZBREFARZTN-LFYBBSHMSA-N -1 3 348.403 2.527 20 5 EFBDHM O=C([O-])C1(C(F)(F)F)CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000903921648 1313422168 /nfs/dbraw/zinc/42/21/68/1313422168.db2.gz NRYQOZOKGOVICI-UHFFFAOYSA-N -1 3 346.305 2.866 20 5 EFBDHM Cc1ccc(CN2CC[C@H](C(=O)[O-])C[C@@H]2[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000903940668 1313453329 /nfs/dbraw/zinc/45/33/29/1313453329.db2.gz ILKNAKSZWZLVLV-USXIJHARSA-N -1 3 348.399 2.747 20 5 EFBDHM O=c1[n-]ccc(N2CCC([C@@H](O)c3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000853300241 1300080077 /nfs/dbraw/zinc/08/00/77/1300080077.db2.gz GRNUUVWJTSWZKL-INIZCTEOSA-N -1 3 347.346 2.785 20 5 EFBDHM Cc1cc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])ccc1N1CCOCC1 ZINC000853475564 1300128298 /nfs/dbraw/zinc/12/82/98/1300128298.db2.gz PJGVTNQNTMHHJM-UHFFFAOYSA-N -1 3 330.344 2.584 20 5 EFBDHM O=c1[n-]ccc(N2CCC(O)(c3ccccc3Cl)CC2)c1[N+](=O)[O-] ZINC000853537290 1300154427 /nfs/dbraw/zinc/15/44/27/1300154427.db2.gz UFPBGQGTBYDRMM-UHFFFAOYSA-N -1 3 349.774 2.837 20 5 EFBDHM CC[C@@H](C)CO[N-]C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000794866677 1303395407 /nfs/dbraw/zinc/39/54/07/1303395407.db2.gz UHTUATUUQFGRDF-SNVBAGLBSA-N -1 3 325.321 2.530 20 5 EFBDHM CCc1noc(C)c1[N-]C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000120807563 1303459802 /nfs/dbraw/zinc/45/98/02/1303459802.db2.gz NITKHPQSMXBDJN-UHFFFAOYSA-N -1 3 334.288 2.923 20 5 EFBDHM CC/C=C(/C)C(=O)NCCCN(c1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1 ZINC001096008835 1307057340 /nfs/dbraw/zinc/05/73/40/1307057340.db2.gz IBMJDNNQOLRBDD-XGICHPGQSA-N -1 3 348.403 2.527 20 5 EFBDHM C[C@H](OC(=O)c1cc(F)cc2[n-]nnc21)c1ccccc1[N+](=O)[O-] ZINC000800259435 1307633917 /nfs/dbraw/zinc/63/39/17/1307633917.db2.gz NHEGMCGIXPYHQU-QMMMGPOBSA-N -1 3 330.275 2.923 20 5 EFBDHM C[C@H](OC(=O)c1cc(F)cc2nn[n-]c21)c1ccccc1[N+](=O)[O-] ZINC000800259435 1307633920 /nfs/dbraw/zinc/63/39/20/1307633920.db2.gz NHEGMCGIXPYHQU-QMMMGPOBSA-N -1 3 330.275 2.923 20 5 EFBDHM C[C@H](OC(=O)c1cc(F)cc2n[n-]nc21)c1ccccc1[N+](=O)[O-] ZINC000800259435 1307633923 /nfs/dbraw/zinc/63/39/23/1307633923.db2.gz NHEGMCGIXPYHQU-QMMMGPOBSA-N -1 3 330.275 2.923 20 5 EFBDHM Cc1ccc(CN[C@]2(C(=O)[O-])CCc3ccccc32)cc1[N+](=O)[O-] ZINC000901666343 1310848882 /nfs/dbraw/zinc/84/88/82/1310848882.db2.gz OQJFCRJAJRJZPN-GOSISDBHSA-N -1 3 326.352 2.919 20 5 EFBDHM O=[N+]([O-])c1ccccc1N1CC[C@H](Oc2ccc3c([O-])coc3c2)C1 ZINC001225341057 1311509868 /nfs/dbraw/zinc/50/98/68/1311509868.db2.gz WWUSVRKFQLWABM-ZDUSSCGKSA-N -1 3 340.335 2.828 20 5 EFBDHM O=c1ncc(C(F)(F)F)c(O[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)[n-]1 ZINC001225579036 1311547372 /nfs/dbraw/zinc/54/73/72/1311547372.db2.gz JGNSZLYRFLVLML-SNVBAGLBSA-N -1 3 341.245 2.655 20 5 EFBDHM C[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])c1cccc(Br)n1 ZINC001225662153 1311561470 /nfs/dbraw/zinc/56/14/70/1311561470.db2.gz RBVCTINDFAUDNC-SSDOTTSWSA-N -1 3 340.133 2.993 20 5 EFBDHM C[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])c1cc(Br)no1 ZINC001225665411 1311561845 /nfs/dbraw/zinc/56/18/45/1311561845.db2.gz ZBIHFRDIQDRISO-RXMQYKEDSA-N -1 3 330.094 2.586 20 5 EFBDHM O=[N+]([O-])c1ccc2c(c1)C[C@H](Oc1[n-]c(=S)nc3c1CCC3)C2 ZINC001226297341 1311643758 /nfs/dbraw/zinc/64/37/58/1311643758.db2.gz JZLVUYWOOIYFKI-GFCCVEGCSA-N -1 3 329.381 2.708 20 5 EFBDHM O=[N+]([O-])c1ccccc1N1CCC(Oc2ccnc(=S)[n-]2)CC1 ZINC001226942435 1311744229 /nfs/dbraw/zinc/74/42/29/1311744229.db2.gz MCMFJJSMUOGZKS-UHFFFAOYSA-N -1 3 332.385 2.721 20 5 EFBDHM C[C@@H](C[NH+](C)C)Oc1cc2c([O-])c3c(=O)cccc-3oc2cc1[O-] ZINC001227307375 1311791822 /nfs/dbraw/zinc/79/18/22/1311791822.db2.gz WINUURRPHNXBRP-JTQLQIEISA-N -1 3 329.352 2.686 20 5 EFBDHM C[C@@H](C[N+](C)(C)C)Oc1cc2c([O-])c3c(=O)cccc-3oc2cc1[O-] ZINC001227309421 1311792288 /nfs/dbraw/zinc/79/22/88/1311792288.db2.gz LAXPNANMEFYQNQ-NSHDSACASA-O -1 3 344.387 2.831 20 5 EFBDHM COc1cc(O[C@@H]2CCOC2)c2c(c1)oc1c([O-])ccc(O)c1c2=O ZINC001227646119 1311835763 /nfs/dbraw/zinc/83/57/63/1311835763.db2.gz NRUIJUQWAZXCGT-SECBINFHSA-N -1 3 344.319 2.534 20 5 EFBDHM C[C@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)c1ccccc1[N+](=O)[O-] ZINC001227690992 1311839684 /nfs/dbraw/zinc/83/96/84/1311839684.db2.gz LQBGRIAIBNIHFI-QMMMGPOBSA-N -1 3 329.272 2.914 20 5 EFBDHM COC(=O)C[C@H]1CCC[C@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)C1 ZINC001227746806 1311849709 /nfs/dbraw/zinc/84/97/09/1311849709.db2.gz VIFLMOBQKJQNFF-JQWIXIFHSA-N -1 3 333.344 2.972 20 5 EFBDHM COC(=O)C[C@H]1CCC[C@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC001227746806 1311849713 /nfs/dbraw/zinc/84/97/13/1311849713.db2.gz VIFLMOBQKJQNFF-JQWIXIFHSA-N -1 3 333.344 2.972 20 5 EFBDHM Cc1cc2[n-]c(OC[C@@H]3COc4ccccc4O3)nc2cc1[N+](=O)[O-] ZINC001228672776 1311979455 /nfs/dbraw/zinc/97/94/55/1311979455.db2.gz AWUKPFOLIUZMEL-NSHDSACASA-N -1 3 341.323 2.998 20 5 EFBDHM Cc1[n-]c(=O)cc(O[C@@H](C)C(=O)OCc2ccccc2)c1[N+](=O)[O-] ZINC001228688505 1311982415 /nfs/dbraw/zinc/98/24/15/1311982415.db2.gz JMIFXDIKCXAGJA-NSHDSACASA-N -1 3 332.312 2.515 20 5 EFBDHM CC(C)N1CCC[C@H](Oc2[n-]c(C(F)(F)F)cc(=O)c2[N+](=O)[O-])C1 ZINC001228858086 1312011165 /nfs/dbraw/zinc/01/11/65/1312011165.db2.gz CFLNNCROPYGWMH-VIFPVBQESA-N -1 3 349.309 2.966 20 5 EFBDHM O=c1[nH][n-]cc1CCCNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001164374177 1312503450 /nfs/dbraw/zinc/50/34/50/1312503450.db2.gz JUYBJXICVWWMEL-MRVPVSSYSA-N -1 3 330.266 2.538 20 5 EFBDHM Cc1ccc([N-]c2nonc2-c2cn3ccncc3n2)cc1[N+](=O)[O-] ZINC001213663368 1314587843 /nfs/dbraw/zinc/58/78/43/1314587843.db2.gz BUTRCAGPJFZLGS-UHFFFAOYSA-N -1 3 337.299 2.740 20 5 EFBDHM COc1ccccc1-c1noc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2)n1 ZINC001247998511 1314879731 /nfs/dbraw/zinc/87/97/31/1314879731.db2.gz FXMCXEPONSLZPE-UHFFFAOYSA-N -1 3 340.295 2.906 20 5 EFBDHM Cc1cc(-c2noc(C(=O)[N-]c3ccc([N+](=O)[O-])cc3)n2)cc(C)n1 ZINC001247999684 1314879847 /nfs/dbraw/zinc/87/98/47/1314879847.db2.gz LCBPLMADUQLHFB-UHFFFAOYSA-N -1 3 339.311 2.909 20 5 EFBDHM Cc1cccc(-c2noc(C(=O)[N-]c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC001247999273 1314880075 /nfs/dbraw/zinc/88/00/75/1314880075.db2.gz KQPOZYRXNDTUGI-UHFFFAOYSA-N -1 3 325.284 2.601 20 5 EFBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nnc(Cc2ccc(Cl)cc2)o1 ZINC001254294078 1315692195 /nfs/dbraw/zinc/69/21/95/1315692195.db2.gz UUMQRXUIJICMJJ-UHFFFAOYSA-N -1 3 332.703 2.990 20 5 EFBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nnc(Cc2cccc(Cl)c2)o1 ZINC001254463303 1315706651 /nfs/dbraw/zinc/70/66/51/1315706651.db2.gz FPUPWOAOXUZZCA-UHFFFAOYSA-N -1 3 332.703 2.990 20 5 EFBDHM Cc1c([N-]S(=O)(=O)CCc2cccs2)cccc1[N+](=O)[O-] ZINC001261207336 1316396644 /nfs/dbraw/zinc/39/66/44/1316396644.db2.gz YZMFSKPMSVDSMT-UHFFFAOYSA-N -1 3 326.399 2.949 20 5 EFBDHM CCOc1ccc(CN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])cc1OC ZINC001329963057 1330756790 /nfs/dbraw/zinc/75/67/90/1330756790.db2.gz CMUPNGRTFHTHEL-UHFFFAOYSA-N -1 3 333.344 2.739 20 5 EFBDHM Cc1cc(=O)[n-]c(N2CCC[C@H](Nc3ccc(F)cc3[N+](=O)[O-])C2)n1 ZINC001332028243 1330906664 /nfs/dbraw/zinc/90/66/64/1330906664.db2.gz CWMCNORKBIYUPV-LBPRGKRZSA-N -1 3 347.350 2.619 20 5 EFBDHM Cc1nc2c(c(=O)[n-]1)CN(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])C2 ZINC001346069270 1332596790 /nfs/dbraw/zinc/59/67/90/1332596790.db2.gz SOVBSAITQWVYAH-UHFFFAOYSA-N -1 3 340.261 2.938 20 5 EFBDHM C[C@@H](NCc1ccc(F)cc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC000824617640 1424169549 /nfs/dbraw/zinc/16/95/49/1424169549.db2.gz IXKBFSOSHOYEIW-SNVBAGLBSA-N -1 3 342.334 2.765 20 5 EFBDHM C[C@@H](NCc1ccc(F)cc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000824617640 1424169555 /nfs/dbraw/zinc/16/95/55/1424169555.db2.gz IXKBFSOSHOYEIW-SNVBAGLBSA-N -1 3 342.334 2.765 20 5 EFBDHM C[C@H](NCc1cc(-c2nn[n-]n2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000820426827 1443689010 /nfs/dbraw/zinc/68/90/10/1443689010.db2.gz ODVVXIFOWSPIGS-VIFPVBQESA-N -1 3 330.373 2.687 20 5 EFBDHM O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C\c1ccc([O-])c(F)c1 ZINC000255143472 713892935 /nfs/dbraw/zinc/89/29/35/713892935.db2.gz OXJLCWJXDGPLEL-QPEQYQDCSA-N -1 3 328.255 2.784 20 5 EFBDHM CC(C)([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ncccn1 ZINC000891308351 714308358 /nfs/dbraw/zinc/30/83/58/714308358.db2.gz LWSJVKWCDRVINC-UHFFFAOYSA-N -1 3 336.298 2.528 20 5 EFBDHM O=C1[N-]C(=O)C(=CNc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc21 ZINC000255330648 714677529 /nfs/dbraw/zinc/67/75/29/714677529.db2.gz HOVNNOYPGRBUHL-WQLSENKSSA-N -1 3 343.726 2.971 20 5 EFBDHM CC[C@@H](C)CO[N-]C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000794861836 723865057 /nfs/dbraw/zinc/86/50/57/723865057.db2.gz AUEATQRLCJAALK-SECBINFHSA-N -1 3 345.193 2.994 20 5 EFBDHM CCS[C@@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821456658 945700739 /nfs/dbraw/zinc/70/07/39/945700739.db2.gz RNZKMWYKLRHWAS-CHWSQXEVSA-N -1 3 334.405 2.861 20 5 EFBDHM CCS[C@@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821456658 945700746 /nfs/dbraw/zinc/70/07/46/945700746.db2.gz RNZKMWYKLRHWAS-CHWSQXEVSA-N -1 3 334.405 2.861 20 5 EFBDHM CC(C)[C@@H]1CCC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001574088847 948937907 /nfs/dbraw/zinc/93/79/07/948937907.db2.gz FGLZFNKMXJOGDS-ZYHUDNBSSA-N -1 3 331.380 2.797 20 5 EFBDHM CC(C)[C@@H]1CCC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001574088847 948937918 /nfs/dbraw/zinc/93/79/18/948937918.db2.gz FGLZFNKMXJOGDS-ZYHUDNBSSA-N -1 3 331.380 2.797 20 5 EFBDHM CC1(C)C[C@H](CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C(C)(C)O1 ZINC001575639014 950849791 /nfs/dbraw/zinc/84/97/91/950849791.db2.gz MNESFIWBFCOLPP-LLVKDONJSA-N -1 3 346.391 2.781 20 5 EFBDHM CC1(C)C[C@H](CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C(C)(C)O1 ZINC001575639014 950849801 /nfs/dbraw/zinc/84/98/01/950849801.db2.gz MNESFIWBFCOLPP-LLVKDONJSA-N -1 3 346.391 2.781 20 5 EFBDHM CC(C)CN(CC(=O)[O-])Cc1ccc([N+](=O)[O-])cc1Br ZINC000062742853 957606251 /nfs/dbraw/zinc/60/62/51/957606251.db2.gz ICNVJEAANYFADZ-UHFFFAOYSA-N -1 3 345.193 2.900 20 5 EFBDHM CC(C)N(CC(=O)[O-])Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162332648 959208351 /nfs/dbraw/zinc/20/83/51/959208351.db2.gz DVYQLRPPLCLSFD-UHFFFAOYSA-N -1 3 331.166 2.652 20 5 EFBDHM C[C@@H](CN(C)Cc1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-] ZINC000162334395 959209021 /nfs/dbraw/zinc/20/90/21/959209021.db2.gz WCTHNASEPIOARS-QMMMGPOBSA-N -1 3 331.166 2.510 20 5 EFBDHM CC[C@@H](CNCc1c(Br)cccc1[N+](=O)[O-])C(=O)[O-] ZINC001603573329 973704423 /nfs/dbraw/zinc/70/44/23/973704423.db2.gz KFFQMXIPSNFDBL-QMMMGPOBSA-N -1 3 331.166 2.558 20 5 EFBDHM C[C@@H](CN(Cn1cc(-c2ccccc2[N+](=O)[O-])cn1)C1CC1)C(=O)[O-] ZINC001592609707 978557306 /nfs/dbraw/zinc/55/73/06/978557306.db2.gz JRVUMGKNXBBHMP-LBPRGKRZSA-N -1 3 344.371 2.601 20 5 EFBDHM O=C([O-])c1cnc([C@@H]2CCN(Cc3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000903928032 981047154 /nfs/dbraw/zinc/04/71/54/981047154.db2.gz OQPOFXAAVOQGAU-LLVKDONJSA-N -1 3 333.369 2.739 20 5 EFBDHM CCc1[nH]c(CN(C)CCc2ccccc2[N+](=O)[O-])cc1C(=O)[O-] ZINC001597380455 987573617 /nfs/dbraw/zinc/57/36/17/987573617.db2.gz LPCHEIWQHAQMOD-UHFFFAOYSA-N -1 3 331.372 2.858 20 5 EFBDHM CN(CCSc1nccc(C(=O)[O-])c1[N+](=O)[O-])Cc1ccccc1 ZINC001598500456 992428795 /nfs/dbraw/zinc/42/87/95/992428795.db2.gz ABLCYUHEHIZLQD-UHFFFAOYSA-N -1 3 347.396 2.912 20 5 EFBDHM CN(CCc1cccc([N+](=O)[O-])c1)Cc1ccc(/C=C/C(=O)[O-])o1 ZINC001598502479 992453175 /nfs/dbraw/zinc/45/31/75/992453175.db2.gz XWWWWTVIVSIRDH-BQYQJAHWSA-N -1 3 330.340 2.960 20 5 EFBDHM CC(C)N1CC[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)C1 ZINC001591622561 992888865 /nfs/dbraw/zinc/88/88/65/992888865.db2.gz FGYZZMHOOFXSHJ-VIFPVBQESA-N -1 3 327.768 2.841 20 5 EFBDHM C[C@@](NCCOCc1ccccc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593272132 994609185 /nfs/dbraw/zinc/60/91/85/994609185.db2.gz PIWNBNBVBABBKT-SFHVURJKSA-N -1 3 344.367 2.701 20 5 EFBDHM COc1cccc(C[C@@H](NCc2c(F)cccc2[N+](=O)[O-])C(=O)[O-])c1 ZINC001599670143 994796279 /nfs/dbraw/zinc/79/62/79/994796279.db2.gz PFEPILXZJVPBMS-OAHLLOKOSA-N -1 3 348.330 2.528 20 5 EFBDHM C[C@@](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)(C(=O)[O-])C1CC1 ZINC001593312373 994801214 /nfs/dbraw/zinc/80/12/14/994801214.db2.gz VAZXMABMVOBUPH-INIZCTEOSA-N -1 3 331.328 2.593 20 5 EFBDHM COc1cc(CN(CCC(=O)[O-])CC(C)C)c([N+](=O)[O-])cc1F ZINC001599406441 997314003 /nfs/dbraw/zinc/31/40/03/997314003.db2.gz FFSDDWFKTLBBIA-UHFFFAOYSA-N -1 3 328.340 2.675 20 5 EFBDHM CCC1(CC)CCCN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001577110876 1089663669 /nfs/dbraw/zinc/66/36/69/1089663669.db2.gz SDKLYRWQEWGTGN-UHFFFAOYSA-N -1 3 345.407 2.764 20 5 EFBDHM CCC1(CC)CCCN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001577110876 1089663691 /nfs/dbraw/zinc/66/36/91/1089663691.db2.gz SDKLYRWQEWGTGN-UHFFFAOYSA-N -1 3 345.407 2.764 20 5 EFBDHM CN(Cc1cc(-c2nnn[n-]2)cs1)Cc1ccc([N+](=O)[O-])cc1F ZINC001579242752 1090559173 /nfs/dbraw/zinc/55/91/73/1090559173.db2.gz BEFARSHFSDIEFY-UHFFFAOYSA-N -1 3 348.363 2.608 20 5 EFBDHM CN(Cc1cc(-c2nn[n-]n2)cs1)Cc1ccc([N+](=O)[O-])cc1F ZINC001579242752 1090559180 /nfs/dbraw/zinc/55/91/80/1090559180.db2.gz BEFARSHFSDIEFY-UHFFFAOYSA-N -1 3 348.363 2.608 20 5 EFBDHM COc1cc(Oc2cc(F)ccc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001579937145 1090727754 /nfs/dbraw/zinc/72/77/54/1090727754.db2.gz FGUUSEDTVYEQIS-UHFFFAOYSA-N -1 3 331.263 2.715 20 5 EFBDHM COc1cc(Oc2cc(F)ccc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001579937145 1090727758 /nfs/dbraw/zinc/72/77/58/1090727758.db2.gz FGUUSEDTVYEQIS-UHFFFAOYSA-N -1 3 331.263 2.715 20 5 EFBDHM Cc1c(OCCc2ccc(-c3nnn[n-]3)cc2)cccc1[N+](=O)[O-] ZINC001580561695 1090949979 /nfs/dbraw/zinc/94/99/79/1090949979.db2.gz KOIGHNWLHDIITI-UHFFFAOYSA-N -1 3 325.328 2.705 20 5 EFBDHM Cc1c(OCCc2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC001580561695 1090949983 /nfs/dbraw/zinc/94/99/83/1090949983.db2.gz KOIGHNWLHDIITI-UHFFFAOYSA-N -1 3 325.328 2.705 20 5 EFBDHM Cc1cc(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])cc(Cl)n1 ZINC001580928624 1091043522 /nfs/dbraw/zinc/04/35/22/1091043522.db2.gz UVMUSCGAHAMUMI-UHFFFAOYSA-N -1 3 345.750 2.744 20 5 EFBDHM Cc1cc(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])cc(Cl)n1 ZINC001580928624 1091043530 /nfs/dbraw/zinc/04/35/30/1091043530.db2.gz UVMUSCGAHAMUMI-UHFFFAOYSA-N -1 3 345.750 2.744 20 5 EFBDHM Cc1cc(Cl)cc(-c2nnn[n-]2)c1OCc1cccnc1[N+](=O)[O-] ZINC001580929109 1091044526 /nfs/dbraw/zinc/04/45/26/1091044526.db2.gz HSKPITKCQPBKSM-UHFFFAOYSA-N -1 3 346.734 2.711 20 5 EFBDHM Cc1cc(Cl)cc(-c2nn[n-]n2)c1OCc1cccnc1[N+](=O)[O-] ZINC001580929109 1091044532 /nfs/dbraw/zinc/04/45/32/1091044532.db2.gz HSKPITKCQPBKSM-UHFFFAOYSA-N -1 3 346.734 2.711 20 5 EFBDHM Cc1cc(N[C@H]2CC(C)(C)OC2(C)C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001581000720 1091059487 /nfs/dbraw/zinc/05/94/87/1091059487.db2.gz IXEMLLOKXBIOMQ-ZDUSSCGKSA-N -1 3 346.391 2.841 20 5 EFBDHM Cc1cc(N[C@H]2CC(C)(C)OC2(C)C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001581000720 1091059494 /nfs/dbraw/zinc/05/94/94/1091059494.db2.gz IXEMLLOKXBIOMQ-ZDUSSCGKSA-N -1 3 346.391 2.841 20 5 EFBDHM Cc1cc2ncn(Cc3c(-c4nnn[n-]4)cccc3[N+](=O)[O-])c2cc1C ZINC001581046323 1091067581 /nfs/dbraw/zinc/06/75/81/1091067581.db2.gz OWMUAMLVMFIJBT-UHFFFAOYSA-N -1 3 349.354 2.790 20 5 EFBDHM Cc1cc2ncn(Cc3c(-c4nn[n-]n4)cccc3[N+](=O)[O-])c2cc1C ZINC001581046323 1091067587 /nfs/dbraw/zinc/06/75/87/1091067587.db2.gz OWMUAMLVMFIJBT-UHFFFAOYSA-N -1 3 349.354 2.790 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NC[C@H]1CCCC1(F)F ZINC001582803858 1091668488 /nfs/dbraw/zinc/66/84/88/1091668488.db2.gz XMVATHVQSJGNQM-SSDOTTSWSA-N -1 3 342.281 2.761 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NC[C@H]1CCCC1(F)F ZINC001582803858 1091668494 /nfs/dbraw/zinc/66/84/94/1091668494.db2.gz XMVATHVQSJGNQM-SSDOTTSWSA-N -1 3 342.281 2.761 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCCc1cc2ccccc2[nH]1 ZINC001582804049 1091668726 /nfs/dbraw/zinc/66/87/26/1091668726.db2.gz GVSSVOFCCLXLPR-UHFFFAOYSA-N -1 3 349.354 2.911 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCCc1cc2ccccc2[nH]1 ZINC001582804049 1091668736 /nfs/dbraw/zinc/66/87/36/1091668736.db2.gz GVSSVOFCCLXLPR-UHFFFAOYSA-N -1 3 349.354 2.911 20 5 EFBDHM O=[N+]([O-])c1ccc2nc(N[C@]34C[C@H]3CCC4)cc(-c3nnn[n-]3)c2c1 ZINC001582804482 1091670255 /nfs/dbraw/zinc/67/02/55/1091670255.db2.gz UTSHQBNYZSYFMM-JDNHERCYSA-N -1 3 337.343 2.678 20 5 EFBDHM O=[N+]([O-])c1ccc2nc(N[C@]34C[C@H]3CCC4)cc(-c3nn[n-]n3)c2c1 ZINC001582804482 1091670259 /nfs/dbraw/zinc/67/02/59/1091670259.db2.gz UTSHQBNYZSYFMM-JDNHERCYSA-N -1 3 337.343 2.678 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CCC(C3CCC3)CC2)c(-c2nnn[n-]2)c1 ZINC001582804497 1091670532 /nfs/dbraw/zinc/67/05/32/1091670532.db2.gz VHCUMHMHAMTGJU-UHFFFAOYSA-N -1 3 328.376 2.791 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CCC(C3CCC3)CC2)c(-c2nn[n-]n2)c1 ZINC001582804497 1091670536 /nfs/dbraw/zinc/67/05/36/1091670536.db2.gz VHCUMHMHAMTGJU-UHFFFAOYSA-N -1 3 328.376 2.791 20 5 EFBDHM CC1(C(=O)NCC2(Nc3cc[n-]c(=O)c3[N+](=O)[O-])CCCC2)CCC1 ZINC001104420780 1092942103 /nfs/dbraw/zinc/94/21/03/1092942103.db2.gz JXQLTNVAUVZNKV-UHFFFAOYSA-N -1 3 348.403 2.727 20 5 EFBDHM C[C@H](C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C(C)(C)C ZINC001589030524 1093019466 /nfs/dbraw/zinc/01/94/66/1093019466.db2.gz MWJSQHURYDHKHE-SECBINFHSA-N -1 3 333.348 2.500 20 5 EFBDHM C[C@H](C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C(C)(C)C ZINC001589030524 1093019471 /nfs/dbraw/zinc/01/94/71/1093019471.db2.gz MWJSQHURYDHKHE-SECBINFHSA-N -1 3 333.348 2.500 20 5 EFBDHM CC(C)(C)c1coc(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])n1 ZINC001589234442 1093052169 /nfs/dbraw/zinc/05/21/69/1093052169.db2.gz RPQIOCHMLPUTTE-UHFFFAOYSA-N -1 3 343.347 2.673 20 5 EFBDHM CC(C)(C)c1coc(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])n1 ZINC001589234442 1093052174 /nfs/dbraw/zinc/05/21/74/1093052174.db2.gz RPQIOCHMLPUTTE-UHFFFAOYSA-N -1 3 343.347 2.673 20 5 EFBDHM CC(C)(CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])CC(F)F ZINC001589288780 1093066248 /nfs/dbraw/zinc/06/62/48/1093066248.db2.gz RWRHDBIMUXJIQQ-UHFFFAOYSA-N -1 3 326.307 2.868 20 5 EFBDHM CC(C)(CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])CC(F)F ZINC001589288780 1093066258 /nfs/dbraw/zinc/06/62/58/1093066258.db2.gz RWRHDBIMUXJIQQ-UHFFFAOYSA-N -1 3 326.307 2.868 20 5 EFBDHM CC(C)(CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1(O)CCCC1 ZINC001589287782 1093066312 /nfs/dbraw/zinc/06/63/12/1093066312.db2.gz GAEZDIRFJWLMFW-UHFFFAOYSA-N -1 3 346.391 2.518 20 5 EFBDHM CC(C)(CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C1(O)CCCC1 ZINC001589287782 1093066319 /nfs/dbraw/zinc/06/63/19/1093066319.db2.gz GAEZDIRFJWLMFW-UHFFFAOYSA-N -1 3 346.391 2.518 20 5 EFBDHM CC(C)[C@@H]1[C@@H](C(C)C)CN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001589517209 1093101590 /nfs/dbraw/zinc/10/15/90/1093101590.db2.gz LPPIZDRCQNWIFY-UKRRQHHQSA-N -1 3 330.392 2.892 20 5 EFBDHM CC(C)[C@@H]1[C@@H](C(C)C)CN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001589517209 1093101595 /nfs/dbraw/zinc/10/15/95/1093101595.db2.gz LPPIZDRCQNWIFY-UKRRQHHQSA-N -1 3 330.392 2.892 20 5 EFBDHM CC(C)[C@H]1OCCC[C@H]1CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589520948 1093103602 /nfs/dbraw/zinc/10/36/02/1093103602.db2.gz LTNCEWORXLENIJ-XHDPSFHLSA-N -1 3 346.391 2.638 20 5 EFBDHM CC(C)[C@H]1OCCC[C@H]1CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589520948 1093103606 /nfs/dbraw/zinc/10/36/06/1093103606.db2.gz LTNCEWORXLENIJ-XHDPSFHLSA-N -1 3 346.391 2.638 20 5 EFBDHM CC(C)C[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CCO1 ZINC001589571231 1093108482 /nfs/dbraw/zinc/10/84/82/1093108482.db2.gz GZYNXTCZSGHYQM-STQMWFEESA-N -1 3 346.391 2.781 20 5 EFBDHM CC(C)C[C@@H]1OCCC[C@@H]1Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001589573354 1093109132 /nfs/dbraw/zinc/10/91/32/1093109132.db2.gz JSJPEVZMGLHYLO-ZFWWWQNUSA-N -1 3 346.391 2.781 20 5 EFBDHM CC(C)O[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1(C)C ZINC001589738980 1093131851 /nfs/dbraw/zinc/13/18/51/1093131851.db2.gz BDKUFFKTBHNZLZ-UONOGXRCSA-N -1 3 346.391 2.779 20 5 EFBDHM CC(C)c1c[nH]c(Sc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])n1 ZINC001589765125 1093137964 /nfs/dbraw/zinc/13/79/64/1093137964.db2.gz MKAPIKLDNCZRSN-UHFFFAOYSA-N -1 3 331.361 2.773 20 5 EFBDHM CC(C)c1c[nH]c(Sc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC001589765125 1093137968 /nfs/dbraw/zinc/13/79/68/1093137968.db2.gz MKAPIKLDNCZRSN-UHFFFAOYSA-N -1 3 331.361 2.773 20 5 EFBDHM C[C@@H](CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)CC(F)(F)F ZINC001589876577 1093162578 /nfs/dbraw/zinc/16/25/78/1093162578.db2.gz GNLRJNIPOCWXGN-SSDOTTSWSA-N -1 3 330.270 2.775 20 5 EFBDHM C[C@@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)C1(C)CC1 ZINC001589978213 1093207315 /nfs/dbraw/zinc/20/73/15/1093207315.db2.gz IXHKWADBHKLGAJ-SECBINFHSA-N -1 3 339.359 2.924 20 5 EFBDHM C[C@@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)C1(C)CC1 ZINC001589978213 1093207321 /nfs/dbraw/zinc/20/73/21/1093207321.db2.gz IXHKWADBHKLGAJ-SECBINFHSA-N -1 3 339.359 2.924 20 5 EFBDHM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001590013869 1093223044 /nfs/dbraw/zinc/22/30/44/1093223044.db2.gz TZATWESELWJLEH-JTQLQIEISA-N -1 3 339.311 2.693 20 5 EFBDHM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001590013869 1093223047 /nfs/dbraw/zinc/22/30/47/1093223047.db2.gz TZATWESELWJLEH-JTQLQIEISA-N -1 3 339.311 2.693 20 5 EFBDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001590048451 1093243458 /nfs/dbraw/zinc/24/34/58/1093243458.db2.gz HJIFOFRACGURPT-LLVKDONJSA-N -1 3 336.355 2.899 20 5 EFBDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001590048451 1093243462 /nfs/dbraw/zinc/24/34/62/1093243462.db2.gz HJIFOFRACGURPT-LLVKDONJSA-N -1 3 336.355 2.899 20 5 EFBDHM CC1(C)CC[C@H](CCNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])OC1 ZINC001590089386 1093259448 /nfs/dbraw/zinc/25/94/48/1093259448.db2.gz NSCZIVINTSMQEX-LLVKDONJSA-N -1 3 346.391 2.782 20 5 EFBDHM CC1(C)CC[C@H](CCNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])OC1 ZINC001590089386 1093259453 /nfs/dbraw/zinc/25/94/53/1093259453.db2.gz NSCZIVINTSMQEX-LLVKDONJSA-N -1 3 346.391 2.782 20 5 EFBDHM CC1(C)CCC[C@H]1CCNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590094590 1093264753 /nfs/dbraw/zinc/26/47/53/1093264753.db2.gz CUFUKBFAAAGDEX-NSHDSACASA-N -1 3 331.380 2.798 20 5 EFBDHM CC1(C)CCC[C@H]1CCNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590094590 1093264758 /nfs/dbraw/zinc/26/47/58/1093264758.db2.gz CUFUKBFAAAGDEX-NSHDSACASA-N -1 3 331.380 2.798 20 5 EFBDHM CC1(CC(F)(F)F)CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001590123205 1093276319 /nfs/dbraw/zinc/27/63/19/1093276319.db2.gz GWLODRNLPVLOIT-UHFFFAOYSA-N -1 3 342.281 2.554 20 5 EFBDHM CC1(CC(F)(F)F)CN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001590123205 1093276325 /nfs/dbraw/zinc/27/63/25/1093276325.db2.gz GWLODRNLPVLOIT-UHFFFAOYSA-N -1 3 342.281 2.554 20 5 EFBDHM CC1(CC(F)(F)F)CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001590123201 1093276798 /nfs/dbraw/zinc/27/67/98/1093276798.db2.gz GNCRGJQTTQCOGX-UHFFFAOYSA-N -1 3 342.281 2.554 20 5 EFBDHM CC1(CC(F)(F)F)CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001590123201 1093276805 /nfs/dbraw/zinc/27/68/05/1093276805.db2.gz GNCRGJQTTQCOGX-UHFFFAOYSA-N -1 3 342.281 2.554 20 5 EFBDHM C[C@]1(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1(Cl)Cl ZINC001590133390 1093280294 /nfs/dbraw/zinc/28/02/94/1093280294.db2.gz AYSFJXWXHKFSMZ-LLVKDONJSA-N -1 3 343.174 2.771 20 5 EFBDHM C[C@]1(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1(Cl)Cl ZINC001590133390 1093280297 /nfs/dbraw/zinc/28/02/97/1093280297.db2.gz AYSFJXWXHKFSMZ-LLVKDONJSA-N -1 3 343.174 2.771 20 5 EFBDHM C[C@]1(CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])CCCS1 ZINC001590134420 1093283538 /nfs/dbraw/zinc/28/35/38/1093283538.db2.gz ZMWDDTUPSCKRRX-CYBMUJFWSA-N -1 3 338.368 2.612 20 5 EFBDHM C[C@]1(CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])CCCS1 ZINC001590134420 1093283544 /nfs/dbraw/zinc/28/35/44/1093283544.db2.gz ZMWDDTUPSCKRRX-CYBMUJFWSA-N -1 3 338.368 2.612 20 5 EFBDHM C[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c2ccccc21 ZINC001590309222 1093367508 /nfs/dbraw/zinc/36/75/08/1093367508.db2.gz LZOYQORANKQEQR-LLVKDONJSA-N -1 3 336.355 2.899 20 5 EFBDHM C[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c2ccccc21 ZINC001590309222 1093367517 /nfs/dbraw/zinc/36/75/17/1093367517.db2.gz LZOYQORANKQEQR-LLVKDONJSA-N -1 3 336.355 2.899 20 5 EFBDHM C[C@@H]1CN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])CC(C)(C)C1 ZINC001590315965 1093372605 /nfs/dbraw/zinc/37/26/05/1093372605.db2.gz ZUMXVLPXVLMNPS-VIFPVBQESA-N -1 3 334.355 2.786 20 5 EFBDHM C[C@@H]1CN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])CC(C)(C)C1 ZINC001590315965 1093372620 /nfs/dbraw/zinc/37/26/20/1093372620.db2.gz ZUMXVLPXVLMNPS-VIFPVBQESA-N -1 3 334.355 2.786 20 5 EFBDHM C/C=C/C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001590354405 1093391192 /nfs/dbraw/zinc/39/11/92/1093391192.db2.gz LKGQLGKETVAIKZ-JDGPPOGSSA-N -1 3 328.376 2.958 20 5 EFBDHM C/C=C/C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001590354405 1093391200 /nfs/dbraw/zinc/39/12/00/1093391200.db2.gz LKGQLGKETVAIKZ-JDGPPOGSSA-N -1 3 328.376 2.958 20 5 EFBDHM CC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@H]1CCCCO1 ZINC001590472753 1093445647 /nfs/dbraw/zinc/44/56/47/1093445647.db2.gz HFFWANALSAPASX-TZMCWYRMSA-N -1 3 332.364 2.535 20 5 EFBDHM CC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@H]1CCCCO1 ZINC001590472753 1093445650 /nfs/dbraw/zinc/44/56/50/1093445650.db2.gz HFFWANALSAPASX-TZMCWYRMSA-N -1 3 332.364 2.535 20 5 EFBDHM CC[C@@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1nccs1 ZINC001590473581 1093446529 /nfs/dbraw/zinc/44/65/29/1093446529.db2.gz QKESXDRCMFFIBQ-SNVBAGLBSA-N -1 3 331.361 2.795 20 5 EFBDHM CCC[C@@H](O)CCCSc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001590559659 1093485218 /nfs/dbraw/zinc/48/52/18/1093485218.db2.gz ISSNQDBMEGFSTA-LLVKDONJSA-N -1 3 337.405 2.808 20 5 EFBDHM CCC[C@@H](O)CCCSc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001590559659 1093485227 /nfs/dbraw/zinc/48/52/27/1093485227.db2.gz ISSNQDBMEGFSTA-LLVKDONJSA-N -1 3 337.405 2.808 20 5 EFBDHM CCC[C@]1(C)CCCN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001590563291 1093488974 /nfs/dbraw/zinc/48/89/74/1093488974.db2.gz DCLYWSVSLBWKKW-MRXNPFEDSA-N -1 3 345.407 2.764 20 5 EFBDHM CCC[C@]1(C)CCCN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001590563291 1093488984 /nfs/dbraw/zinc/48/89/84/1093488984.db2.gz DCLYWSVSLBWKKW-MRXNPFEDSA-N -1 3 345.407 2.764 20 5 EFBDHM CCN(c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)C(C)C ZINC001590723599 1093557691 /nfs/dbraw/zinc/55/76/91/1093557691.db2.gz UDQZFQDCKGQNOW-UHFFFAOYSA-N -1 3 327.348 2.558 20 5 EFBDHM CCN(c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)C(C)C ZINC001590723599 1093557698 /nfs/dbraw/zinc/55/76/98/1093557698.db2.gz UDQZFQDCKGQNOW-UHFFFAOYSA-N -1 3 327.348 2.558 20 5 EFBDHM CCNc1ccc(Nc2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)cn1 ZINC001590748122 1093560876 /nfs/dbraw/zinc/56/08/76/1093560876.db2.gz GBQXQXURDZADCL-UHFFFAOYSA-N -1 3 340.347 2.654 20 5 EFBDHM CCNc1ccc(Nc2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)cn1 ZINC001590748122 1093560880 /nfs/dbraw/zinc/56/08/80/1093560880.db2.gz GBQXQXURDZADCL-UHFFFAOYSA-N -1 3 340.347 2.654 20 5 EFBDHM CCOc1cc(COc2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC001590827290 1093584388 /nfs/dbraw/zinc/58/43/88/1093584388.db2.gz ZJRVTYKLFCBMFT-UHFFFAOYSA-N -1 3 341.327 2.753 20 5 EFBDHM CCOc1cc(COc2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC001590827290 1093584394 /nfs/dbraw/zinc/58/43/94/1093584394.db2.gz ZJRVTYKLFCBMFT-UHFFFAOYSA-N -1 3 341.327 2.753 20 5 EFBDHM CCOc1ccc([N+](=O)[O-])cc1C=Cc1ccncc1-c1nnn[n-]1 ZINC001590839882 1093591961 /nfs/dbraw/zinc/59/19/61/1093591961.db2.gz IJUUWULXDZLCAI-ONEGZZNKSA-N -1 3 338.327 2.739 20 5 EFBDHM CCOc1ccc([N+](=O)[O-])cc1C=Cc1ccncc1-c1nn[n-]n1 ZINC001590839882 1093591968 /nfs/dbraw/zinc/59/19/68/1093591968.db2.gz IJUUWULXDZLCAI-ONEGZZNKSA-N -1 3 338.327 2.739 20 5 EFBDHM CCc1ccc(CCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC001590887365 1093615638 /nfs/dbraw/zinc/61/56/38/1093615638.db2.gz HAECNQFBPPUHDP-UHFFFAOYSA-N -1 3 338.371 2.992 20 5 EFBDHM CCc1ccc(CCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC001590887365 1093615644 /nfs/dbraw/zinc/61/56/44/1093615644.db2.gz HAECNQFBPPUHDP-UHFFFAOYSA-N -1 3 338.371 2.992 20 5 EFBDHM CN(C)c1ccc(Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])cc1F ZINC001591033687 1093656962 /nfs/dbraw/zinc/65/69/62/1093656962.db2.gz ZHRQSYCLISRXEQ-UHFFFAOYSA-N -1 3 343.322 2.724 20 5 EFBDHM CN(C)c1ccc(Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])cc1F ZINC001591033687 1093656965 /nfs/dbraw/zinc/65/69/65/1093656965.db2.gz ZHRQSYCLISRXEQ-UHFFFAOYSA-N -1 3 343.322 2.724 20 5 EFBDHM CN(CCc1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1F ZINC001591120361 1093662788 /nfs/dbraw/zinc/66/27/88/1093662788.db2.gz CCWLURVESDIENK-UHFFFAOYSA-N -1 3 342.334 2.593 20 5 EFBDHM CN(CCc1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1F ZINC001591120361 1093662790 /nfs/dbraw/zinc/66/27/90/1093662790.db2.gz CCWLURVESDIENK-UHFFFAOYSA-N -1 3 342.334 2.593 20 5 EFBDHM CN(Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001591126421 1093664544 /nfs/dbraw/zinc/66/45/44/1093664544.db2.gz VFZMHRNULWKCIX-UHFFFAOYSA-N -1 3 328.307 2.550 20 5 EFBDHM CN(Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001591126421 1093664549 /nfs/dbraw/zinc/66/45/49/1093664549.db2.gz VFZMHRNULWKCIX-UHFFFAOYSA-N -1 3 328.307 2.550 20 5 EFBDHM CN(CCc1cccc(-c2nnn[n-]2)c1)c1c(F)cccc1[N+](=O)[O-] ZINC001591121841 1093665149 /nfs/dbraw/zinc/66/51/49/1093665149.db2.gz YKMQXXKCRZGOIY-UHFFFAOYSA-N -1 3 342.334 2.593 20 5 EFBDHM CN(CCc1cccc(-c2nn[n-]n2)c1)c1c(F)cccc1[N+](=O)[O-] ZINC001591121841 1093665150 /nfs/dbraw/zinc/66/51/50/1093665150.db2.gz YKMQXXKCRZGOIY-UHFFFAOYSA-N -1 3 342.334 2.593 20 5 EFBDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC001591136400 1093668300 /nfs/dbraw/zinc/66/83/00/1093668300.db2.gz ZIFVAOVHLJUBTJ-UHFFFAOYSA-N -1 3 342.334 2.546 20 5 EFBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC001591136400 1093668302 /nfs/dbraw/zinc/66/83/02/1093668302.db2.gz ZIFVAOVHLJUBTJ-UHFFFAOYSA-N -1 3 342.334 2.546 20 5 EFBDHM CN(Cc1ccc(-c2nnn[n-]2)cc1F)Cc1ccccc1[N+](=O)[O-] ZINC001591136836 1093670603 /nfs/dbraw/zinc/67/06/03/1093670603.db2.gz KUJNMCPVQUOSAG-UHFFFAOYSA-N -1 3 342.334 2.546 20 5 EFBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1F)Cc1ccccc1[N+](=O)[O-] ZINC001591136836 1093670605 /nfs/dbraw/zinc/67/06/05/1093670605.db2.gz KUJNMCPVQUOSAG-UHFFFAOYSA-N -1 3 342.334 2.546 20 5 EFBDHM CN(c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC001591155934 1093676417 /nfs/dbraw/zinc/67/64/17/1093676417.db2.gz YEPXJSWCJKTKRZ-CQSZACIVSA-N -1 3 336.355 2.899 20 5 EFBDHM CN(c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC001591155934 1093676420 /nfs/dbraw/zinc/67/64/20/1093676420.db2.gz YEPXJSWCJKTKRZ-CQSZACIVSA-N -1 3 336.355 2.899 20 5 EFBDHM CO[C@H](CNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1)CC(C)C ZINC001591328431 1093693312 /nfs/dbraw/zinc/69/33/12/1093693312.db2.gz DKNAUSMMVBYABM-NSHDSACASA-N -1 3 334.380 2.556 20 5 EFBDHM CO[C@H](CNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1)CC(C)C ZINC001591328431 1093693315 /nfs/dbraw/zinc/69/33/15/1093693315.db2.gz DKNAUSMMVBYABM-NSHDSACASA-N -1 3 334.380 2.556 20 5 EFBDHM COCc1cccc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001591457894 1093727768 /nfs/dbraw/zinc/72/77/68/1093727768.db2.gz UPWOCXFUNSNPPP-UHFFFAOYSA-N -1 3 340.343 2.533 20 5 EFBDHM COCc1cccc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001591457894 1093727776 /nfs/dbraw/zinc/72/77/76/1093727776.db2.gz UPWOCXFUNSNPPP-UHFFFAOYSA-N -1 3 340.343 2.533 20 5 EFBDHM COc1cc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc(OC)c1 ZINC001591547740 1093763766 /nfs/dbraw/zinc/76/37/66/1093763766.db2.gz LDPSXNJRAQOSFD-UHFFFAOYSA-N -1 3 342.315 2.536 20 5 EFBDHM COc1cc(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc(OC)c1 ZINC001591547740 1093763772 /nfs/dbraw/zinc/76/37/72/1093763772.db2.gz LDPSXNJRAQOSFD-UHFFFAOYSA-N -1 3 342.315 2.536 20 5 EFBDHM COc1cc(Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])ccc1F ZINC001591547858 1093763894 /nfs/dbraw/zinc/76/38/94/1093763894.db2.gz RBCPTGHFNPYNQQ-UHFFFAOYSA-N -1 3 330.279 2.666 20 5 EFBDHM COc1cc(Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])ccc1F ZINC001591547858 1093763901 /nfs/dbraw/zinc/76/39/01/1093763901.db2.gz RBCPTGHFNPYNQQ-UHFFFAOYSA-N -1 3 330.279 2.666 20 5 EFBDHM COc1cc(Oc2ccc(F)cc2[N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001591555165 1093766324 /nfs/dbraw/zinc/76/63/24/1093766324.db2.gz SBBKFIFLKHUIBU-UHFFFAOYSA-N -1 3 331.263 2.715 20 5 EFBDHM COc1cc(Oc2ccc(F)cc2[N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001591555165 1093766326 /nfs/dbraw/zinc/76/63/26/1093766326.db2.gz SBBKFIFLKHUIBU-UHFFFAOYSA-N -1 3 331.263 2.715 20 5 EFBDHM COc1cc(OCc2ccc([N+](=O)[O-])c(F)c2)ccc1-c1nnn[n-]1 ZINC001591553074 1093768081 /nfs/dbraw/zinc/76/80/81/1093768081.db2.gz TXOIOXMOXVCHNE-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1cc(OCc2ccc([N+](=O)[O-])c(F)c2)ccc1-c1nn[n-]n1 ZINC001591553074 1093768090 /nfs/dbraw/zinc/76/80/90/1093768090.db2.gz TXOIOXMOXVCHNE-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1OCc1ccc(C)c(-c2nnn[n-]2)c1 ZINC001591555692 1093768649 /nfs/dbraw/zinc/76/86/49/1093768649.db2.gz WZVFUPOJCYEVLR-UHFFFAOYSA-N -1 3 341.327 2.671 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1OCc1ccc(C)c(-c2nn[n-]n2)c1 ZINC001591555692 1093768654 /nfs/dbraw/zinc/76/86/54/1093768654.db2.gz WZVFUPOJCYEVLR-UHFFFAOYSA-N -1 3 341.327 2.671 20 5 EFBDHM COc1ccc(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c(C)c1 ZINC001591600913 1093787994 /nfs/dbraw/zinc/78/79/94/1093787994.db2.gz AUXKGKDKVFDYPY-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM COc1ccc(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c(C)c1 ZINC001591600913 1093788001 /nfs/dbraw/zinc/78/80/01/1093788001.db2.gz AUXKGKDKVFDYPY-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM CS[C@@H]1CC[C@H](Nc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001591689041 1093824345 /nfs/dbraw/zinc/82/43/45/1093824345.db2.gz BIJDDSYJXCKKGH-JGVFFNPUSA-N -1 3 338.368 2.610 20 5 EFBDHM CS[C@@H]1CC[C@H](Nc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001591689041 1093824348 /nfs/dbraw/zinc/82/43/48/1093824348.db2.gz BIJDDSYJXCKKGH-JGVFFNPUSA-N -1 3 338.368 2.610 20 5 EFBDHM CS[C@@H]1CCCCN(c2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001591689377 1093825119 /nfs/dbraw/zinc/82/51/19/1093825119.db2.gz FAGQDFOOMIJFLY-LLVKDONJSA-N -1 3 348.432 2.805 20 5 EFBDHM CS[C@@H]1CCCCN(c2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001591689377 1093825124 /nfs/dbraw/zinc/82/51/24/1093825124.db2.gz FAGQDFOOMIJFLY-LLVKDONJSA-N -1 3 348.432 2.805 20 5 EFBDHM C[C@H](OC(=O)c1ccc([N+](=O)[O-])s1)c1cccc(-c2nnn[n-]2)c1 ZINC001591771006 1093855047 /nfs/dbraw/zinc/85/50/47/1093855047.db2.gz HYDVEYAVXWYECK-QMMMGPOBSA-N -1 3 345.340 2.754 20 5 EFBDHM C[C@H](OC(=O)c1ccc([N+](=O)[O-])s1)c1cccc(-c2nn[n-]n2)c1 ZINC001591771006 1093855051 /nfs/dbraw/zinc/85/50/51/1093855051.db2.gz HYDVEYAVXWYECK-QMMMGPOBSA-N -1 3 345.340 2.754 20 5 EFBDHM Cc1c(NC(=O)c2cccc(-c3nnn[n-]3)c2C)cccc1[N+](=O)[O-] ZINC001591812105 1093868733 /nfs/dbraw/zinc/86/87/33/1093868733.db2.gz BQYGEYBUQWWJAM-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM Cc1c(NC(=O)c2cccc(-c3nn[n-]n3)c2C)cccc1[N+](=O)[O-] ZINC001591812105 1093868736 /nfs/dbraw/zinc/86/87/36/1093868736.db2.gz BQYGEYBUQWWJAM-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM Cc1cc(-c2nn[n-]n2)ccc1Oc1nc2sccn2c1[N+](=O)[O-] ZINC001591873268 1093906549 /nfs/dbraw/zinc/90/65/49/1093906549.db2.gz JXERDXBGGAJWMZ-UHFFFAOYSA-N -1 3 343.328 2.585 20 5 EFBDHM Cc1cc(F)c(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c(F)c1 ZINC001591988470 1093948864 /nfs/dbraw/zinc/94/88/64/1093948864.db2.gz XOAAUWVHJXGVRT-UHFFFAOYSA-N -1 3 346.297 2.974 20 5 EFBDHM Cc1cc(F)c(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c(F)c1 ZINC001591988470 1093948868 /nfs/dbraw/zinc/94/88/68/1093948868.db2.gz XOAAUWVHJXGVRT-UHFFFAOYSA-N -1 3 346.297 2.974 20 5 EFBDHM Cc1cc(NC[C@H]2CCC(C)(C)CO2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592043333 1093965259 /nfs/dbraw/zinc/96/52/59/1093965259.db2.gz DQSXUABKPWCQSN-LLVKDONJSA-N -1 3 346.391 2.700 20 5 EFBDHM Cc1cc(NC[C@H]2CCC(C)(C)CO2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592043333 1093965262 /nfs/dbraw/zinc/96/52/62/1093965262.db2.gz DQSXUABKPWCQSN-LLVKDONJSA-N -1 3 346.391 2.700 20 5 EFBDHM Cc1cc(NC[C@H]2CCC(F)(F)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592043663 1093965822 /nfs/dbraw/zinc/96/58/22/1093965822.db2.gz JDMHGHRZSNMDQT-VIFPVBQESA-N -1 3 338.318 2.931 20 5 EFBDHM Cc1cc(NC[C@H]2CCC(F)(F)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592043663 1093965826 /nfs/dbraw/zinc/96/58/26/1093965826.db2.gz JDMHGHRZSNMDQT-VIFPVBQESA-N -1 3 338.318 2.931 20 5 EFBDHM Cc1cc(NC[C@H]2Cc3ccccc32)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592045380 1093965839 /nfs/dbraw/zinc/96/58/39/1093965839.db2.gz RHLODUQLELBCQD-GFCCVEGCSA-N -1 3 336.355 2.835 20 5 EFBDHM Cc1cc(NC[C@H]2Cc3ccccc32)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592045380 1093965843 /nfs/dbraw/zinc/96/58/43/1093965843.db2.gz RHLODUQLELBCQD-GFCCVEGCSA-N -1 3 336.355 2.835 20 5 EFBDHM Cc1cc(NCC[C@H]2CCCS2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592046887 1093966248 /nfs/dbraw/zinc/96/62/48/1093966248.db2.gz XMDDDFKQOLMKEB-SNVBAGLBSA-N -1 3 334.405 2.781 20 5 EFBDHM Cc1cc(NCC[C@H]2CCCS2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592046887 1093966252 /nfs/dbraw/zinc/96/62/52/1093966252.db2.gz XMDDDFKQOLMKEB-SNVBAGLBSA-N -1 3 334.405 2.781 20 5 EFBDHM Cc1cc(NCCC[C@H]2CCCCO2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592048080 1093966964 /nfs/dbraw/zinc/96/69/64/1093966964.db2.gz VMPXXHFXUHOLQE-GFCCVEGCSA-N -1 3 346.391 2.845 20 5 EFBDHM Cc1cc(NCCC[C@H]2CCCCO2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592048080 1093966970 /nfs/dbraw/zinc/96/69/70/1093966970.db2.gz VMPXXHFXUHOLQE-GFCCVEGCSA-N -1 3 346.391 2.845 20 5 EFBDHM Cc1cc(NCCc2cccs2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592050935 1093967683 /nfs/dbraw/zinc/96/76/83/1093967683.db2.gz GHBFZWKDNSKLES-UHFFFAOYSA-N -1 3 330.373 2.799 20 5 EFBDHM Cc1cc(NCCc2cccs2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592050935 1093967686 /nfs/dbraw/zinc/96/76/86/1093967686.db2.gz GHBFZWKDNSKLES-UHFFFAOYSA-N -1 3 330.373 2.799 20 5 EFBDHM Cc1cc(OCCOc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC001592059554 1093971257 /nfs/dbraw/zinc/97/12/57/1093971257.db2.gz PGYAEMGILQPFIG-UHFFFAOYSA-N -1 3 341.327 2.541 20 5 EFBDHM Cc1cc(OCCc2ccc(-c3nnn[n-]3)cc2)c(F)cc1[N+](=O)[O-] ZINC001592059103 1093971398 /nfs/dbraw/zinc/97/13/98/1093971398.db2.gz LRTFJPBKPQMCOS-UHFFFAOYSA-N -1 3 343.318 2.844 20 5 EFBDHM Cc1cc(OCCc2ccc(-c3nn[n-]n3)cc2)c(F)cc1[N+](=O)[O-] ZINC001592059103 1093971402 /nfs/dbraw/zinc/97/14/02/1093971402.db2.gz LRTFJPBKPQMCOS-UHFFFAOYSA-N -1 3 343.318 2.844 20 5 EFBDHM Cc1cc(Oc2ccc(Cl)cc2[N+](=O)[O-])ncc1-c1nnn[n-]1 ZINC001592062284 1093971902 /nfs/dbraw/zinc/97/19/02/1093971902.db2.gz HFNHWTQKUCHNOO-UHFFFAOYSA-N -1 3 332.707 2.924 20 5 EFBDHM Cc1cc(Oc2ccc(Cl)cc2[N+](=O)[O-])ncc1-c1nn[n-]n1 ZINC001592062284 1093971907 /nfs/dbraw/zinc/97/19/07/1093971907.db2.gz HFNHWTQKUCHNOO-UHFFFAOYSA-N -1 3 332.707 2.924 20 5 EFBDHM Cc1cc(Oc2ccc(C=O)c(F)c2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592062577 1093972171 /nfs/dbraw/zinc/97/21/71/1093972171.db2.gz LVRQGBGZRYOOIF-UHFFFAOYSA-N -1 3 343.274 2.827 20 5 EFBDHM Cc1cc(Oc2ccc(C=O)c(F)c2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592062577 1093972173 /nfs/dbraw/zinc/97/21/73/1093972173.db2.gz LVRQGBGZRYOOIF-UHFFFAOYSA-N -1 3 343.274 2.827 20 5 EFBDHM Cc1cc(Oc2ccc([N+](=O)[O-])c(Cl)c2)ncc1-c1nnn[n-]1 ZINC001592062777 1093972290 /nfs/dbraw/zinc/97/22/90/1093972290.db2.gz PNGAAZBNGMUWOC-UHFFFAOYSA-N -1 3 332.707 2.924 20 5 EFBDHM Cc1cc(Oc2ccc([N+](=O)[O-])c(Cl)c2)ncc1-c1nn[n-]n1 ZINC001592062777 1093972293 /nfs/dbraw/zinc/97/22/93/1093972293.db2.gz PNGAAZBNGMUWOC-UHFFFAOYSA-N -1 3 332.707 2.924 20 5 EFBDHM Cc1ccc(-c2nnn[n-]2)cc1NCc1c(F)cc([N+](=O)[O-])cc1F ZINC001592107637 1093983200 /nfs/dbraw/zinc/98/32/00/1093983200.db2.gz HKTAZCHYAKYRAV-UHFFFAOYSA-N -1 3 346.297 2.974 20 5 EFBDHM Cc1ccc(-c2nn[n-]n2)cc1NCc1c(F)cc([N+](=O)[O-])cc1F ZINC001592107637 1093983202 /nfs/dbraw/zinc/98/32/02/1093983202.db2.gz HKTAZCHYAKYRAV-UHFFFAOYSA-N -1 3 346.297 2.974 20 5 EFBDHM Cc1ccc(F)c(CN(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC001592173780 1094016105 /nfs/dbraw/zinc/01/61/05/1094016105.db2.gz OFLZTLIUTBEWKN-UHFFFAOYSA-N -1 3 342.334 2.859 20 5 EFBDHM Cc1ccc(F)c(CN(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC001592173780 1094016109 /nfs/dbraw/zinc/01/61/09/1094016109.db2.gz OFLZTLIUTBEWKN-UHFFFAOYSA-N -1 3 342.334 2.859 20 5 EFBDHM Cc1ccc(Oc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c(Cl)n1 ZINC001592190133 1094023658 /nfs/dbraw/zinc/02/36/58/1094023658.db2.gz GIXJZHLKIQXNEE-UHFFFAOYSA-N -1 3 332.707 2.924 20 5 EFBDHM Cc1ccc(Oc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c(Cl)n1 ZINC001592190133 1094023664 /nfs/dbraw/zinc/02/36/64/1094023664.db2.gz GIXJZHLKIQXNEE-UHFFFAOYSA-N -1 3 332.707 2.924 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(OCc2ccc(-c3nnn[n-]3)c(C)c2)c1 ZINC001592197455 1094025771 /nfs/dbraw/zinc/02/57/71/1094025771.db2.gz LEYBEACIBICUJY-UHFFFAOYSA-N -1 3 325.328 2.971 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(OCc2ccc(-c3nn[n-]n3)c(C)c2)c1 ZINC001592197455 1094025779 /nfs/dbraw/zinc/02/57/79/1094025779.db2.gz LEYBEACIBICUJY-UHFFFAOYSA-N -1 3 325.328 2.971 20 5 EFBDHM Cc1ccc2c(c1)[C@H](Nc1ccc(-c3nnn[n-]3)c([N+](=O)[O-])c1)CO2 ZINC001592200703 1094027712 /nfs/dbraw/zinc/02/77/12/1094027712.db2.gz KBMRXSVIEIBXDE-CYBMUJFWSA-N -1 3 338.327 2.629 20 5 EFBDHM Cc1cccc(CCNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001592229320 1094039191 /nfs/dbraw/zinc/03/91/91/1094039191.db2.gz DOFRIWNKCODRFV-UHFFFAOYSA-N -1 3 342.334 2.877 20 5 EFBDHM Cc1cccc(CCNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001592229320 1094039199 /nfs/dbraw/zinc/03/91/99/1094039199.db2.gz DOFRIWNKCODRFV-UHFFFAOYSA-N -1 3 342.334 2.877 20 5 EFBDHM Cc1cccc(CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001592230790 1094040403 /nfs/dbraw/zinc/04/04/03/1094040403.db2.gz MEYFFPVPDDIRJX-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM Cc1cccc(CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001592230790 1094040411 /nfs/dbraw/zinc/04/04/11/1094040411.db2.gz MEYFFPVPDDIRJX-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM Cc1ccncc1[C@@H](C)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001592277755 1094064378 /nfs/dbraw/zinc/06/43/78/1094064378.db2.gz XRYRVKHZFMAEAH-SNVBAGLBSA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1ccncc1[C@@H](C)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001592277755 1094064385 /nfs/dbraw/zinc/06/43/85/1094064385.db2.gz XRYRVKHZFMAEAH-SNVBAGLBSA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1nc(C(C)C)oc1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592354080 1094086617 /nfs/dbraw/zinc/08/66/17/1094086617.db2.gz BFHLKWUINSYUEI-UHFFFAOYSA-N -1 3 343.347 2.807 20 5 EFBDHM Cc1nc(C(C)C)oc1CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592354080 1094086623 /nfs/dbraw/zinc/08/66/23/1094086623.db2.gz BFHLKWUINSYUEI-UHFFFAOYSA-N -1 3 343.347 2.807 20 5 EFBDHM Cc1nc(C(C)C)oc1CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001592354716 1094086634 /nfs/dbraw/zinc/08/66/34/1094086634.db2.gz QAKJCSUVPTUJSP-UHFFFAOYSA-N -1 3 343.347 2.807 20 5 EFBDHM Cc1nc(C(C)C)oc1CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001592354716 1094086641 /nfs/dbraw/zinc/08/66/41/1094086641.db2.gz QAKJCSUVPTUJSP-UHFFFAOYSA-N -1 3 343.347 2.807 20 5 EFBDHM Cc1nc(N[C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1-c1nnn[n-]1 ZINC001592380997 1094093334 /nfs/dbraw/zinc/09/33/34/1094093334.db2.gz SNLFKKCUMZBGLL-VIFPVBQESA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1nc(N[C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1-c1nn[n-]n1 ZINC001592380997 1094093338 /nfs/dbraw/zinc/09/33/38/1094093338.db2.gz SNLFKKCUMZBGLL-VIFPVBQESA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1nc(Sc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])oc1C ZINC001592399453 1094100035 /nfs/dbraw/zinc/10/00/35/1094100035.db2.gz HZLCCABYIBIHNB-UHFFFAOYSA-N -1 3 336.308 2.670 20 5 EFBDHM Cc1noc(C)c1[C@H](C)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001592456043 1094107879 /nfs/dbraw/zinc/10/78/79/1094107879.db2.gz DNOKJUDUCVTNDP-ZETCQYMHSA-N -1 3 329.320 2.553 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(N2CCCCCCCC2)c1-c1nnn[n-]1 ZINC001592757921 1094184277 /nfs/dbraw/zinc/18/42/77/1094184277.db2.gz VDPVUJFDEMTUBZ-UHFFFAOYSA-N -1 3 331.380 2.518 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(N2CCCCCCCC2)c1-c1nn[n-]n1 ZINC001592757921 1094184281 /nfs/dbraw/zinc/18/42/81/1094184281.db2.gz VDPVUJFDEMTUBZ-UHFFFAOYSA-N -1 3 331.380 2.518 20 5 EFBDHM O=C(Nc1cccc([N+](=O)[O-])c1)c1[nH]c2ccccc2c1-c1nnn[n-]1 ZINC001593247897 1094253113 /nfs/dbraw/zinc/25/31/13/1094253113.db2.gz MTCWSLHHZXTCKP-UHFFFAOYSA-N -1 3 349.310 2.509 20 5 EFBDHM O=C(Oc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC001593309222 1094280404 /nfs/dbraw/zinc/28/04/04/1094280404.db2.gz STXXVIQEQGMEKG-UHFFFAOYSA-N -1 3 345.702 2.648 20 5 EFBDHM O=C(Oc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC001593309222 1094280409 /nfs/dbraw/zinc/28/04/09/1094280409.db2.gz STXXVIQEQGMEKG-UHFFFAOYSA-N -1 3 345.702 2.648 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NCC=C(Cl)Cl ZINC001593468532 1094310938 /nfs/dbraw/zinc/31/09/38/1094310938.db2.gz NNANVYZTLDDAFP-UHFFFAOYSA-N -1 3 333.110 2.645 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NCC=C(Cl)Cl ZINC001593468532 1094310946 /nfs/dbraw/zinc/31/09/46/1094310946.db2.gz NNANVYZTLDDAFP-UHFFFAOYSA-N -1 3 333.110 2.645 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1CCC(C2CCC2)CC1 ZINC001593468720 1094310967 /nfs/dbraw/zinc/31/09/67/1094310967.db2.gz JNNHSYBFADOTAW-UHFFFAOYSA-N -1 3 346.366 2.931 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1CCC(C2CCC2)CC1 ZINC001593468720 1094310979 /nfs/dbraw/zinc/31/09/79/1094310979.db2.gz JNNHSYBFADOTAW-UHFFFAOYSA-N -1 3 346.366 2.931 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC=C(c2ccco2)C1 ZINC001593468003 1094311280 /nfs/dbraw/zinc/31/12/80/1094311280.db2.gz HXCKVBPHGJDDFM-UHFFFAOYSA-N -1 3 338.327 2.662 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC=C(c2ccco2)C1 ZINC001593468003 1094311291 /nfs/dbraw/zinc/31/12/91/1094311291.db2.gz HXCKVBPHGJDDFM-UHFFFAOYSA-N -1 3 338.327 2.662 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NCc1cc(Cl)ccn1 ZINC001593467628 1094312763 /nfs/dbraw/zinc/31/27/63/1094312763.db2.gz BCZKJKXZNVTDPZ-UHFFFAOYSA-N -1 3 349.713 2.575 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NCc1cc(Cl)ccn1 ZINC001593467628 1094312777 /nfs/dbraw/zinc/31/27/77/1094312777.db2.gz BCZKJKXZNVTDPZ-UHFFFAOYSA-N -1 3 349.713 2.575 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@H]2CCCC[C@H]2C1 ZINC001593468893 1094313031 /nfs/dbraw/zinc/31/30/31/1094313031.db2.gz UZTUCXDTFJPLPW-YPMHNXCESA-N -1 3 328.376 2.791 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@H]2CCCC[C@H]2C1 ZINC001593468893 1094313041 /nfs/dbraw/zinc/31/30/41/1094313041.db2.gz UZTUCXDTFJPLPW-YPMHNXCESA-N -1 3 328.376 2.791 20 5 EFBDHM O=[N+]([O-])c1cc(C=Cc2ccc(-c3nnn[n-]3)cn2)ccc1Cl ZINC001593473206 1094314143 /nfs/dbraw/zinc/31/41/43/1094314143.db2.gz PYCCPBCPQOVWAI-RJRFIUFISA-N -1 3 328.719 2.994 20 5 EFBDHM O=[N+]([O-])c1cc(C=Cc2ccc(-c3nn[n-]n3)cn2)ccc1Cl ZINC001593473206 1094314149 /nfs/dbraw/zinc/31/41/49/1094314149.db2.gz PYCCPBCPQOVWAI-RJRFIUFISA-N -1 3 328.719 2.994 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NCC1CCCCCCC1 ZINC001593471209 1094316240 /nfs/dbraw/zinc/31/62/40/1094316240.db2.gz PPHAWHBUIFPGJG-UHFFFAOYSA-N -1 3 331.380 2.942 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NCC1CCCCCCC1 ZINC001593471209 1094316254 /nfs/dbraw/zinc/31/62/54/1094316254.db2.gz PPHAWHBUIFPGJG-UHFFFAOYSA-N -1 3 331.380 2.942 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1Sc1ccccc1Cl ZINC001593473039 1094316382 /nfs/dbraw/zinc/31/63/82/1094316382.db2.gz GVIRNPJDXYTIFX-UHFFFAOYSA-N -1 3 334.748 2.975 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1Sc1ccccc1Cl ZINC001593473039 1094316385 /nfs/dbraw/zinc/31/63/85/1094316385.db2.gz GVIRNPJDXYTIFX-UHFFFAOYSA-N -1 3 334.748 2.975 20 5 EFBDHM O=[N+]([O-])c1cc(N[C@@H](CO)CC2CCCCC2)ccc1-c1nnn[n-]1 ZINC001593473493 1094316918 /nfs/dbraw/zinc/31/69/18/1094316918.db2.gz FOQRDVWDYIQKRV-CYBMUJFWSA-N -1 3 346.391 2.518 20 5 EFBDHM O=[N+]([O-])c1cc(Nc2cnn(-c3ccccc3)c2)ccc1-c1nnn[n-]1 ZINC001593474090 1094317743 /nfs/dbraw/zinc/31/77/43/1094317743.db2.gz PEDHSDSHLKBJJO-UHFFFAOYSA-N -1 3 348.326 2.704 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N[C@H]1C[C@@H]1Cc1ccccc1 ZINC001593473792 1094317916 /nfs/dbraw/zinc/31/79/16/1094317916.db2.gz AUQNWUZWLAFUKR-KBPBESRZSA-N -1 3 336.355 2.818 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N[C@H]1C[C@@H]1Cc1ccccc1 ZINC001593473792 1094317930 /nfs/dbraw/zinc/31/79/30/1094317930.db2.gz AUQNWUZWLAFUKR-KBPBESRZSA-N -1 3 336.355 2.818 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC001593474424 1094318475 /nfs/dbraw/zinc/31/84/75/1094318475.db2.gz IWHYMRIPZMUUKV-GDBMZVCRSA-N -1 3 340.318 2.824 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC001593474424 1094318481 /nfs/dbraw/zinc/31/84/81/1094318481.db2.gz IWHYMRIPZMUUKV-GDBMZVCRSA-N -1 3 340.318 2.824 20 5 EFBDHM O=[N+]([O-])c1cc(NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)ccc1-c1nnn[n-]1 ZINC001593473684 1094318524 /nfs/dbraw/zinc/31/85/24/1094318524.db2.gz JNBWLQDGNJEVLJ-BFYDXBDKSA-N -1 3 348.366 2.773 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCC(F)(F)c1ccccc1 ZINC001593473835 1094318632 /nfs/dbraw/zinc/31/86/32/1094318632.db2.gz CDHOWMQVJMRJRJ-UHFFFAOYSA-N -1 3 346.297 2.979 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCC(F)(F)c1ccccc1 ZINC001593473835 1094318642 /nfs/dbraw/zinc/31/86/42/1094318642.db2.gz CDHOWMQVJMRJRJ-UHFFFAOYSA-N -1 3 346.297 2.979 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CC[C@@H]2c2ccc(F)cc2)c(-c2nnn[n-]2)c1 ZINC001593475764 1094320041 /nfs/dbraw/zinc/32/00/41/1094320041.db2.gz DTNMBDXHMKNCQH-CQSZACIVSA-N -1 3 340.318 2.865 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CC[C@@H]2c2ccc(F)cc2)c(-c2nn[n-]n2)c1 ZINC001593475764 1094320050 /nfs/dbraw/zinc/32/00/50/1094320050.db2.gz DTNMBDXHMKNCQH-CQSZACIVSA-N -1 3 340.318 2.865 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CCC[C@@H](C2CCC2)C1 ZINC001593476479 1094320518 /nfs/dbraw/zinc/32/05/18/1094320518.db2.gz WYRAOZGFVWBAOA-CYBMUJFWSA-N -1 3 328.376 2.791 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CCC[C@@H](C2CCC2)C1 ZINC001593476479 1094320531 /nfs/dbraw/zinc/32/05/31/1094320531.db2.gz WYRAOZGFVWBAOA-CYBMUJFWSA-N -1 3 328.376 2.791 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CC[C@@H](CC(F)(F)F)C1 ZINC001593476121 1094321135 /nfs/dbraw/zinc/32/11/35/1094321135.db2.gz UVXRNGOOQPWGPJ-QMMMGPOBSA-N -1 3 342.281 2.554 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CC[C@@H](CC(F)(F)F)C1 ZINC001593476121 1094321145 /nfs/dbraw/zinc/32/11/45/1094321145.db2.gz UVXRNGOOQPWGPJ-QMMMGPOBSA-N -1 3 342.281 2.554 20 5 EFBDHM O=[N+]([O-])c1cc(NCCC[C@H]2CCCCO2)ccc1-c1nnn[n-]1 ZINC001593474952 1094321277 /nfs/dbraw/zinc/32/12/77/1094321277.db2.gz WDMHIZHBNYURON-GFCCVEGCSA-N -1 3 332.364 2.536 20 5 EFBDHM O=[N+]([O-])c1ccc(NCc2cc(O)ccc2Cl)c(-c2nnn[n-]2)c1 ZINC001593478940 1094322682 /nfs/dbraw/zinc/32/26/82/1094322682.db2.gz RNLPTVRVCCIVEK-UHFFFAOYSA-N -1 3 346.734 2.746 20 5 EFBDHM O=[N+]([O-])c1ccc(NCc2cc(O)ccc2Cl)c(-c2nn[n-]n2)c1 ZINC001593478940 1094322688 /nfs/dbraw/zinc/32/26/88/1094322688.db2.gz RNLPTVRVCCIVEK-UHFFFAOYSA-N -1 3 346.734 2.746 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CCSC3(CCC3)CC2)c(-c2nnn[n-]2)c1 ZINC001593478752 1094323358 /nfs/dbraw/zinc/32/33/58/1094323358.db2.gz LJTAOPPWYWSBGF-UHFFFAOYSA-N -1 3 346.416 2.641 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CCSC3(CCC3)CC2)c(-c2nn[n-]n2)c1 ZINC001593478752 1094323367 /nfs/dbraw/zinc/32/33/67/1094323367.db2.gz LJTAOPPWYWSBGF-UHFFFAOYSA-N -1 3 346.416 2.641 20 5 EFBDHM O=[N+]([O-])c1ccc(NCCc2cccc(F)c2)c(-c2nnn[n-]2)c1 ZINC001593479181 1094323390 /nfs/dbraw/zinc/32/33/90/1094323390.db2.gz XXLPUDLBLUSCHK-UHFFFAOYSA-N -1 3 328.307 2.569 20 5 EFBDHM O=[N+]([O-])c1ccc(NCCc2cccc(F)c2)c(-c2nn[n-]n2)c1 ZINC001593479181 1094323399 /nfs/dbraw/zinc/32/33/99/1094323399.db2.gz XXLPUDLBLUSCHK-UHFFFAOYSA-N -1 3 328.307 2.569 20 5 EFBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3C=CCCC3)cc(-c3nnn[n-]3)c2c1 ZINC001593480003 1094323855 /nfs/dbraw/zinc/32/38/55/1094323855.db2.gz DEYPXNCODWEIEE-SNVBAGLBSA-N -1 3 337.343 2.844 20 5 EFBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3C=CCCC3)cc(-c3nn[n-]n3)c2c1 ZINC001593480003 1094323866 /nfs/dbraw/zinc/32/38/66/1094323866.db2.gz DEYPXNCODWEIEE-SNVBAGLBSA-N -1 3 337.343 2.844 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CCC(C2CCC2)CC1 ZINC001593480081 1094324380 /nfs/dbraw/zinc/32/43/80/1094324380.db2.gz DTQDGDQWYDKTLZ-UHFFFAOYSA-N -1 3 328.376 2.791 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CCC(C2CCC2)CC1 ZINC001593480081 1094324391 /nfs/dbraw/zinc/32/43/91/1094324391.db2.gz DTQDGDQWYDKTLZ-UHFFFAOYSA-N -1 3 328.376 2.791 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@@H]2C[C@@]2(F)c2ccccc2)c(-c2nnn[n-]2)c1 ZINC001593478993 1094324537 /nfs/dbraw/zinc/32/45/37/1094324537.db2.gz OUSFQOLMEWXXSI-GDBMZVCRSA-N -1 3 340.318 2.824 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@@H]2C[C@@]2(F)c2ccccc2)c(-c2nn[n-]n2)c1 ZINC001593478993 1094324547 /nfs/dbraw/zinc/32/45/47/1094324547.db2.gz OUSFQOLMEWXXSI-GDBMZVCRSA-N -1 3 340.318 2.824 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CSCCC(F)(F)F ZINC001593480508 1094325669 /nfs/dbraw/zinc/32/56/69/1094325669.db2.gz AYCRILSVLIEGIP-UHFFFAOYSA-N -1 3 333.295 2.961 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1CSCCC(F)(F)F ZINC001593480508 1094325679 /nfs/dbraw/zinc/32/56/79/1094325679.db2.gz AYCRILSVLIEGIP-UHFFFAOYSA-N -1 3 333.295 2.961 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1COc1ccc(F)cc1F ZINC001593482698 1094325703 /nfs/dbraw/zinc/32/57/03/1094325703.db2.gz PVACCFSABCSQCW-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1COc1ccc(F)cc1F ZINC001593482698 1094325712 /nfs/dbraw/zinc/32/57/12/1094325712.db2.gz PVACCFSABCSQCW-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CC[C@@H](c2ccccc2)C1 ZINC001593482298 1094326013 /nfs/dbraw/zinc/32/60/13/1094326013.db2.gz XYVYCLMMCLEOBJ-CYBMUJFWSA-N -1 3 336.355 2.769 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CC[C@@H](c2ccccc2)C1 ZINC001593482298 1094326019 /nfs/dbraw/zinc/32/60/19/1094326019.db2.gz XYVYCLMMCLEOBJ-CYBMUJFWSA-N -1 3 336.355 2.769 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CSC[C@H]1CCCCO1 ZINC001593481070 1094326334 /nfs/dbraw/zinc/32/63/34/1094326334.db2.gz GSGIPQFLYKQBBE-SNVBAGLBSA-N -1 3 335.389 2.577 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1CSC[C@H]1CCCCO1 ZINC001593481070 1094326346 /nfs/dbraw/zinc/32/63/46/1094326346.db2.gz GSGIPQFLYKQBBE-SNVBAGLBSA-N -1 3 335.389 2.577 20 5 EFBDHM O=[N+]([O-])c1ccsc1N[C@@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001593486633 1094328931 /nfs/dbraw/zinc/32/89/31/1094328931.db2.gz DMKOXIPAOGTYQY-LLVKDONJSA-N -1 3 328.357 2.936 20 5 EFBDHM O=[N+]([O-])c1ccsc1N[C@@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001593486633 1094328935 /nfs/dbraw/zinc/32/89/35/1094328935.db2.gz DMKOXIPAOGTYQY-LLVKDONJSA-N -1 3 328.357 2.936 20 5 EFBDHM O=[N+]([O-])c1cccc(NCCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001593484032 1094329556 /nfs/dbraw/zinc/32/95/56/1094329556.db2.gz PIOYMGQLOXWQAD-UHFFFAOYSA-N -1 3 340.343 2.656 20 5 EFBDHM O=[N+]([O-])c1ccccc1CN1CCCc2c(-c3nnn[n-]3)cccc21 ZINC001593485478 1094330656 /nfs/dbraw/zinc/33/06/56/1094330656.db2.gz PYSPBUUXFYRSPZ-UHFFFAOYSA-N -1 3 336.355 2.728 20 5 EFBDHM O=[N+]([O-])c1ccccc1CN1CCCc2c(-c3nn[n-]n3)cccc21 ZINC001593485478 1094330663 /nfs/dbraw/zinc/33/06/63/1094330663.db2.gz PYSPBUUXFYRSPZ-UHFFFAOYSA-N -1 3 336.355 2.728 20 5 EFBDHM Cc1c(CN[C@@](C)(CC(=O)[O-])c2ccncc2)cccc1[N+](=O)[O-] ZINC001600013453 1094720150 /nfs/dbraw/zinc/72/01/50/1094720150.db2.gz KRPZHJYFZGCYPT-KRWDZBQOSA-N -1 3 329.356 2.778 20 5 EFBDHM O=C([O-])C[C@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC001601905601 1095969924 /nfs/dbraw/zinc/96/99/24/1095969924.db2.gz BHTNLVHDPUKVII-AWEZNQCLSA-N -1 3 331.328 2.593 20 5 EFBDHM O=C([O-])COc1ccc(CN2CCC[C@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC001602082378 1096050764 /nfs/dbraw/zinc/05/07/64/1096050764.db2.gz QZAXABXAMGWDRD-KGLIPLIRSA-N -1 3 334.372 2.823 20 5 EFBDHM O=C([O-])COc1ccc(CNC/C=C/c2ccccc2)cc1[N+](=O)[O-] ZINC001602083447 1096053878 /nfs/dbraw/zinc/05/38/78/1096053878.db2.gz NYAQSIUJUAHRTK-QPJJXVBHSA-N -1 3 342.351 2.861 20 5 EFBDHM O=C([O-])[C@]12CCC[C@H]1N(Cc1nc3cc([N+](=O)[O-])ccc3o1)CC2 ZINC001602223066 1096124003 /nfs/dbraw/zinc/12/40/03/1096124003.db2.gz PDAXLJWPVFRRQT-CJNGLKHVSA-N -1 3 331.328 2.565 20 5 EFBDHM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1N[C@H]1CCN(CC2CC2)C1 ZINC001602299489 1096165624 /nfs/dbraw/zinc/16/56/24/1096165624.db2.gz XFPJVAMFGLHWHD-JTQLQIEISA-N -1 3 339.779 2.843 20 5 EFBDHM C/C(=C\CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1)C(=O)[O-] ZINC001602963073 1096409944 /nfs/dbraw/zinc/40/99/44/1096409944.db2.gz SFBZJZPVUDEVTC-BJFMEQNYSA-N -1 3 348.399 2.731 20 5 EFBDHM CC(=O)c1cc(NCc2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC001602967167 1096409962 /nfs/dbraw/zinc/40/99/62/1096409962.db2.gz NLDOQDKCCMMUOA-UHFFFAOYSA-N -1 3 338.327 2.590 20 5 EFBDHM CC(=O)c1cc(NCc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC001602967167 1096409966 /nfs/dbraw/zinc/40/99/66/1096409966.db2.gz NLDOQDKCCMMUOA-UHFFFAOYSA-N -1 3 338.327 2.590 20 5 EFBDHM CC(C)(C)[C@@H]1C[C@H](Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCO1 ZINC001603062806 1096427919 /nfs/dbraw/zinc/42/79/19/1096427919.db2.gz SDSRITZJHCWEGR-MFKMUULPSA-N -1 3 346.391 2.781 20 5 EFBDHM CC(C)(C)[C@@H]1C[C@H](Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCO1 ZINC001603062806 1096427926 /nfs/dbraw/zinc/42/79/26/1096427926.db2.gz SDSRITZJHCWEGR-MFKMUULPSA-N -1 3 346.391 2.781 20 5 EFBDHM CC(C)(C)[C@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CCO1 ZINC001603062387 1096428611 /nfs/dbraw/zinc/42/86/11/1096428611.db2.gz IKYUCGQLTFIGCW-SMDDNHRTSA-N -1 3 346.391 2.781 20 5 EFBDHM CC(C)(C)[C@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CCO1 ZINC001603062387 1096428614 /nfs/dbraw/zinc/42/86/14/1096428614.db2.gz IKYUCGQLTFIGCW-SMDDNHRTSA-N -1 3 346.391 2.781 20 5 EFBDHM CC(C)(CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CCOCC1 ZINC001603150663 1096460605 /nfs/dbraw/zinc/46/06/05/1096460605.db2.gz JPXNTEKHHCIHLY-UHFFFAOYSA-N -1 3 346.391 2.640 20 5 EFBDHM CC(C)(CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CCOCC1 ZINC001603150663 1096460609 /nfs/dbraw/zinc/46/06/09/1096460609.db2.gz JPXNTEKHHCIHLY-UHFFFAOYSA-N -1 3 346.391 2.640 20 5 EFBDHM CC(C)[C@H]1C[C@H](CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC001603241248 1096483103 /nfs/dbraw/zinc/48/31/03/1096483103.db2.gz NVMFWFHITVQTNQ-IAQYHMDHSA-N -1 3 346.391 2.638 20 5 EFBDHM CC(C)[C@H]1C[C@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO1 ZINC001603241248 1096483107 /nfs/dbraw/zinc/48/31/07/1096483107.db2.gz NVMFWFHITVQTNQ-IAQYHMDHSA-N -1 3 346.391 2.638 20 5 EFBDHM CC(C)C[C@@H](C)CC(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603259582 1096488794 /nfs/dbraw/zinc/48/87/94/1096488794.db2.gz MSYBZCFWZHUNHU-LLVKDONJSA-N -1 3 347.375 2.890 20 5 EFBDHM CC(C)C[C@@H](C)CC(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603259582 1096488795 /nfs/dbraw/zinc/48/87/95/1096488795.db2.gz MSYBZCFWZHUNHU-LLVKDONJSA-N -1 3 347.375 2.890 20 5 EFBDHM CC(C)CC1(CNc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)CCC1 ZINC001603271489 1096490851 /nfs/dbraw/zinc/49/08/51/1096490851.db2.gz JRNMPEZLVHTWDZ-UHFFFAOYSA-N -1 3 345.407 2.985 20 5 EFBDHM CC(C)CC1(CNc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)CCC1 ZINC001603271489 1096490853 /nfs/dbraw/zinc/49/08/53/1096490853.db2.gz JRNMPEZLVHTWDZ-UHFFFAOYSA-N -1 3 345.407 2.985 20 5 EFBDHM CC(C)(C)N1CC[C@@H]1CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001603345286 1096509846 /nfs/dbraw/zinc/50/98/46/1096509846.db2.gz HLHMDRMFCKNMBJ-SCXUMTSISA-N -1 3 333.388 2.977 20 5 EFBDHM CC(C)(CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])C(C)(F)F ZINC001603591862 1096563537 /nfs/dbraw/zinc/56/35/37/1096563537.db2.gz KVECCWSQUVVDPZ-UHFFFAOYSA-N -1 3 326.307 2.868 20 5 EFBDHM CC(C)(CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])C(C)(F)F ZINC001603591862 1096563540 /nfs/dbraw/zinc/56/35/40/1096563540.db2.gz KVECCWSQUVVDPZ-UHFFFAOYSA-N -1 3 326.307 2.868 20 5 EFBDHM C[C@H](Nc1cc(N)ccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC001603678201 1096588276 /nfs/dbraw/zinc/58/82/76/1096588276.db2.gz HCBSIDXTJPWEFE-VIFPVBQESA-N -1 3 325.332 2.530 20 5 EFBDHM C[C@H](Nc1cc(N)ccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC001603678201 1096588283 /nfs/dbraw/zinc/58/82/83/1096588283.db2.gz HCBSIDXTJPWEFE-VIFPVBQESA-N -1 3 325.332 2.530 20 5 EFBDHM CC1(C)C[C@@H](SCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CO1 ZINC001603765469 1096618010 /nfs/dbraw/zinc/61/80/10/1096618010.db2.gz RSIMVSUVROHTLM-SECBINFHSA-N -1 3 335.389 2.576 20 5 EFBDHM CC1(C)C[C@@H](SCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CO1 ZINC001603765469 1096618015 /nfs/dbraw/zinc/61/80/15/1096618015.db2.gz RSIMVSUVROHTLM-SECBINFHSA-N -1 3 335.389 2.576 20 5 EFBDHM C[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001603870855 1096650324 /nfs/dbraw/zinc/65/03/24/1096650324.db2.gz HISNWEMUCFYTJP-GYSYKLTISA-N -1 3 328.376 2.932 20 5 EFBDHM C[C@@H]1CCC[C@@H]1CC(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603891261 1096661922 /nfs/dbraw/zinc/66/19/22/1096661922.db2.gz UXBCBSAOMVNWJK-GHMZBOCLSA-N -1 3 345.359 2.644 20 5 EFBDHM C[C@@H]1CCC[C@@H]1CC(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603891261 1096661926 /nfs/dbraw/zinc/66/19/26/1096661926.db2.gz UXBCBSAOMVNWJK-GHMZBOCLSA-N -1 3 345.359 2.644 20 5 EFBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@](C)(CCF)C(=O)[O-] ZINC001603950888 1096680167 /nfs/dbraw/zinc/68/01/67/1096680167.db2.gz AEMQOGCFYHYJSW-HNNXBMFYSA-N -1 3 328.340 2.675 20 5 EFBDHM CCC(=CC(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])CC ZINC001603965806 1096684051 /nfs/dbraw/zinc/68/40/51/1096684051.db2.gz QOFSZEUZXIPETI-UHFFFAOYSA-N -1 3 331.332 2.565 20 5 EFBDHM CCC(=CC(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])CC ZINC001603965806 1096684054 /nfs/dbraw/zinc/68/40/54/1096684054.db2.gz QOFSZEUZXIPETI-UHFFFAOYSA-N -1 3 331.332 2.565 20 5 EFBDHM CC[C@@H](C)[C@H](CNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1)OC ZINC001604000269 1096691866 /nfs/dbraw/zinc/69/18/66/1096691866.db2.gz OPPOYGUERDNTKW-OTYXRUKQSA-N -1 3 334.380 2.556 20 5 EFBDHM CC[C@@H](C)[C@H](CNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1)OC ZINC001604000269 1096691868 /nfs/dbraw/zinc/69/18/68/1096691868.db2.gz OPPOYGUERDNTKW-OTYXRUKQSA-N -1 3 334.380 2.556 20 5 EFBDHM CC[C@H](C)[C@@H](CNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1)OC ZINC001604000268 1096692952 /nfs/dbraw/zinc/69/29/52/1096692952.db2.gz OPPOYGUERDNTKW-LKFCYVNXSA-N -1 3 334.380 2.556 20 5 EFBDHM CC[C@H](C)[C@@H](CNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1)OC ZINC001604000268 1096692953 /nfs/dbraw/zinc/69/29/53/1096692953.db2.gz OPPOYGUERDNTKW-LKFCYVNXSA-N -1 3 334.380 2.556 20 5 EFBDHM CCC[C@H]1CCCN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001604153548 1096753488 /nfs/dbraw/zinc/75/34/88/1096753488.db2.gz UNDPTLHFCPKTBY-JTQLQIEISA-N -1 3 334.355 2.931 20 5 EFBDHM CCC[C@H]1CCCN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001604153548 1096753494 /nfs/dbraw/zinc/75/34/94/1096753494.db2.gz UNDPTLHFCPKTBY-JTQLQIEISA-N -1 3 334.355 2.931 20 5 EFBDHM CCCCOCCCNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001604188017 1096767390 /nfs/dbraw/zinc/76/73/90/1096767390.db2.gz GHPUIFMIVBLFCR-UHFFFAOYSA-N -1 3 334.380 2.702 20 5 EFBDHM CCCCOCCCNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001604188017 1096767394 /nfs/dbraw/zinc/76/73/94/1096767394.db2.gz GHPUIFMIVBLFCR-UHFFFAOYSA-N -1 3 334.380 2.702 20 5 EFBDHM CCCN(CC)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001604204863 1096773229 /nfs/dbraw/zinc/77/32/29/1096773229.db2.gz ZALWZTCFGGCXFX-UHFFFAOYSA-N -1 3 327.348 2.559 20 5 EFBDHM CCCN(CC)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001604204863 1096773234 /nfs/dbraw/zinc/77/32/34/1096773234.db2.gz ZALWZTCFGGCXFX-UHFFFAOYSA-N -1 3 327.348 2.559 20 5 EFBDHM CCCc1ncc(CNc2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)o1 ZINC001604247580 1096785480 /nfs/dbraw/zinc/78/54/80/1096785480.db2.gz FWWFQKYCYJRJMI-UHFFFAOYSA-N -1 3 343.347 2.636 20 5 EFBDHM CCCc1ncc(CNc2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)o1 ZINC001604247580 1096785488 /nfs/dbraw/zinc/78/54/88/1096785488.db2.gz FWWFQKYCYJRJMI-UHFFFAOYSA-N -1 3 343.347 2.636 20 5 EFBDHM CCN(Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])c1cccc(F)c1 ZINC001604319735 1096806678 /nfs/dbraw/zinc/80/66/78/1096806678.db2.gz LBRSQJFNKYMZQZ-UHFFFAOYSA-N -1 3 342.334 2.941 20 5 EFBDHM CCN(Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])c1cccc(F)c1 ZINC001604319735 1096806690 /nfs/dbraw/zinc/80/66/90/1096806690.db2.gz LBRSQJFNKYMZQZ-UHFFFAOYSA-N -1 3 342.334 2.941 20 5 EFBDHM C[C@H](N[C@@H]1CCC[C@@H]1C(=O)[O-])c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001604331252 1096814970 /nfs/dbraw/zinc/81/49/70/1096814970.db2.gz WFOCDYUBQTZSPM-TVYUQYBPSA-N -1 3 346.343 2.549 20 5 EFBDHM CN(Cc1ccc2cc[nH]c2c1)c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001604810547 1096962226 /nfs/dbraw/zinc/96/22/26/1096962226.db2.gz QAEBPGNEJSXYHX-UHFFFAOYSA-N -1 3 349.354 2.893 20 5 EFBDHM CN(Cc1ccc2cc[nH]c2c1)c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001604810547 1096962232 /nfs/dbraw/zinc/96/22/32/1096962232.db2.gz QAEBPGNEJSXYHX-UHFFFAOYSA-N -1 3 349.354 2.893 20 5 EFBDHM CN(Cc1ccc(F)cc1F)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001604809616 1096962605 /nfs/dbraw/zinc/96/26/05/1096962605.db2.gz VOGNEWGZDILKSG-UHFFFAOYSA-N -1 3 346.297 2.690 20 5 EFBDHM CN(Cc1ccc(F)cc1F)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001604809616 1096962611 /nfs/dbraw/zinc/96/26/11/1096962611.db2.gz VOGNEWGZDILKSG-UHFFFAOYSA-N -1 3 346.297 2.690 20 5 EFBDHM COC/C(C)=C/CSCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001605044892 1097009799 /nfs/dbraw/zinc/00/97/99/1097009799.db2.gz RLZCIXQXVXWOBN-UXBLZVDNSA-N -1 3 335.389 2.601 20 5 EFBDHM COC/C(C)=C/CSCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001605044892 1097009805 /nfs/dbraw/zinc/00/98/05/1097009805.db2.gz RLZCIXQXVXWOBN-UXBLZVDNSA-N -1 3 335.389 2.601 20 5 EFBDHM COCc1cccc(Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c1 ZINC001605133806 1097030431 /nfs/dbraw/zinc/03/04/31/1097030431.db2.gz SOGKMBARUJORQO-UHFFFAOYSA-N -1 3 326.316 2.665 20 5 EFBDHM COCc1cccc(Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c1 ZINC001605133806 1097030438 /nfs/dbraw/zinc/03/04/38/1097030438.db2.gz SOGKMBARUJORQO-UHFFFAOYSA-N -1 3 326.316 2.665 20 5 EFBDHM COc1cc(COc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])cc1F ZINC001605221982 1097057562 /nfs/dbraw/zinc/05/75/62/1097057562.db2.gz FLGFIWLBGXXOPZ-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1cc(CNc2cc(C)sc2[N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001605219765 1097057717 /nfs/dbraw/zinc/05/77/17/1097057717.db2.gz KRWMPCIQNJTIJS-UHFFFAOYSA-N -1 3 346.372 2.766 20 5 EFBDHM COc1cc(CNc2cc(C)sc2[N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001605219765 1097057722 /nfs/dbraw/zinc/05/77/22/1097057722.db2.gz KRWMPCIQNJTIJS-UHFFFAOYSA-N -1 3 346.372 2.766 20 5 EFBDHM COc1ccc([N+](=O)[O-])cc1N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001605307528 1097089908 /nfs/dbraw/zinc/08/99/08/1097089908.db2.gz FFRHAAZIIZKZID-SNVBAGLBSA-N -1 3 340.343 2.957 20 5 EFBDHM COc1ccc([N+](=O)[O-])cc1N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001605307528 1097089915 /nfs/dbraw/zinc/08/99/15/1097089915.db2.gz FFRHAAZIIZKZID-SNVBAGLBSA-N -1 3 340.343 2.957 20 5 EFBDHM CSc1ccc(Oc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC001605387491 1097113771 /nfs/dbraw/zinc/11/37/71/1097113771.db2.gz HNDMNIGHRDUMBN-UHFFFAOYSA-N -1 3 330.329 2.684 20 5 EFBDHM CSc1ccc(Oc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC001605387491 1097113775 /nfs/dbraw/zinc/11/37/75/1097113775.db2.gz HNDMNIGHRDUMBN-UHFFFAOYSA-N -1 3 330.329 2.684 20 5 EFBDHM C[C@H]1c2ccccc2C[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001605447969 1097126888 /nfs/dbraw/zinc/12/68/88/1097126888.db2.gz MUDLHNJVSZGJTR-MGPLVRAMSA-N -1 3 336.355 2.915 20 5 EFBDHM C[C@H]1c2ccccc2C[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001605447969 1097126892 /nfs/dbraw/zinc/12/68/92/1097126892.db2.gz MUDLHNJVSZGJTR-MGPLVRAMSA-N -1 3 336.355 2.915 20 5 EFBDHM Cc1c(OCc2ccc(-c3nnn[n-]3)cc2F)cccc1[N+](=O)[O-] ZINC001605500394 1097139500 /nfs/dbraw/zinc/13/95/00/1097139500.db2.gz PZETXLLNSRUZOJ-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1c(OCc2ccc(-c3nn[n-]n3)cc2F)cccc1[N+](=O)[O-] ZINC001605500394 1097139503 /nfs/dbraw/zinc/13/95/03/1097139503.db2.gz PZETXLLNSRUZOJ-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1cc(-c2nnn[n-]2)cc(NCc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC001605534410 1097150919 /nfs/dbraw/zinc/15/09/19/1097150919.db2.gz DAWHMOGMXMIZMI-UHFFFAOYSA-N -1 3 345.750 2.744 20 5 EFBDHM Cc1cc(-c2nn[n-]n2)cc(NCc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC001605534410 1097150921 /nfs/dbraw/zinc/15/09/21/1097150921.db2.gz DAWHMOGMXMIZMI-UHFFFAOYSA-N -1 3 345.750 2.744 20 5 EFBDHM Cc1cc(C)c(CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])c(C)c1 ZINC001605641695 1097177036 /nfs/dbraw/zinc/17/70/36/1097177036.db2.gz AYWHCTOUQQLKSK-UHFFFAOYSA-N -1 3 339.359 2.707 20 5 EFBDHM Cc1cc(C)c(CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])c(C)c1 ZINC001605641695 1097177042 /nfs/dbraw/zinc/17/70/42/1097177042.db2.gz AYWHCTOUQQLKSK-UHFFFAOYSA-N -1 3 339.359 2.707 20 5 EFBDHM Cc1cc(C)c([N+](=O)[O-])c(OCc2ccc(C)c(-c3nnn[n-]3)c2)n1 ZINC001605643501 1097178052 /nfs/dbraw/zinc/17/80/52/1097178052.db2.gz KSRJSMVNTPIQAB-UHFFFAOYSA-N -1 3 340.343 2.674 20 5 EFBDHM Cc1cc(C)c([N+](=O)[O-])c(OCc2ccc(C)c(-c3nn[n-]n3)c2)n1 ZINC001605643501 1097178056 /nfs/dbraw/zinc/17/80/56/1097178056.db2.gz KSRJSMVNTPIQAB-UHFFFAOYSA-N -1 3 340.343 2.674 20 5 EFBDHM Cc1cc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)ccc1F ZINC001605661590 1097183310 /nfs/dbraw/zinc/18/33/10/1097183310.db2.gz BBTDGTFYOWCBMZ-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM Cc1cc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)ccc1F ZINC001605661590 1097183315 /nfs/dbraw/zinc/18/33/15/1097183315.db2.gz BBTDGTFYOWCBMZ-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM Cc1cc(COc2cccc([N+](=O)[O-])c2C)ccc1-c1nnn[n-]1 ZINC001605666799 1097186425 /nfs/dbraw/zinc/18/64/25/1097186425.db2.gz MQSFFRCUNDRRCG-UHFFFAOYSA-N -1 3 325.328 2.971 20 5 EFBDHM Cc1cc(COc2cccc([N+](=O)[O-])c2C)ccc1-c1nn[n-]n1 ZINC001605666799 1097186428 /nfs/dbraw/zinc/18/64/28/1097186428.db2.gz MQSFFRCUNDRRCG-UHFFFAOYSA-N -1 3 325.328 2.971 20 5 EFBDHM Cc1cc(N2CC3(CCC3)C[C@@H]2C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605691441 1097196247 /nfs/dbraw/zinc/19/62/47/1097196247.db2.gz DHCMZTYRFIGDSZ-NSHDSACASA-N -1 3 328.376 2.852 20 5 EFBDHM Cc1cc(N2CC3(CCC3)C[C@@H]2C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605691441 1097196251 /nfs/dbraw/zinc/19/62/51/1097196251.db2.gz DHCMZTYRFIGDSZ-NSHDSACASA-N -1 3 328.376 2.852 20 5 EFBDHM Cc1cc(N2CCc3sccc3C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605700371 1097198200 /nfs/dbraw/zinc/19/82/00/1097198200.db2.gz YERZWZXBOODWRO-UHFFFAOYSA-N -1 3 342.384 2.708 20 5 EFBDHM Cc1cc(N2CCc3sccc3C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605700371 1097198206 /nfs/dbraw/zinc/19/82/06/1097198206.db2.gz YERZWZXBOODWRO-UHFFFAOYSA-N -1 3 342.384 2.708 20 5 EFBDHM Cc1cc(NCC2(OC(C)C)CCC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605729856 1097209662 /nfs/dbraw/zinc/20/96/62/1097209662.db2.gz DRQXLQIXDDMTKK-UHFFFAOYSA-N -1 3 346.391 2.843 20 5 EFBDHM Cc1cc(NCC2(OC(C)C)CCC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605729856 1097209666 /nfs/dbraw/zinc/20/96/66/1097209666.db2.gz DRQXLQIXDDMTKK-UHFFFAOYSA-N -1 3 346.391 2.843 20 5 EFBDHM Cc1noc(COc2cc(C)c(-c3nn[n-]n3)c(C)c2C)c1[N+](=O)[O-] ZINC001605747082 1097215380 /nfs/dbraw/zinc/21/53/80/1097215380.db2.gz CUMMTEILZLCHLD-UHFFFAOYSA-N -1 3 344.331 2.576 20 5 EFBDHM Cc1ccc(CN(C)Cc2cc(-c3nnn[n-]3)cs2)cc1[N+](=O)[O-] ZINC001605846590 1097249331 /nfs/dbraw/zinc/24/93/31/1097249331.db2.gz MQRXSBMAXZKTKS-UHFFFAOYSA-N -1 3 344.400 2.777 20 5 EFBDHM Cc1ccc(CN(C)Cc2cc(-c3nn[n-]n3)cs2)cc1[N+](=O)[O-] ZINC001605846590 1097249334 /nfs/dbraw/zinc/24/93/34/1097249334.db2.gz MQRXSBMAXZKTKS-UHFFFAOYSA-N -1 3 344.400 2.777 20 5 EFBDHM Cc1ccc(Nc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)cc1C ZINC001605876001 1097263047 /nfs/dbraw/zinc/26/30/47/1097263047.db2.gz YMZTVUNOTBIVKV-UHFFFAOYSA-N -1 3 325.332 2.718 20 5 EFBDHM Cc1ccc(Nc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)cc1C ZINC001605876001 1097263052 /nfs/dbraw/zinc/26/30/52/1097263052.db2.gz YMZTVUNOTBIVKV-UHFFFAOYSA-N -1 3 325.332 2.718 20 5 EFBDHM Cc1cccc(-c2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1[N+](=O)[O-] ZINC001605895739 1097269433 /nfs/dbraw/zinc/26/94/33/1097269433.db2.gz KDUVLDUIMUUKHF-UHFFFAOYSA-N -1 3 349.310 2.800 20 5 EFBDHM Cc1cccc(-c2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1[N+](=O)[O-] ZINC001605895739 1097269437 /nfs/dbraw/zinc/26/94/37/1097269437.db2.gz KDUVLDUIMUUKHF-UHFFFAOYSA-N -1 3 349.310 2.800 20 5 EFBDHM Cc1cccc(OCCNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])c1 ZINC001605923391 1097277262 /nfs/dbraw/zinc/27/72/62/1097277262.db2.gz GNIRWWWAKIZXKH-UHFFFAOYSA-N -1 3 340.343 2.574 20 5 EFBDHM Cc1cccc(OCCNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])c1 ZINC001605923391 1097277268 /nfs/dbraw/zinc/27/72/68/1097277268.db2.gz GNIRWWWAKIZXKH-UHFFFAOYSA-N -1 3 340.343 2.574 20 5 EFBDHM Cc1ccccc1OCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605943046 1097283269 /nfs/dbraw/zinc/28/32/69/1097283269.db2.gz INWMNZRTWLRMBL-UHFFFAOYSA-N -1 3 340.343 2.574 20 5 EFBDHM Cc1ccccc1OCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605943046 1097283271 /nfs/dbraw/zinc/28/32/71/1097283271.db2.gz INWMNZRTWLRMBL-UHFFFAOYSA-N -1 3 340.343 2.574 20 5 EFBDHM Cc1ccccc1OCCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001605942895 1097283438 /nfs/dbraw/zinc/28/34/38/1097283438.db2.gz DOQYJCYWPIQIPO-UHFFFAOYSA-N -1 3 340.343 2.574 20 5 EFBDHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC001606921151 1097473842 /nfs/dbraw/zinc/47/38/42/1097473842.db2.gz VNSXZFDXXQNQFE-UHFFFAOYSA-N -1 3 344.718 2.681 20 5 EFBDHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC001606921151 1097473844 /nfs/dbraw/zinc/47/38/44/1097473844.db2.gz VNSXZFDXXQNQFE-UHFFFAOYSA-N -1 3 344.718 2.681 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N[C@H](C1CC1)C1CCC1 ZINC001607077030 1097505365 /nfs/dbraw/zinc/50/53/65/1097505365.db2.gz GDJORTPQECRFRC-AWEZNQCLSA-N -1 3 332.339 2.905 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N[C@H](C1CC1)C1CCC1 ZINC001607077030 1097505370 /nfs/dbraw/zinc/50/53/70/1097505370.db2.gz GDJORTPQECRFRC-AWEZNQCLSA-N -1 3 332.339 2.905 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1Sc1ccccc1O ZINC001607077137 1097505871 /nfs/dbraw/zinc/50/58/71/1097505871.db2.gz HPJJNBMAXXJAMP-UHFFFAOYSA-N -1 3 333.304 2.771 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1CCOc2ccccc21 ZINC001607080092 1097506284 /nfs/dbraw/zinc/50/62/84/1097506284.db2.gz PRNVGLQDRWJLFQ-GFCCVEGCSA-N -1 3 338.327 2.711 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCOc2ccccc21 ZINC001607080092 1097506290 /nfs/dbraw/zinc/50/62/90/1097506290.db2.gz PRNVGLQDRWJLFQ-GFCCVEGCSA-N -1 3 338.327 2.711 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NCCCC(F)(F)F ZINC001607077959 1097506441 /nfs/dbraw/zinc/50/64/41/1097506441.db2.gz WDQFCONODXWQNT-UHFFFAOYSA-N -1 3 334.233 2.668 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NCCCC(F)(F)F ZINC001607077959 1097506446 /nfs/dbraw/zinc/50/64/46/1097506446.db2.gz WDQFCONODXWQNT-UHFFFAOYSA-N -1 3 334.233 2.668 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1COc1c(F)cccc1F ZINC001607083442 1097509346 /nfs/dbraw/zinc/50/93/46/1097509346.db2.gz GFFDSANBNZIKLD-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1COc1c(F)cccc1F ZINC001607083442 1097509350 /nfs/dbraw/zinc/50/93/50/1097509350.db2.gz GFFDSANBNZIKLD-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CSCCOC1CCC1 ZINC001607083256 1097509378 /nfs/dbraw/zinc/50/93/78/1097509378.db2.gz CPXCPXCXEXAGHE-UHFFFAOYSA-N -1 3 335.389 2.577 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1CSCCOC1CCC1 ZINC001607083256 1097509379 /nfs/dbraw/zinc/50/93/79/1097509379.db2.gz CPXCPXCXEXAGHE-UHFFFAOYSA-N -1 3 335.389 2.577 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N[C@@H]1C[C@H]1c1ccsc1 ZINC001607084655 1097509755 /nfs/dbraw/zinc/50/97/55/1097509755.db2.gz RFRMMALQEQURPM-WDEREUQCSA-N -1 3 328.357 2.804 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N[C@@H]1C[C@H]1c1ccsc1 ZINC001607084655 1097509761 /nfs/dbraw/zinc/50/97/61/1097509761.db2.gz RFRMMALQEQURPM-WDEREUQCSA-N -1 3 328.357 2.804 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CN1CC[C@@H]1c1ccccc1 ZINC001607083475 1097510538 /nfs/dbraw/zinc/51/05/38/1097510538.db2.gz HUBNRYWJESZBGS-OAHLLOKOSA-N -1 3 336.355 2.722 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1CN1CC[C@@H]1c1ccccc1 ZINC001607083475 1097510542 /nfs/dbraw/zinc/51/05/42/1097510542.db2.gz HUBNRYWJESZBGS-OAHLLOKOSA-N -1 3 336.355 2.722 20 5 EFBDHM C[C@H]1CC[C@@](NCc2c(F)cc([N+](=O)[O-])cc2F)(C(=O)[O-])CC1 ZINC001607464893 1097633799 /nfs/dbraw/zinc/63/37/99/1097633799.db2.gz LGNXBIFXLBNAEI-AZKDTHOKSA-N -1 3 328.315 2.996 20 5 EFBDHM O=C([O-])[C@]1(c2ccccc2)CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC001608580393 1097960737 /nfs/dbraw/zinc/96/07/37/1097960737.db2.gz CHXVVFBGUOTBGS-GOSISDBHSA-N -1 3 344.342 2.962 20 5 EFBDHM O=C([O-])C[C@H](NCc1cc([N+](=O)[O-])ccc1Br)C1CC1 ZINC001608674805 1097987023 /nfs/dbraw/zinc/98/70/23/1097987023.db2.gz ZGYIFWUOZGXJRZ-LBPRGKRZSA-N -1 3 343.177 2.700 20 5 EFBDHM O=C([O-])c1cc(-c2ccc([C@@H]3CNCCO3)cc2)cc([N+](=O)[O-])c1 ZINC001608832375 1098037436 /nfs/dbraw/zinc/03/74/36/1098037436.db2.gz NCPMTQXLBNMAEJ-INIZCTEOSA-N -1 3 328.324 2.621 20 5 EFBDHM O=C([O-])c1cc(-c2ccc([C@H]3CNCCO3)cc2)cc([N+](=O)[O-])c1 ZINC001608832376 1098037811 /nfs/dbraw/zinc/03/78/11/1098037811.db2.gz NCPMTQXLBNMAEJ-MRXNPFEDSA-N -1 3 328.324 2.621 20 5 EFBDHM CC(=O)c1ccc(NCc2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC001609066952 1098129022 /nfs/dbraw/zinc/12/90/22/1098129022.db2.gz BIAMMSAOQYZYHL-UHFFFAOYSA-N -1 3 338.327 2.590 20 5 EFBDHM CC(=O)c1ccc(NCc2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC001609066952 1098129027 /nfs/dbraw/zinc/12/90/27/1098129027.db2.gz BIAMMSAOQYZYHL-UHFFFAOYSA-N -1 3 338.327 2.590 20 5 EFBDHM CC(C)(CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])c1ccccn1 ZINC001609084328 1098136490 /nfs/dbraw/zinc/13/64/90/1098136490.db2.gz UZCPQARQNSXZCM-UHFFFAOYSA-N -1 3 339.359 2.560 20 5 EFBDHM CC(C)(CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])c1ccccn1 ZINC001609084328 1098136497 /nfs/dbraw/zinc/13/64/97/1098136497.db2.gz UZCPQARQNSXZCM-UHFFFAOYSA-N -1 3 339.359 2.560 20 5 EFBDHM CC(C)(CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C(F)(F)F ZINC001609084113 1098136736 /nfs/dbraw/zinc/13/67/36/1098136736.db2.gz IMBRVESYMTVBFC-UHFFFAOYSA-N -1 3 330.270 2.775 20 5 EFBDHM CC(C)(CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C(F)(F)F ZINC001609084113 1098136740 /nfs/dbraw/zinc/13/67/40/1098136740.db2.gz IMBRVESYMTVBFC-UHFFFAOYSA-N -1 3 330.270 2.775 20 5 EFBDHM CC(C)(CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)C1(O)CCCC1 ZINC001609084155 1098136872 /nfs/dbraw/zinc/13/68/72/1098136872.db2.gz KXDNOUHLJZMBTI-UHFFFAOYSA-N -1 3 346.391 2.518 20 5 EFBDHM CC(C)[C@H]1N(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC12CCC2 ZINC001609092368 1098140122 /nfs/dbraw/zinc/14/01/22/1098140122.db2.gz HITJFOZDSSFJAG-CQSZACIVSA-N -1 3 328.376 2.790 20 5 EFBDHM CC(C)c1ccc(CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC001609104794 1098146935 /nfs/dbraw/zinc/14/69/35/1098146935.db2.gz OSQMJJJMCIHVSY-UHFFFAOYSA-N -1 3 339.359 2.905 20 5 EFBDHM CC(C)c1ccc(CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC001609104794 1098146940 /nfs/dbraw/zinc/14/69/40/1098146940.db2.gz OSQMJJJMCIHVSY-UHFFFAOYSA-N -1 3 339.359 2.905 20 5 EFBDHM C[C@@H]1CC[C@]2(CCN(c3cc(-c4nnn[n-]4)ccc3[N+](=O)[O-])C2)C1 ZINC001609163100 1098178176 /nfs/dbraw/zinc/17/81/76/1098178176.db2.gz RXTPWIFRKSONQV-BZNIZROVSA-N -1 3 328.376 2.791 20 5 EFBDHM C[C@@H]1CC[C@]2(CCN(c3cc(-c4nn[n-]n4)ccc3[N+](=O)[O-])C2)C1 ZINC001609163100 1098178179 /nfs/dbraw/zinc/17/81/79/1098178179.db2.gz RXTPWIFRKSONQV-BZNIZROVSA-N -1 3 328.376 2.791 20 5 EFBDHM C[C@@H]1Cc2ccccc2CN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609178095 1098182561 /nfs/dbraw/zinc/18/25/61/1098182561.db2.gz LRPGKLDQHSKQNM-LLVKDONJSA-N -1 3 336.355 2.726 20 5 EFBDHM C[C@@H]1Cc2ccccc2CN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609178095 1098182566 /nfs/dbraw/zinc/18/25/66/1098182566.db2.gz LRPGKLDQHSKQNM-LLVKDONJSA-N -1 3 336.355 2.726 20 5 EFBDHM CC[C@H](C)CC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC001609185619 1098187186 /nfs/dbraw/zinc/18/71/86/1098187186.db2.gz KSZHZUAVAISKTK-ZETCQYMHSA-N -1 3 338.755 2.803 20 5 EFBDHM CC[C@H](C)CC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC001609185619 1098187191 /nfs/dbraw/zinc/18/71/91/1098187191.db2.gz KSZHZUAVAISKTK-ZETCQYMHSA-N -1 3 338.755 2.803 20 5 EFBDHM CC[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)CC(F)(F)F ZINC001609190481 1098189713 /nfs/dbraw/zinc/18/97/13/1098189713.db2.gz LXYVWOQBRZWZTF-ZETCQYMHSA-N -1 3 345.285 2.560 20 5 EFBDHM CC[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)CC(F)(F)F ZINC001609190481 1098189717 /nfs/dbraw/zinc/18/97/17/1098189717.db2.gz LXYVWOQBRZWZTF-ZETCQYMHSA-N -1 3 345.285 2.560 20 5 EFBDHM CC[C@@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)C(F)F ZINC001609194728 1098192582 /nfs/dbraw/zinc/19/25/82/1098192582.db2.gz LZEVPALZFDYQCV-SNVBAGLBSA-N -1 3 349.301 2.779 20 5 EFBDHM CC[C@@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)C(F)F ZINC001609194728 1098192586 /nfs/dbraw/zinc/19/25/86/1098192586.db2.gz LZEVPALZFDYQCV-SNVBAGLBSA-N -1 3 349.301 2.779 20 5 EFBDHM CCO[C@@H]1C[C@@H](Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C12CCC2 ZINC001609238371 1098216263 /nfs/dbraw/zinc/21/62/63/1098216263.db2.gz KBJAHRMKIBUNNP-CHWSQXEVSA-N -1 3 344.375 2.535 20 5 EFBDHM CCO[C@@H]1C[C@@H](Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C12CCC2 ZINC001609238371 1098216267 /nfs/dbraw/zinc/21/62/67/1098216267.db2.gz KBJAHRMKIBUNNP-CHWSQXEVSA-N -1 3 344.375 2.535 20 5 EFBDHM CCOc1ccc(Oc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC001609245951 1098220467 /nfs/dbraw/zinc/22/04/67/1098220467.db2.gz USIHMDRGAAXHRV-UHFFFAOYSA-N -1 3 327.300 2.966 20 5 EFBDHM CCOc1ccc(Oc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC001609245951 1098220471 /nfs/dbraw/zinc/22/04/71/1098220471.db2.gz USIHMDRGAAXHRV-UHFFFAOYSA-N -1 3 327.300 2.966 20 5 EFBDHM CCc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC001609250997 1098224877 /nfs/dbraw/zinc/22/48/77/1098224877.db2.gz MQXLXEVWBDDJIP-UHFFFAOYSA-N -1 3 339.311 2.557 20 5 EFBDHM CCc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC001609250997 1098224885 /nfs/dbraw/zinc/22/48/85/1098224885.db2.gz MQXLXEVWBDDJIP-UHFFFAOYSA-N -1 3 339.311 2.557 20 5 EFBDHM CN(c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CC(OC(C)(C)C)C1 ZINC001609281496 1098237276 /nfs/dbraw/zinc/23/72/76/1098237276.db2.gz JJLIFLLWGWZMGC-UHFFFAOYSA-N -1 3 346.391 2.557 20 5 EFBDHM CN(c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CC(OC(C)(C)C)C1 ZINC001609281496 1098237280 /nfs/dbraw/zinc/23/72/80/1098237280.db2.gz JJLIFLLWGWZMGC-UHFFFAOYSA-N -1 3 346.391 2.557 20 5 EFBDHM COCc1cccc(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)c1 ZINC001609331031 1098250202 /nfs/dbraw/zinc/25/02/02/1098250202.db2.gz GYJOPPOIIHJTLL-UHFFFAOYSA-N -1 3 340.343 2.533 20 5 EFBDHM COc1cc(F)cc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC001609346433 1098257792 /nfs/dbraw/zinc/25/77/92/1098257792.db2.gz VOFWDEVFAJACGW-UHFFFAOYSA-N -1 3 330.279 2.666 20 5 EFBDHM COc1cc(F)cc(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC001609346433 1098257797 /nfs/dbraw/zinc/25/77/97/1098257797.db2.gz VOFWDEVFAJACGW-UHFFFAOYSA-N -1 3 330.279 2.666 20 5 EFBDHM COc1ccc(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1OC ZINC001609358130 1098263931 /nfs/dbraw/zinc/26/39/31/1098263931.db2.gz AWNCAQUGYPXKBN-UHFFFAOYSA-N -1 3 342.315 2.536 20 5 EFBDHM COc1ccc(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1OC ZINC001609358130 1098263938 /nfs/dbraw/zinc/26/39/38/1098263938.db2.gz AWNCAQUGYPXKBN-UHFFFAOYSA-N -1 3 342.315 2.536 20 5 EFBDHM COc1cccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1[N+](=O)[O-] ZINC001609362546 1098267655 /nfs/dbraw/zinc/26/76/55/1098267655.db2.gz ZIRHRBQIUUGUMF-JTQLQIEISA-N -1 3 340.343 2.957 20 5 EFBDHM COc1cccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1[N+](=O)[O-] ZINC001609362546 1098267658 /nfs/dbraw/zinc/26/76/58/1098267658.db2.gz ZIRHRBQIUUGUMF-JTQLQIEISA-N -1 3 340.343 2.957 20 5 EFBDHM C[C@@H](CC1CCCCC1)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609374773 1098272067 /nfs/dbraw/zinc/27/20/67/1098272067.db2.gz XOKAMNXKCASQDA-JTQLQIEISA-N -1 3 331.380 2.941 20 5 EFBDHM C[C@@H](CC1CCCCC1)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609374773 1098272072 /nfs/dbraw/zinc/27/20/72/1098272072.db2.gz XOKAMNXKCASQDA-JTQLQIEISA-N -1 3 331.380 2.941 20 5 EFBDHM Cc1occc1CN(C)c1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609404388 1098292597 /nfs/dbraw/zinc/29/25/97/1098292597.db2.gz VJUYIEFTBFJTTB-UHFFFAOYSA-N -1 3 328.332 2.621 20 5 EFBDHM Cc1occc1CN(C)c1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609404388 1098292602 /nfs/dbraw/zinc/29/26/02/1098292602.db2.gz VJUYIEFTBFJTTB-UHFFFAOYSA-N -1 3 328.332 2.621 20 5 EFBDHM Cc1cc(N2CCC3(CCC3)CC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609404648 1098295760 /nfs/dbraw/zinc/29/57/60/1098295760.db2.gz GZPAIRXYNQXRTF-UHFFFAOYSA-N -1 3 328.376 2.854 20 5 EFBDHM Cc1cc(N2CCC3(CCC3)CC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609404648 1098295766 /nfs/dbraw/zinc/29/57/66/1098295766.db2.gz GZPAIRXYNQXRTF-UHFFFAOYSA-N -1 3 328.376 2.854 20 5 EFBDHM Cc1cc(NCCCOCC(C)C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609409265 1098296637 /nfs/dbraw/zinc/29/66/37/1098296637.db2.gz DVUQUEHMQHRDBT-UHFFFAOYSA-N -1 3 334.380 2.558 20 5 EFBDHM Cc1cc(NCCCOCC(C)C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609409265 1098296641 /nfs/dbraw/zinc/29/66/41/1098296641.db2.gz DVUQUEHMQHRDBT-UHFFFAOYSA-N -1 3 334.380 2.558 20 5 EFBDHM Cc1cc(NC[C@H]2CCOC(C)(C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609409653 1098297551 /nfs/dbraw/zinc/29/75/51/1098297551.db2.gz SAMFQRLIZLMOIU-NSHDSACASA-N -1 3 346.391 2.700 20 5 EFBDHM Cc1cc(NC[C@H]2CCOC(C)(C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609409653 1098297557 /nfs/dbraw/zinc/29/75/57/1098297557.db2.gz SAMFQRLIZLMOIU-NSHDSACASA-N -1 3 346.391 2.700 20 5 EFBDHM Cc1cc(N[C@H]2C[C@@H](OC(C)(C)C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609410115 1098297582 /nfs/dbraw/zinc/29/75/82/1098297582.db2.gz LRZRNAFKBFVNON-PHIMTYICSA-N -1 3 346.391 2.841 20 5 EFBDHM Cc1cc(N[C@H]2C[C@@H](OC(C)(C)C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609410115 1098297590 /nfs/dbraw/zinc/29/75/90/1098297590.db2.gz LRZRNAFKBFVNON-PHIMTYICSA-N -1 3 346.391 2.841 20 5 EFBDHM Cc1cc(NC[C@@H](CCO)CC(C)C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609409772 1098297706 /nfs/dbraw/zinc/29/77/06/1098297706.db2.gz WOVQPJHURFFWTA-LBPRGKRZSA-N -1 3 348.407 2.540 20 5 EFBDHM Cc1cc(NC[C@@H](CCO)CC(C)C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609409772 1098297712 /nfs/dbraw/zinc/29/77/12/1098297712.db2.gz WOVQPJHURFFWTA-LBPRGKRZSA-N -1 3 348.407 2.540 20 5 EFBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)Oc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001609413432 1098300225 /nfs/dbraw/zinc/30/02/25/1098300225.db2.gz XZSPARYASBZRHQ-UHFFFAOYSA-N -1 3 339.311 2.611 20 5 EFBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)Oc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001609413432 1098300232 /nfs/dbraw/zinc/30/02/32/1098300232.db2.gz XZSPARYASBZRHQ-UHFFFAOYSA-N -1 3 339.311 2.611 20 5 EFBDHM Cc1nc(SCc2ccc([N+](=O)[O-])cc2)ccc1-c1nnn[n-]1 ZINC001609453865 1098333010 /nfs/dbraw/zinc/33/30/10/1098333010.db2.gz AKJITBPNQREXMJ-UHFFFAOYSA-N -1 3 328.357 2.771 20 5 EFBDHM Cc1nc(SCc2ccc([N+](=O)[O-])cc2)ccc1-c1nn[n-]n1 ZINC001609453865 1098333018 /nfs/dbraw/zinc/33/30/18/1098333018.db2.gz AKJITBPNQREXMJ-UHFFFAOYSA-N -1 3 328.357 2.771 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CCC(C2CCCC2)CC1 ZINC001609600521 1098394011 /nfs/dbraw/zinc/39/40/11/1098394011.db2.gz OKMPDZUCWUQIMZ-UHFFFAOYSA-N -1 3 343.391 2.577 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CCC(C2CCCC2)CC1 ZINC001609600521 1098394017 /nfs/dbraw/zinc/39/40/17/1098394017.db2.gz OKMPDZUCWUQIMZ-UHFFFAOYSA-N -1 3 343.391 2.577 20 5 EFBDHM O=[N+]([O-])c1cccc(F)c1OCc1ccc(F)cc1-c1nnn[n-]1 ZINC001609602662 1098395486 /nfs/dbraw/zinc/39/54/86/1098395486.db2.gz BYBLIVOVECGYCU-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1cccc(F)c1OCc1ccc(F)cc1-c1nn[n-]n1 ZINC001609602662 1098395492 /nfs/dbraw/zinc/39/54/92/1098395492.db2.gz BYBLIVOVECGYCU-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1ccc(Cl)c(C=Cc2ccncc2-c2nnn[n-]2)c1 ZINC001609601759 1098395587 /nfs/dbraw/zinc/39/55/87/1098395587.db2.gz YRRHRDRABIMRPU-OWOJBTEDSA-N -1 3 328.719 2.994 20 5 EFBDHM O=[N+]([O-])c1ccc(Cl)c(C=Cc2ccncc2-c2nn[n-]n2)c1 ZINC001609601759 1098395591 /nfs/dbraw/zinc/39/55/91/1098395591.db2.gz YRRHRDRABIMRPU-OWOJBTEDSA-N -1 3 328.719 2.994 20 5 EFBDHM O=[N+]([O-])c1cc(N2CC3C[C@@H]4CC2C[C@H](C3)C4)ccc1-c1nnn[n-]1 ZINC001609601449 1098395684 /nfs/dbraw/zinc/39/56/84/1098395684.db2.gz XRCOPIXCICUJHS-KCXRBIIJSA-N -1 3 340.387 2.790 20 5 EFBDHM O=[N+]([O-])c1cnc(NCc2cccc(Cl)c2F)c(-c2nnn[n-]2)c1 ZINC001609603526 1098396900 /nfs/dbraw/zinc/39/69/00/1098396900.db2.gz KOWSIDNVPYHKKS-UHFFFAOYSA-N -1 3 349.713 2.575 20 5 EFBDHM O=[N+]([O-])c1cnc(NCc2cccc(Cl)c2F)c(-c2nn[n-]n2)c1 ZINC001609603526 1098396907 /nfs/dbraw/zinc/39/69/07/1098396907.db2.gz KOWSIDNVPYHKKS-UHFFFAOYSA-N -1 3 349.713 2.575 20 5 EFBDHM CCC(CC)(CNCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(=O)[O-] ZINC001609914431 1098493184 /nfs/dbraw/zinc/49/31/84/1098493184.db2.gz HRMQWLBEOMXWEJ-UHFFFAOYSA-N -1 3 348.359 2.625 20 5 EFBDHM CN(CCSc1nc(C(=O)[O-])ccc1[N+](=O)[O-])Cc1ccccc1 ZINC001610116780 1098551392 /nfs/dbraw/zinc/55/13/92/1098551392.db2.gz FITGFADCOLZNSS-UHFFFAOYSA-N -1 3 347.396 2.912 20 5 EFBDHM COc1cc(CN(C)[C@H](C(=O)[O-])c2ccccc2)ccc1[N+](=O)[O-] ZINC001610293242 1098605446 /nfs/dbraw/zinc/60/54/46/1098605446.db2.gz VRQDCPFGBBNWRX-INIZCTEOSA-N -1 3 330.340 2.861 20 5 EFBDHM Cc1ccsc1CNCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001610537939 1098740733 /nfs/dbraw/zinc/74/07/33/1098740733.db2.gz DPVQMGKLGFNZNA-UHFFFAOYSA-N -1 3 336.369 2.718 20 5 EFBDHM O=C(NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC1)C1CC=CC1 ZINC001104381452 1102656395 /nfs/dbraw/zinc/65/63/95/1102656395.db2.gz NBNKBDFKDUREJE-UHFFFAOYSA-N -1 3 346.387 2.503 20 5 EFBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C1CCCCC1 ZINC001106664018 1111707119 /nfs/dbraw/zinc/70/71/19/1111707119.db2.gz PNLIRKGSHMHRKU-UHFFFAOYSA-N -1 3 336.392 2.536 20 5 EFBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C(C)(CC)CC ZINC001106774686 1111820430 /nfs/dbraw/zinc/82/04/30/1111820430.db2.gz WFYUKRQEORGMRI-UHFFFAOYSA-N -1 3 338.408 2.782 20 5 EFBDHM O=C(NC/C=C\CNc1ccc([N+](=O)[O-])cc1F)c1ccccc1[O-] ZINC001107046576 1120093632 /nfs/dbraw/zinc/09/36/32/1120093632.db2.gz ARGZLQBLWRVCGF-ARJAWSKDSA-N -1 3 345.330 2.838 20 5 EFBDHM CN(C)CCN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179460615 233056396 /nfs/dbraw/zinc/05/63/96/233056396.db2.gz QICXUEWAHXWAEN-UHFFFAOYSA-N -1 3 343.383 2.504 20 5 EFBDHM COc1cc(CNc2nnc(CCC(C)C)o2)c([N+](=O)[O-])cc1[O-] ZINC000181780999 234320826 /nfs/dbraw/zinc/32/08/26/234320826.db2.gz KFBPSGFJFQAMBO-UHFFFAOYSA-N -1 3 336.348 2.893 20 5 EFBDHM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000175970032 239297111 /nfs/dbraw/zinc/29/71/11/239297111.db2.gz GNHLCOWRCKFDKG-UHFFFAOYSA-N -1 3 341.302 2.700 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000023391433 212373978 /nfs/dbraw/zinc/37/39/78/212373978.db2.gz LFELAPOROTYPAU-NTZNESFSSA-N -1 3 342.417 2.706 20 5 EFBDHM CC(C)OCc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000193459340 240172919 /nfs/dbraw/zinc/17/29/19/240172919.db2.gz HAVISGWPQTZZHF-UHFFFAOYSA-N -1 3 331.328 2.873 20 5 EFBDHM C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@H](c1ccccc1)N(C)C ZINC000436895475 296104380 /nfs/dbraw/zinc/10/43/80/296104380.db2.gz VFVLFWWETQAJFN-SJKOYZFVSA-N -1 3 343.383 2.722 20 5 EFBDHM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@@H](c1ccccc1)N(C)C ZINC000436938087 296105189 /nfs/dbraw/zinc/10/51/89/296105189.db2.gz JXKQGHMLQMAGEM-PXAZEXFGSA-N -1 3 343.383 2.722 20 5 EFBDHM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1CN(C)C ZINC000414467369 244180709 /nfs/dbraw/zinc/18/07/09/244180709.db2.gz YWMPITOCCQBJCB-UHFFFAOYSA-N -1 3 349.412 2.766 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1nc2ccc(Cl)cn2n1 ZINC000427367177 247343630 /nfs/dbraw/zinc/34/36/30/247343630.db2.gz RDXJKUBVFJYRLG-UHFFFAOYSA-N -1 3 347.718 2.552 20 5 EFBDHM COc1ccc([N+](=O)[O-])cc1C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000435678010 249399502 /nfs/dbraw/zinc/39/95/02/249399502.db2.gz LEJWXIAOSCOGSZ-UHFFFAOYSA-N -1 3 338.323 2.668 20 5 EFBDHM Cc1ccc(C(=O)NCCNc2ccccc2[N+](=O)[O-])c([O-])c1C ZINC000436636455 249558664 /nfs/dbraw/zinc/55/86/64/249558664.db2.gz RDKUSPVCJZWIMB-UHFFFAOYSA-N -1 3 329.356 2.759 20 5 EFBDHM COc1ccc(NC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)c([O-])c1 ZINC000442698814 250104324 /nfs/dbraw/zinc/10/43/24/250104324.db2.gz IAEGFSSPLGATIG-UHFFFAOYSA-N -1 3 348.311 2.579 20 5 EFBDHM CC(C)n1cc2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc2n1 ZINC000445003162 250372981 /nfs/dbraw/zinc/37/29/81/250372981.db2.gz DSQIMNDBRZTZLJ-UHFFFAOYSA-N -1 3 341.327 2.878 20 5 EFBDHM CC[C@H]([N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000095433804 218376638 /nfs/dbraw/zinc/37/66/38/218376638.db2.gz JZNXYWQIZBHBIC-LBPRGKRZSA-N -1 3 341.414 2.622 20 5 EFBDHM COc1cc(CNC[C@](C)(OC)c2ccccc2)c([N+](=O)[O-])cc1[O-] ZINC000449485161 251041360 /nfs/dbraw/zinc/04/13/60/251041360.db2.gz PGIYHNSBDJKLSI-SFHVURJKSA-N -1 3 346.383 2.960 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2CCSCC2)c1C ZINC000268839135 252287891 /nfs/dbraw/zinc/28/78/91/252287891.db2.gz HMAPXIUZVIFNAZ-UHFFFAOYSA-N -1 3 344.458 2.633 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)c1ccccc1 ZINC000032400700 258058632 /nfs/dbraw/zinc/05/86/32/258058632.db2.gz XQFZXMQBULGBNA-NSHDSACASA-N -1 3 336.369 2.643 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-]Cc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000343462675 142003217 /nfs/dbraw/zinc/00/32/17/142003217.db2.gz CLCGTBXIWFYBIA-UHFFFAOYSA-N -1 3 348.352 2.721 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CSc2ccccc21 ZINC000344567510 142041521 /nfs/dbraw/zinc/04/15/21/142041521.db2.gz KBUARDXBHZFKNZ-LLVKDONJSA-N -1 3 336.394 2.720 20 5 EFBDHM O=C([N-]c1nncn1-c1ccccc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000344655983 142056236 /nfs/dbraw/zinc/05/62/36/142056236.db2.gz HKQWCRNGQJKAPG-UHFFFAOYSA-N -1 3 327.275 2.567 20 5 EFBDHM O=C(Nc1ccc(C(F)(F)F)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000344770992 142075276 /nfs/dbraw/zinc/07/52/76/142075276.db2.gz JUPUUCNXFFVJGT-UHFFFAOYSA-N -1 3 327.218 2.967 20 5 EFBDHM CS(=O)(=O)c1cc([N+](=O)[O-])ccc1Sc1cccc([O-])c1 ZINC000344988107 142108083 /nfs/dbraw/zinc/10/80/83/142108083.db2.gz VGKGOVJDQDTJSK-UHFFFAOYSA-N -1 3 325.367 2.855 20 5 EFBDHM Cc1ccc([O-])c(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000345923324 142118882 /nfs/dbraw/zinc/11/88/82/142118882.db2.gz GUORNKTXYIOPCG-UHFFFAOYSA-N -1 3 326.312 2.666 20 5 EFBDHM Cc1cc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc2[nH]ncc21 ZINC000346475681 142209879 /nfs/dbraw/zinc/20/98/79/142209879.db2.gz ISLNRUGPBDFADB-UHFFFAOYSA-N -1 3 346.368 2.889 20 5 EFBDHM Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc2[nH]ncc21 ZINC000346480650 142210141 /nfs/dbraw/zinc/21/01/41/142210141.db2.gz LXSURDJHYRKGNA-UHFFFAOYSA-N -1 3 346.368 2.889 20 5 EFBDHM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc2[nH]ncc21 ZINC000346487523 142210720 /nfs/dbraw/zinc/21/07/20/142210720.db2.gz QNFYLHWACNURCG-UHFFFAOYSA-N -1 3 332.341 2.580 20 5 EFBDHM Cc1oc(-c2cnn(C)c2)nc1C(=O)[N-]c1cc(F)cc([N+](=O)[O-])c1 ZINC000347941324 142296809 /nfs/dbraw/zinc/29/68/09/142296809.db2.gz CJECJYILOAAEMF-UHFFFAOYSA-N -1 3 345.290 2.683 20 5 EFBDHM O=C([N-]c1cc(F)cc([N+](=O)[O-])c1)c1csc(-c2cnccn2)n1 ZINC000347949198 142298567 /nfs/dbraw/zinc/29/85/67/142298567.db2.gz HKYIDVZHADUGJW-UHFFFAOYSA-N -1 3 345.315 2.900 20 5 EFBDHM O=C([N-]c1cc(F)cc([N+](=O)[O-])c1)c1ncn(-c2ccccc2)n1 ZINC000347963890 142300756 /nfs/dbraw/zinc/30/07/56/142300756.db2.gz USJHZPNJHUUOHJ-UHFFFAOYSA-N -1 3 327.275 2.567 20 5 EFBDHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H](C)C1 ZINC000352478873 142495125 /nfs/dbraw/zinc/49/51/25/142495125.db2.gz BFUJNTKMLIESDB-URLYPYJESA-N -1 3 330.381 2.837 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000354762055 146782051 /nfs/dbraw/zinc/78/20/51/146782051.db2.gz AIUDOCPDQNFXOB-NEPJUHHUSA-N -1 3 342.417 2.708 20 5 EFBDHM Cc1ccsc1CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000342488910 145136915 /nfs/dbraw/zinc/13/69/15/145136915.db2.gz LIJRCRJEVSHFSK-UHFFFAOYSA-N -1 3 346.455 2.856 20 5 EFBDHM CCSc1nnc([N-]C(=O)c2cc(F)cc([N+](=O)[O-])c2N)s1 ZINC000342873967 145212882 /nfs/dbraw/zinc/21/28/82/145212882.db2.gz NHDAJKILJPXCMZ-UHFFFAOYSA-N -1 3 343.365 2.532 20 5 EFBDHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342901964 145218296 /nfs/dbraw/zinc/21/82/96/145218296.db2.gz KKIPIHIMDNXKJU-UHFFFAOYSA-N -1 3 349.310 2.509 20 5 EFBDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342901964 145218297 /nfs/dbraw/zinc/21/82/97/145218297.db2.gz KKIPIHIMDNXKJU-UHFFFAOYSA-N -1 3 349.310 2.509 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC1Cc2ccccc2C1 ZINC000343846163 145307488 /nfs/dbraw/zinc/30/74/88/145307488.db2.gz JOCQRFHCCXLKFU-UHFFFAOYSA-N -1 3 346.408 2.597 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCCCS2)cc1C ZINC000343975145 145336627 /nfs/dbraw/zinc/33/66/27/145336627.db2.gz RJWACJLAEJKMER-GFCCVEGCSA-N -1 3 344.458 2.776 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCCCS2)cc1C ZINC000343975147 145336797 /nfs/dbraw/zinc/33/67/97/145336797.db2.gz RJWACJLAEJKMER-LBPRGKRZSA-N -1 3 344.458 2.776 20 5 EFBDHM CS[C@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000343981179 145338116 /nfs/dbraw/zinc/33/81/16/145338116.db2.gz JMRIDZPOSIIFRA-GFCCVEGCSA-N -1 3 332.447 2.651 20 5 EFBDHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344181078 145386710 /nfs/dbraw/zinc/38/67/10/145386710.db2.gz OLBGPTJCJAOTHW-UHFFFAOYSA-N -1 3 326.287 2.798 20 5 EFBDHM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cnc(COC)s1 ZINC000344214341 145394275 /nfs/dbraw/zinc/39/42/75/145394275.db2.gz SIYDXNQHHKXVPK-UHFFFAOYSA-N -1 3 337.357 2.849 20 5 EFBDHM COc1cc(CNc2nc3c(cccc3Cl)[nH]2)c([N+](=O)[O-])cc1[O-] ZINC000351565650 146147444 /nfs/dbraw/zinc/14/74/44/146147444.db2.gz CSLPDNCZEXMGLC-UHFFFAOYSA-N -1 3 348.746 2.873 20 5 EFBDHM O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1cc([O-])ccc1Cl ZINC000351788939 146203402 /nfs/dbraw/zinc/20/34/02/146203402.db2.gz CDBUFSJZNNZQRY-UHFFFAOYSA-N -1 3 335.747 2.796 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000352127052 146295824 /nfs/dbraw/zinc/29/58/24/146295824.db2.gz HWRBVQVXDKRCOZ-GRYCIOLGSA-N -1 3 342.417 2.706 20 5 EFBDHM Cc1c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cccc1-c1ncco1 ZINC000355684415 147034535 /nfs/dbraw/zinc/03/45/35/147034535.db2.gz PRRRIOYFUZLNSE-UHFFFAOYSA-N -1 3 340.295 2.911 20 5 EFBDHM CSc1ccc(Cl)cc1[N-]C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356471656 147253722 /nfs/dbraw/zinc/25/37/22/147253722.db2.gz AJHBFRBHZHSQFK-UHFFFAOYSA-N -1 3 326.765 2.956 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](C)C(F)(F)F)cc1C ZINC000356702617 147313549 /nfs/dbraw/zinc/31/35/49/147313549.db2.gz OLBHRJIHGBAOHH-SECBINFHSA-N -1 3 340.323 2.688 20 5 EFBDHM COc1ccc([O-])c(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000359140633 148006095 /nfs/dbraw/zinc/00/60/95/148006095.db2.gz QNWCMUQFBBSWCJ-UHFFFAOYSA-N -1 3 330.340 2.624 20 5 EFBDHM CCOC1(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CCCC1 ZINC000339030287 286008799 /nfs/dbraw/zinc/00/87/99/286008799.db2.gz YJLFHRHEFZEUIB-UHFFFAOYSA-N -1 3 342.417 2.531 20 5 EFBDHM CC[C@H](C)N[C@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccco1 ZINC000359538230 148115183 /nfs/dbraw/zinc/11/51/83/148115183.db2.gz HKCKBLPURPEPHP-XHDPSFHLSA-N -1 3 347.371 2.753 20 5 EFBDHM COc1ccc([N-]S(=O)(=O)CCc2ccccc2)cc1[N+](=O)[O-] ZINC000359842757 148204932 /nfs/dbraw/zinc/20/49/32/148204932.db2.gz CBGASNYGGYANQI-UHFFFAOYSA-N -1 3 336.369 2.588 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2(C(C)C)CC2)c1C ZINC000360221951 148303133 /nfs/dbraw/zinc/30/31/33/148303133.db2.gz YWTRDHIJSAUOPK-UHFFFAOYSA-N -1 3 326.418 2.926 20 5 EFBDHM Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])N(C)C)cc1 ZINC000436670620 292201084 /nfs/dbraw/zinc/20/10/84/292201084.db2.gz RCDQREJQEDQFNP-MRXNPFEDSA-N -1 3 343.383 2.642 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1NCCCNC(=O)c1cccc([O-])c1 ZINC000114709295 544571627 /nfs/dbraw/zinc/57/16/27/544571627.db2.gz RJTQRASSUQNBBY-UHFFFAOYSA-N -1 3 329.356 2.841 20 5 EFBDHM Cc1sc2[n-]c(Cn3cc([N+](=O)[O-])c(C4CC4)n3)nc(=O)c2c1C ZINC000185175360 265036731 /nfs/dbraw/zinc/03/67/31/265036731.db2.gz GNMWMLIMKXEDTP-UHFFFAOYSA-N -1 3 345.384 2.632 20 5 EFBDHM O=C(/C=C/c1cncc([O-])c1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000186021545 265054595 /nfs/dbraw/zinc/05/45/95/265054595.db2.gz MXGHKSYDYWDURC-DAFODLJHSA-N -1 3 333.731 2.678 20 5 EFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000186189472 265058448 /nfs/dbraw/zinc/05/84/48/265058448.db2.gz CJJOPFGLEIZRSR-BXKDBHETSA-N -1 3 346.380 2.600 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1ccc(Cl)cc1F ZINC000187830414 265118920 /nfs/dbraw/zinc/11/89/20/265118920.db2.gz IBXSXSXZEIECPY-UHFFFAOYSA-N -1 3 344.751 2.866 20 5 EFBDHM COc1cc(C[NH2+]C[C@@H](CC(=O)[O-])C(C)(C)C)c([N+](=O)[O-])cc1[O-] ZINC000277117654 273146901 /nfs/dbraw/zinc/14/69/01/273146901.db2.gz AUJIEDKCZMSAOC-LLVKDONJSA-N -1 3 340.376 2.536 20 5 EFBDHM CC(C)[C@@H](CNCc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)[O-] ZINC000277504452 273158636 /nfs/dbraw/zinc/15/86/36/273158636.db2.gz XUEOIAJCJMYZGB-LLVKDONJSA-N -1 3 332.303 2.643 20 5 EFBDHM Cc1nnc([N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)n1C1CC1 ZINC000285049265 273932979 /nfs/dbraw/zinc/93/29/79/273932979.db2.gz CADWZGDISWTGIP-UHFFFAOYSA-N -1 3 337.286 2.560 20 5 EFBDHM C[C@H]1C[C@@H]1c1cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)n[nH]1 ZINC000287411147 274414805 /nfs/dbraw/zinc/41/48/05/274414805.db2.gz QZKWWQCCNNXYLZ-CBAPKCEASA-N -1 3 326.316 2.570 20 5 EFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H]2CCCSC2)c1[N+](=O)[O-] ZINC000287489920 274431526 /nfs/dbraw/zinc/43/15/26/274431526.db2.gz QZMLQFJZBJFNBX-GFCCVEGCSA-N -1 3 344.458 2.633 20 5 EFBDHM C[C@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000288620287 274631006 /nfs/dbraw/zinc/63/10/06/274631006.db2.gz MEXBHQSUYOAAMW-BDJLRTHQSA-N -1 3 348.380 2.536 20 5 EFBDHM O=[N+]([O-])c1cccnc1[N-]c1cnn(-c2cnc3ccccc3n2)c1 ZINC000340076037 275040477 /nfs/dbraw/zinc/04/04/77/275040477.db2.gz KDMWTESDNCTTRY-UHFFFAOYSA-N -1 3 333.311 2.862 20 5 EFBDHM COC(=O)c1ccc(F)c([N-]C(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000055114677 292652926 /nfs/dbraw/zinc/65/29/26/292652926.db2.gz LCDHPWCHUYKVSN-UHFFFAOYSA-N -1 3 336.250 2.912 20 5 EFBDHM COc1cc(C(=O)N2CCCc3cccc([O-])c32)ccc1[N+](=O)[O-] ZINC000182905031 277796962 /nfs/dbraw/zinc/79/69/62/277796962.db2.gz LOXXEBANGKDQAE-UHFFFAOYSA-N -1 3 328.324 2.902 20 5 EFBDHM Cc1cc([N-]C(=O)c2ccc([N+](=O)[O-])o2)ncc1Br ZINC000094063898 280621094 /nfs/dbraw/zinc/62/10/94/280621094.db2.gz YZUSNKHCDZDUMQ-UHFFFAOYSA-N -1 3 326.106 2.906 20 5 EFBDHM Cc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)N(C)C)cc1 ZINC000063586807 292677793 /nfs/dbraw/zinc/67/77/93/292677793.db2.gz ZKUWQSUOIHQMHO-MRXNPFEDSA-N -1 3 343.383 2.642 20 5 EFBDHM O=C(c1ccc2n[n-]nc2c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000129496787 293135586 /nfs/dbraw/zinc/13/55/86/293135586.db2.gz IPRQQCHNOHMHDG-UHFFFAOYSA-N -1 3 337.339 2.671 20 5 EFBDHM Cc1cccc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1[O-] ZINC000130316928 293161451 /nfs/dbraw/zinc/16/14/51/293161451.db2.gz ABICLLYYCVZCEO-UHFFFAOYSA-N -1 3 341.367 2.571 20 5 EFBDHM CC(C)Oc1ncccc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000131400579 293195546 /nfs/dbraw/zinc/19/55/46/293195546.db2.gz YJDKVLNFPSAMOC-UHFFFAOYSA-N -1 3 341.327 2.906 20 5 EFBDHM CCOC(=O)c1cc(C(=O)[N-]c2ccncc2F)cc([N+](=O)[O-])c1 ZINC000132335590 293224797 /nfs/dbraw/zinc/22/47/97/293224797.db2.gz DQPAWTJGBAICCW-UHFFFAOYSA-N -1 3 333.275 2.558 20 5 EFBDHM CC[C@H](C)CO[N-]C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000292022750 294554773 /nfs/dbraw/zinc/55/47/73/294554773.db2.gz BKBUWEISPHKYRB-QMMMGPOBSA-N -1 3 348.302 2.912 20 5 EFBDHM O=[N+]([O-])c1cccc(C[N-]S(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000171423349 310747419 /nfs/dbraw/zinc/74/74/19/310747419.db2.gz VUNDWNPADFADKO-UHFFFAOYSA-N -1 3 344.751 2.866 20 5 EFBDHM Cc1nc(C(=O)[N-]c2cc3c(cc2[N+](=O)[O-])OCCCO3)c(C)o1 ZINC000298182317 310964934 /nfs/dbraw/zinc/96/49/34/310964934.db2.gz VGWGCIZLILYEHR-UHFFFAOYSA-N -1 3 333.300 2.613 20 5 EFBDHM CC(C)(C)n1nccc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000299199871 311060877 /nfs/dbraw/zinc/06/08/77/311060877.db2.gz UJUSLDKKBRZXMH-UHFFFAOYSA-N -1 3 328.332 2.675 20 5 EFBDHM CSc1nnc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000299539860 311094904 /nfs/dbraw/zinc/09/49/04/311094904.db2.gz OWZXYCPWSIXUQM-SSDOTTSWSA-N -1 3 339.402 2.554 20 5 EFBDHM CSc1n[n-]c(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 ZINC000299539860 311094905 /nfs/dbraw/zinc/09/49/05/311094905.db2.gz OWZXYCPWSIXUQM-SSDOTTSWSA-N -1 3 339.402 2.554 20 5 EFBDHM CSc1nc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)n[n-]1 ZINC000299539860 311094907 /nfs/dbraw/zinc/09/49/07/311094907.db2.gz OWZXYCPWSIXUQM-SSDOTTSWSA-N -1 3 339.402 2.554 20 5 EFBDHM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2ccc3c(c2)COC3)s1 ZINC000302074494 311176635 /nfs/dbraw/zinc/17/66/35/311176635.db2.gz IDVHGXNXGVRADF-UHFFFAOYSA-N -1 3 340.382 2.834 20 5 EFBDHM CS(=O)(=O)c1cc([N+](=O)[O-])c(Sc2cccc([O-])c2)s1 ZINC000302144805 311180360 /nfs/dbraw/zinc/18/03/60/311180360.db2.gz QQWOOVWKHXHEQL-UHFFFAOYSA-N -1 3 331.396 2.917 20 5 EFBDHM Cn1cnc([N+](=O)[O-])c1-c1noc(-c2cc3ccccc3cc2[O-])n1 ZINC000350909832 311833242 /nfs/dbraw/zinc/83/32/42/311833242.db2.gz XSYSWFADMXWEPI-UHFFFAOYSA-N -1 3 337.295 2.904 20 5 EFBDHM COc1ccc(-c2ccc(CNC[C@H](C)C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000417582598 312243587 /nfs/dbraw/zinc/24/35/87/312243587.db2.gz ITEPSTPZZBRYPN-JTQLQIEISA-N -1 3 334.328 2.674 20 5 EFBDHM CCC1(C[N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])CCCC1 ZINC000472339082 313187008 /nfs/dbraw/zinc/18/70/08/313187008.db2.gz BFZTYQLUKMSGKX-UHFFFAOYSA-N -1 3 342.417 2.852 20 5 EFBDHM O=C(c1n[n-]c2ccc([N+](=O)[O-])cc21)N1CCc2ccc(F)cc21 ZINC000478866906 313257277 /nfs/dbraw/zinc/25/72/77/313257277.db2.gz DFDSBSHSMMYSGR-UHFFFAOYSA-N -1 3 326.287 2.813 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]C/C=C/c2ccccc2)c([N+](=O)[O-])c1 ZINC000479996451 313278387 /nfs/dbraw/zinc/27/83/87/313278387.db2.gz XXTOQPNNFQBAGL-VMPITWQZSA-N -1 3 332.381 2.895 20 5 EFBDHM Cc1ccoc1C[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000490334637 313643683 /nfs/dbraw/zinc/64/36/83/313643683.db2.gz BDAIQUSLITZHCI-UHFFFAOYSA-N -1 3 344.776 2.937 20 5 EFBDHM CC[C@@H](C)C[C@@H](C)[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000491561406 313765314 /nfs/dbraw/zinc/76/53/14/313765314.db2.gz SSBGBHMDAUVWSM-NXEZZACHSA-N -1 3 348.396 2.846 20 5 EFBDHM COC(=O)Nc1ccc(C(=O)OCc2cccc([N+](=O)[O-])c2)cc1[O-] ZINC000492046332 313856953 /nfs/dbraw/zinc/85/69/53/313856953.db2.gz MXBMQAJTCOFIGG-UHFFFAOYSA-N -1 3 346.295 2.836 20 5 EFBDHM COc1ccccc1CO[N-]C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000492598729 314052012 /nfs/dbraw/zinc/05/20/12/314052012.db2.gz WBIQIQLWQWARPN-ZHACJKMWSA-N -1 3 328.324 2.865 20 5 EFBDHM CN(C)[C@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000516869569 315711933 /nfs/dbraw/zinc/71/19/33/315711933.db2.gz KUYULYLUCHICPH-QGZVFWFLSA-N -1 3 343.383 2.937 20 5 EFBDHM CCOc1cc([N-]C(=O)c2cc(C)on2)c([N+](=O)[O-])cc1OCC ZINC000518147558 315798198 /nfs/dbraw/zinc/79/81/98/315798198.db2.gz AUPMFUGQTQGWDH-UHFFFAOYSA-N -1 3 335.316 2.941 20 5 EFBDHM O=C([N-]c1cccc2ocnc21)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000519777885 315911977 /nfs/dbraw/zinc/91/19/77/315911977.db2.gz QGYVSBHQLJTGMH-UHFFFAOYSA-N -1 3 327.252 2.717 20 5 EFBDHM COc1ccc(CC(=O)N2CCCc3cccc([O-])c32)cc1[N+](=O)[O-] ZINC000540914892 317757735 /nfs/dbraw/zinc/75/77/35/317757735.db2.gz AKMGRQZERDYYBG-UHFFFAOYSA-N -1 3 342.351 2.831 20 5 EFBDHM CS[C@H](C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(C)(C)C ZINC000544103059 317874638 /nfs/dbraw/zinc/87/46/38/317874638.db2.gz QQGHFOPISWARDC-CYBMUJFWSA-N -1 3 346.474 2.959 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-]CC(C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC000546640622 317970193 /nfs/dbraw/zinc/97/01/93/317970193.db2.gz QSXDNYOTUDJXIZ-UHFFFAOYSA-N -1 3 330.431 2.679 20 5 EFBDHM C[C@H](NC(=O)N=c1cc2ccccn2[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000554412307 318311470 /nfs/dbraw/zinc/31/14/70/318311470.db2.gz YDSSDXORERLXTO-NSHDSACASA-N -1 3 325.328 2.547 20 5 EFBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)[C@@H]1C[C@H]1C1CCC1 ZINC000563334556 318769451 /nfs/dbraw/zinc/76/94/51/318769451.db2.gz OLSQLIKYKVYXRM-UONOGXRCSA-N -1 3 326.356 2.782 20 5 EFBDHM O=c1[n-]cnc2c1CCN(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C2 ZINC000564141934 318843815 /nfs/dbraw/zinc/84/38/15/318843815.db2.gz CHQSNEAXHMIRCR-UHFFFAOYSA-N -1 3 340.261 2.672 20 5 EFBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000566367352 319067998 /nfs/dbraw/zinc/06/79/98/319067998.db2.gz DMTVBNQTFGUHNJ-PXAZEXFGSA-N -1 3 336.388 2.925 20 5 EFBDHM CCOc1cc(CN2CC[C@](C(=O)[O-])(C(C)C)C2)ccc1[N+](=O)[O-] ZINC000566367120 319068008 /nfs/dbraw/zinc/06/80/08/319068008.db2.gz IZHXNOYWPNTWGZ-QGZVFWFLSA-N -1 3 336.388 2.926 20 5 EFBDHM O=C(Cc1cncc([O-])c1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000566472648 319081663 /nfs/dbraw/zinc/08/16/63/319081663.db2.gz QSIVRMJHHFYNCQ-HNNXBMFYSA-N -1 3 341.367 2.644 20 5 EFBDHM CN(C)C[C@@H]1CCCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000567944273 319228871 /nfs/dbraw/zinc/22/88/71/319228871.db2.gz IDIIWKZHLLAQIM-NSHDSACASA-N -1 3 341.795 2.510 20 5 EFBDHM CCn1c2ccc(C)cc2nc1NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000182628691 323292466 /nfs/dbraw/zinc/29/24/66/323292466.db2.gz UVTYLDYGIVOVCW-UHFFFAOYSA-N -1 3 341.327 2.626 20 5 EFBDHM CN1CCc2ccc(NC(=O)c3n[n-]c4ccc([N+](=O)[O-])cc43)cc21 ZINC000183024913 323312523 /nfs/dbraw/zinc/31/25/23/323312523.db2.gz MMQKWOWJNMNPPZ-UHFFFAOYSA-N -1 3 337.339 2.716 20 5 EFBDHM C[C@H](C(=O)NCc1ccc([O-])c(F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000183330018 323330310 /nfs/dbraw/zinc/33/03/10/323330310.db2.gz ZEYPQMOVUBDDSS-VIFPVBQESA-N -1 3 336.294 2.999 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCC[C@H](F)C2)c1C ZINC000579349007 323939690 /nfs/dbraw/zinc/93/96/90/323939690.db2.gz VLSWYSCQDHNBLC-RYUDHWBXSA-N -1 3 330.381 2.771 20 5 EFBDHM O=C(Nc1nnc(-c2c(F)cccc2F)[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000081731371 473246973 /nfs/dbraw/zinc/24/69/73/473246973.db2.gz ZUVYIJICZCMHHQ-UHFFFAOYSA-N -1 3 345.265 2.910 20 5 EFBDHM O=C(Nc1nc(-c2c(F)cccc2F)n[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000081731371 473246979 /nfs/dbraw/zinc/24/69/79/473246979.db2.gz ZUVYIJICZCMHHQ-UHFFFAOYSA-N -1 3 345.265 2.910 20 5 EFBDHM COC(=O)c1sccc1[N-]C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000145942576 473295749 /nfs/dbraw/zinc/29/57/49/473295749.db2.gz JYKNTJSPAQYFMR-UHFFFAOYSA-N -1 3 336.325 2.704 20 5 EFBDHM CCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000162675358 473370484 /nfs/dbraw/zinc/37/04/84/473370484.db2.gz NRLOPUMWMVPJFQ-UHFFFAOYSA-N -1 3 326.296 2.692 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)c1ccsc1 ZINC000619752384 479874939 /nfs/dbraw/zinc/87/49/39/479874939.db2.gz WQCZNQXXFYQQIE-VIFPVBQESA-N -1 3 342.398 2.704 20 5 EFBDHM Cc1nc2ccc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)cc2s1 ZINC000010784376 471741673 /nfs/dbraw/zinc/74/16/73/471741673.db2.gz IIZBUXCUQKFOMX-UHFFFAOYSA-N -1 3 330.325 2.866 20 5 EFBDHM O=C([N-]c1cc(F)ccc1F)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000020675017 471993076 /nfs/dbraw/zinc/99/30/76/471993076.db2.gz BZNDLHSDQFSBEZ-UHFFFAOYSA-N -1 3 336.250 2.897 20 5 EFBDHM CN(C)C(=O)c1cc([N-]C(=O)c2ccc([N+](=O)[O-])o2)ccc1Cl ZINC000041932933 472096963 /nfs/dbraw/zinc/09/69/63/472096963.db2.gz DHNWKDNTHQKBBP-UHFFFAOYSA-N -1 3 337.719 2.795 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCc1ccc(F)cc1 ZINC000055949501 472261551 /nfs/dbraw/zinc/26/15/51/472261551.db2.gz VJLIKTQSMDFNDW-UHFFFAOYSA-N -1 3 338.360 2.563 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCc1ccccc1F ZINC000055973718 472266834 /nfs/dbraw/zinc/26/68/34/472266834.db2.gz KVFDQQVNFSWMGU-UHFFFAOYSA-N -1 3 338.360 2.563 20 5 EFBDHM CCc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)s1 ZINC000056060327 472277050 /nfs/dbraw/zinc/27/70/50/472277050.db2.gz RMKSEJUCVBJOHE-UHFFFAOYSA-N -1 3 344.389 2.836 20 5 EFBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000056088559 472279926 /nfs/dbraw/zinc/27/99/26/472279926.db2.gz MOSLMZMKWQYUBG-UHFFFAOYSA-N -1 3 344.751 2.866 20 5 EFBDHM Cc1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000030443876 472333179 /nfs/dbraw/zinc/33/31/79/472333179.db2.gz YPYZAWPJMFYZQE-UHFFFAOYSA-N -1 3 344.776 2.671 20 5 EFBDHM CN(C)c1ccccc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000033123651 472498974 /nfs/dbraw/zinc/49/89/74/472498974.db2.gz KIYVMEGIXVZYEA-UHFFFAOYSA-N -1 3 325.328 2.789 20 5 EFBDHM COc1ccsc1S(=O)(=O)[N-][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000155409402 472544942 /nfs/dbraw/zinc/54/49/42/472544942.db2.gz FWCMPPNIBCTJDA-SECBINFHSA-N -1 3 342.398 2.704 20 5 EFBDHM C[C@@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000077617282 472567210 /nfs/dbraw/zinc/56/72/10/472567210.db2.gz SDAYMOGQDSUJLQ-YGRLFVJLSA-N -1 3 336.369 2.790 20 5 EFBDHM C[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1cccc([N+](=O)[O-])c1 ZINC000058516641 472579196 /nfs/dbraw/zinc/57/91/96/472579196.db2.gz HZWKWHKAYHFTRE-LLVKDONJSA-N -1 3 337.335 2.927 20 5 EFBDHM CCc1cc(=O)[n-]c(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000155708729 472600226 /nfs/dbraw/zinc/60/02/26/472600226.db2.gz MOCTUEUHDYKGOB-UHFFFAOYSA-N -1 3 328.372 2.817 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1cc2ccccc2o1 ZINC000079269725 472841329 /nfs/dbraw/zinc/84/13/29/472841329.db2.gz ZJDDGBGQTDUODE-UHFFFAOYSA-N -1 3 332.337 2.820 20 5 EFBDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134664732 472948227 /nfs/dbraw/zinc/94/82/27/472948227.db2.gz SQYXPKBIKCCXKS-UHFFFAOYSA-N -1 3 335.629 2.637 20 5 EFBDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134664732 472948233 /nfs/dbraw/zinc/94/82/33/472948233.db2.gz SQYXPKBIKCCXKS-UHFFFAOYSA-N -1 3 335.629 2.637 20 5 EFBDHM O=C(Nc1cnn(-c2ccccc2)c1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000122321678 473000551 /nfs/dbraw/zinc/00/05/51/473000551.db2.gz RBMIAFSJWGMFGB-UHFFFAOYSA-N -1 3 348.322 2.909 20 5 EFBDHM CCOc1cc(C(=O)[N-]c2ccncc2F)c([N+](=O)[O-])cc1OC ZINC000122664729 473043561 /nfs/dbraw/zinc/04/35/61/473043561.db2.gz YZOJAWOTMGNCDI-UHFFFAOYSA-N -1 3 335.291 2.789 20 5 EFBDHM O=C(Nc1nc(-c2ccco2)cs1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000122974702 473082688 /nfs/dbraw/zinc/08/26/88/473082688.db2.gz VUCZPKSRJUSTHT-UHFFFAOYSA-N -1 3 332.297 2.664 20 5 EFBDHM Cc1conc1[N-]C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000123338658 473129294 /nfs/dbraw/zinc/12/92/94/473129294.db2.gz ZXLFJSIANBEPEH-UHFFFAOYSA-N -1 3 326.106 2.906 20 5 EFBDHM Cc1ccc(-c2nnc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)[n-]2)o1 ZINC000160343174 473110029 /nfs/dbraw/zinc/11/00/29/473110029.db2.gz LHWNXSLGOBIJOJ-UHFFFAOYSA-N -1 3 327.300 2.842 20 5 EFBDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)n2)o1 ZINC000160343174 473110035 /nfs/dbraw/zinc/11/00/35/473110035.db2.gz LHWNXSLGOBIJOJ-UHFFFAOYSA-N -1 3 327.300 2.842 20 5 EFBDHM Cc1ccc(-c2nc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)n[n-]2)o1 ZINC000160343174 473110041 /nfs/dbraw/zinc/11/00/41/473110041.db2.gz LHWNXSLGOBIJOJ-UHFFFAOYSA-N -1 3 327.300 2.842 20 5 EFBDHM COc1cc(C)cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1[O-] ZINC000093920591 473163359 /nfs/dbraw/zinc/16/33/59/473163359.db2.gz BLYAVZSFJKXJRG-UHFFFAOYSA-N -1 3 328.324 2.820 20 5 EFBDHM CCc1cc(=O)[n-]c(CSCCOc2ccccc2[N+](=O)[O-])n1 ZINC000125688212 473447099 /nfs/dbraw/zinc/44/70/99/473447099.db2.gz QUWAWDPIVBBIRF-UHFFFAOYSA-N -1 3 335.385 2.965 20 5 EFBDHM O=[N+]([O-])c1ccc(CCCC[N-]S(=O)(=O)c2cccs2)cc1 ZINC000151411672 473453615 /nfs/dbraw/zinc/45/36/15/473453615.db2.gz ASNMFXMUFWCREC-UHFFFAOYSA-N -1 3 340.426 2.958 20 5 EFBDHM CC[C@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000151488772 473464003 /nfs/dbraw/zinc/46/40/03/473464003.db2.gz PFLNXFVFHFXHGG-ZDUSSCGKSA-N -1 3 341.414 2.655 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCCC(C)(C)C ZINC000151581649 473474651 /nfs/dbraw/zinc/47/46/51/473474651.db2.gz RPXDRQBBOKDITR-UHFFFAOYSA-N -1 3 330.406 2.708 20 5 EFBDHM COc1ccsc1C(=O)[N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000114795173 473505673 /nfs/dbraw/zinc/50/56/73/473505673.db2.gz JTQRIEIBQWMUOK-UHFFFAOYSA-N -1 3 345.340 2.702 20 5 EFBDHM CC(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000179028571 473615446 /nfs/dbraw/zinc/61/54/46/473615446.db2.gz UIPRRENNOJFYOQ-UHFFFAOYSA-N -1 3 340.323 2.938 20 5 EFBDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000186317957 473648120 /nfs/dbraw/zinc/64/81/20/473648120.db2.gz VWTDUTKNMMQTGO-NSHDSACASA-N -1 3 344.371 2.736 20 5 EFBDHM CN(C)CCN(Cc1cccs1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179541263 473693397 /nfs/dbraw/zinc/69/33/97/473693397.db2.gz MKLMPBHJYAYRMO-UHFFFAOYSA-N -1 3 349.412 2.566 20 5 EFBDHM Cc1coc(-c2cccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)c2)n1 ZINC000187186102 473832130 /nfs/dbraw/zinc/83/21/30/473832130.db2.gz WJGGGSCITYZCPF-UHFFFAOYSA-N -1 3 340.295 2.911 20 5 EFBDHM C[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@@H](c1ccccc1)N(C)C ZINC000274789424 473958723 /nfs/dbraw/zinc/95/87/23/473958723.db2.gz PRTBQSBMRHSYAX-SJCJKPOMSA-N -1 3 343.383 2.722 20 5 EFBDHM COC(=O)c1nc([N-]C(=O)c2ccc([N+](=O)[O-])o2)sc1C(C)C ZINC000289022591 474123844 /nfs/dbraw/zinc/12/38/44/474123844.db2.gz CMHVICRQEDHIBP-UHFFFAOYSA-N -1 3 339.329 2.807 20 5 EFBDHM CCS[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000175280139 474178713 /nfs/dbraw/zinc/17/87/13/474178713.db2.gz QDZZDWBDOOZUGM-JQWIXIFHSA-N -1 3 330.431 2.547 20 5 EFBDHM CC(C)[C@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ncc[nH]1 ZINC000282922439 474242442 /nfs/dbraw/zinc/24/24/42/474242442.db2.gz FWWOKLKOUQJYDV-LBPRGKRZSA-N -1 3 338.314 2.923 20 5 EFBDHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])s1 ZINC000175630246 474269306 /nfs/dbraw/zinc/26/93/06/474269306.db2.gz BIYVKSRJJCQOEV-JTQLQIEISA-N -1 3 341.414 2.708 20 5 EFBDHM CCS[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000175703336 474287471 /nfs/dbraw/zinc/28/74/71/474287471.db2.gz WRNSEODROGTERK-WCQYABFASA-N -1 3 344.458 2.937 20 5 EFBDHM COc1cc(CNC[C@@H](O)c2cc(C)cc(C)c2)c([N+](=O)[O-])cc1[O-] ZINC000283124824 474311615 /nfs/dbraw/zinc/31/16/15/474311615.db2.gz ZGHYKNJXMNXJQU-QGZVFWFLSA-N -1 3 346.383 2.749 20 5 EFBDHM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2n[nH]c(C3CCC3)n2)c1 ZINC000283215188 474340578 /nfs/dbraw/zinc/34/05/78/474340578.db2.gz RWKRQBLMGYDCQS-UHFFFAOYSA-N -1 3 331.332 2.631 20 5 EFBDHM Cc1cc(S(=O)(=O)[N-]CCCC(F)(F)F)cc([N+](=O)[O-])c1F ZINC000271456183 474555549 /nfs/dbraw/zinc/55/55/49/474555549.db2.gz QNHGPMBJXOJPLJ-UHFFFAOYSA-N -1 3 344.286 2.663 20 5 EFBDHM CCn1nc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1C1CC1 ZINC000267363772 474659413 /nfs/dbraw/zinc/65/94/13/474659413.db2.gz DCKNKWSFGGQVLD-UHFFFAOYSA-N -1 3 340.343 2.817 20 5 EFBDHM CC[C@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])C(C)(C)C ZINC000609233911 480130129 /nfs/dbraw/zinc/13/01/29/480130129.db2.gz BSRPMMKMKZHVTK-ZDUSSCGKSA-N -1 3 330.406 2.706 20 5 EFBDHM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]OC[C@@H](C)CC)cc1OC ZINC000292148141 474875507 /nfs/dbraw/zinc/87/55/07/474875507.db2.gz RTBFRWJYGGOZEP-JTQLQIEISA-N -1 3 326.349 2.710 20 5 EFBDHM COCCc1ccnc(NCc2cc(OC)c([O-])cc2[N+](=O)[O-])c1 ZINC000285069366 474881851 /nfs/dbraw/zinc/88/18/51/474881851.db2.gz DYPOZXISFPBPSO-UHFFFAOYSA-N -1 3 333.344 2.505 20 5 EFBDHM CC[C@H](C)n1nc(NCc2cc(OC)c([O-])cc2[N+](=O)[O-])cc1C ZINC000345158026 474945768 /nfs/dbraw/zinc/94/57/68/474945768.db2.gz DBNAHAPBMMAMPL-JTQLQIEISA-N -1 3 334.376 2.819 20 5 EFBDHM CCCC[C@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000273603319 474986732 /nfs/dbraw/zinc/98/67/32/474986732.db2.gz GLDXWSDDDPJARQ-LBPRGKRZSA-N -1 3 344.314 2.535 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]CCC[C@@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC000354698952 475346284 /nfs/dbraw/zinc/34/62/84/475346284.db2.gz VLPLOZICMRTZDV-ZDUSSCGKSA-N -1 3 342.417 2.531 20 5 EFBDHM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000352527791 475382843 /nfs/dbraw/zinc/38/28/43/475382843.db2.gz FIBBEIZTNFXMMB-JTQLQIEISA-N -1 3 346.368 2.511 20 5 EFBDHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cccc([N+](=O)[O-])c1Cl ZINC000296725971 475448175 /nfs/dbraw/zinc/44/81/75/475448175.db2.gz MCYBIYMWSLNJMU-UHFFFAOYSA-N -1 3 345.739 2.643 20 5 EFBDHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000296725971 475448183 /nfs/dbraw/zinc/44/81/83/475448183.db2.gz MCYBIYMWSLNJMU-UHFFFAOYSA-N -1 3 345.739 2.643 20 5 EFBDHM COCC[C@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(C)(C)C ZINC000337959125 475461778 /nfs/dbraw/zinc/46/17/78/475461778.db2.gz GUUKPNPTFJKQDS-ZDUSSCGKSA-N -1 3 344.433 2.633 20 5 EFBDHM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]CC2(C(F)(F)F)CCC2)c1 ZINC000352640797 475482923 /nfs/dbraw/zinc/48/29/23/475482923.db2.gz MZOIKIICLJBLMM-UHFFFAOYSA-N -1 3 338.307 2.606 20 5 EFBDHM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]CC(F)(F)c2ccccc2)c1 ZINC000352709334 475551040 /nfs/dbraw/zinc/55/10/40/475551040.db2.gz KNEOUYIEPLYOMJ-UHFFFAOYSA-N -1 3 342.323 2.665 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000352739494 475582020 /nfs/dbraw/zinc/58/20/20/475582020.db2.gz ZBDJDHYUDJHTSX-RYUDHWBXSA-N -1 3 342.417 2.708 20 5 EFBDHM O=C(N=c1cc(-c2cccnc2)[n-][nH]1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000343017829 475701028 /nfs/dbraw/zinc/70/10/28/475701028.db2.gz VAVWIIUCMAFDFN-UHFFFAOYSA-N -1 3 348.322 2.535 20 5 EFBDHM CCCCOc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cn1 ZINC000361766780 475734668 /nfs/dbraw/zinc/73/46/68/475734668.db2.gz UEKOWRUFQGZYMP-UHFFFAOYSA-N -1 3 332.316 2.522 20 5 EFBDHM O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1nc[n-]n1 ZINC000358528304 475748027 /nfs/dbraw/zinc/74/80/27/475748027.db2.gz KTXSUVKPGXZGTP-UHFFFAOYSA-N -1 3 325.284 2.758 20 5 EFBDHM Cc1nc2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2[nH]1 ZINC000340148838 475799728 /nfs/dbraw/zinc/79/97/28/475799728.db2.gz CFPLRMZOQRLGKX-UHFFFAOYSA-N -1 3 332.341 2.580 20 5 EFBDHM COCc1ccccc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000343184163 475840733 /nfs/dbraw/zinc/84/07/33/475840733.db2.gz QPNWQZJFJBOZFP-UHFFFAOYSA-N -1 3 326.312 2.870 20 5 EFBDHM CCCCn1c(=O)[n-]nc1SCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361965552 475901929 /nfs/dbraw/zinc/90/19/29/475901929.db2.gz GWYGFNFOBJODFO-UHFFFAOYSA-N -1 3 348.388 2.861 20 5 EFBDHM Cn1c(C(=O)Nc2cc(Br)ccc2[O-])ccc1[N+](=O)[O-] ZINC000340313706 475939431 /nfs/dbraw/zinc/93/94/31/475939431.db2.gz MNQGMSPENXWCGY-UHFFFAOYSA-N -1 3 340.133 2.654 20 5 EFBDHM CCc1ccc([O-])c(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000340326079 475947572 /nfs/dbraw/zinc/94/75/72/475947572.db2.gz FTAVUAXFUGGLCD-UHFFFAOYSA-N -1 3 344.323 2.886 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)CC(F)(F)F ZINC000362097592 475998645 /nfs/dbraw/zinc/99/86/45/475998645.db2.gz MXMLHDUNKPAGEG-QMMMGPOBSA-N -1 3 326.296 2.522 20 5 EFBDHM CCc1[nH]nc(C(=O)[N-]c2nc(-c3cccnc3)cs2)c1[N+](=O)[O-] ZINC000358940555 476056790 /nfs/dbraw/zinc/05/67/90/476056790.db2.gz UPSSQLZBMUIKND-UHFFFAOYSA-N -1 3 344.356 2.651 20 5 EFBDHM Cc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c(C)c1 ZINC000340521182 476081554 /nfs/dbraw/zinc/08/15/54/476081554.db2.gz UYTBPQQVAJKOTI-UHFFFAOYSA-N -1 3 338.360 2.829 20 5 EFBDHM O=C([N-]c1ncc(-c2ccccc2F)s1)c1n[nH]cc1[N+](=O)[O-] ZINC000338697046 476116433 /nfs/dbraw/zinc/11/64/33/476116433.db2.gz BXGQHGITFHVORK-UHFFFAOYSA-N -1 3 333.304 2.833 20 5 EFBDHM CCc1ccc([N+](=O)[O-])cc1NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000362345727 476184716 /nfs/dbraw/zinc/18/47/16/476184716.db2.gz PKLNBOMAGMEDCK-UHFFFAOYSA-N -1 3 344.371 2.841 20 5 EFBDHM COc1ccc(C(=O)[N-]c2nnc(C(F)F)s2)cc1[N+](=O)[O-] ZINC000336896434 476186914 /nfs/dbraw/zinc/18/69/14/476186914.db2.gz SAGKZJHDSNZNBQ-UHFFFAOYSA-N -1 3 330.272 2.645 20 5 EFBDHM COC(=O)c1ccc(-c2nc(Cc3ccc([N+](=O)[O-])c(C)c3)no2)[n-]1 ZINC000350524620 476230971 /nfs/dbraw/zinc/23/09/71/476230971.db2.gz NZQKKFFVDIATAD-UHFFFAOYSA-N -1 3 342.311 2.659 20 5 EFBDHM O=C([N-]c1ccc(-c2nc[nH]n2)cc1F)c1ccc([N+](=O)[O-])s1 ZINC000344307383 476235745 /nfs/dbraw/zinc/23/57/45/476235745.db2.gz LTGASMXNWBOOLH-UHFFFAOYSA-N -1 3 333.304 2.833 20 5 EFBDHM Cc1ccc(F)c(S(=O)(=O)[N-]CCc2ccccc2[N+](=O)[O-])c1 ZINC000360878041 476447296 /nfs/dbraw/zinc/44/72/96/476447296.db2.gz LLKVXFJKDSLSOG-UHFFFAOYSA-N -1 3 338.360 2.563 20 5 EFBDHM CCc1nn(C)c(Sc2n[n-]c(-c3ccccc3F)n2)c1[N+](=O)[O-] ZINC000360880912 476450628 /nfs/dbraw/zinc/45/06/28/476450628.db2.gz GMEJRFXOPGHJTM-UHFFFAOYSA-N -1 3 348.363 2.966 20 5 EFBDHM COCc1nc(Sc2ccc([N+](=O)[O-])cc2Br)n[n-]1 ZINC000354161269 476471147 /nfs/dbraw/zinc/47/11/47/476471147.db2.gz FLUPMYFCPCDHQQ-UHFFFAOYSA-N -1 3 345.178 2.773 20 5 EFBDHM O=C(c1n[n-]c2ccc([N+](=O)[O-])cc21)N1CCOCc2ccccc21 ZINC000352229772 476567655 /nfs/dbraw/zinc/56/76/55/476567655.db2.gz VEDGIFNQRLCDBR-UHFFFAOYSA-N -1 3 338.323 2.648 20 5 EFBDHM CC1(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000354320204 476583615 /nfs/dbraw/zinc/58/36/15/476583615.db2.gz VCHMPBXCTMGRMT-UHFFFAOYSA-N -1 3 346.408 2.678 20 5 EFBDHM CCO[C@@H](CC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)C(C)C ZINC000352286533 476612676 /nfs/dbraw/zinc/61/26/76/476612676.db2.gz RUPPYGXGPGPQDI-HNNXBMFYSA-N -1 3 346.387 2.797 20 5 EFBDHM CCc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000365771520 476690985 /nfs/dbraw/zinc/69/09/85/476690985.db2.gz CHHRMIAMDGIFKO-UHFFFAOYSA-N -1 3 338.327 2.590 20 5 EFBDHM CCc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000365771520 476690996 /nfs/dbraw/zinc/69/09/96/476690996.db2.gz CHHRMIAMDGIFKO-UHFFFAOYSA-N -1 3 338.327 2.590 20 5 EFBDHM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000354507691 476696179 /nfs/dbraw/zinc/69/61/79/476696179.db2.gz IHHHANPEYRKTMO-GIPNMCIBSA-N -1 3 330.381 2.837 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000354510540 476698222 /nfs/dbraw/zinc/69/82/22/476698222.db2.gz NWQCOGAHDXTDEB-NTZNESFSSA-N -1 3 342.417 2.706 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000354510537 476698509 /nfs/dbraw/zinc/69/85/09/476698509.db2.gz NWQCOGAHDXTDEB-GMXVVIOVSA-N -1 3 342.417 2.706 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCC(F)(F)C2)cc1C ZINC000429973560 476726772 /nfs/dbraw/zinc/72/67/72/476726772.db2.gz OANVAPUMCPYFNF-LLVKDONJSA-N -1 3 348.371 2.925 20 5 EFBDHM C[C@@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000390539259 476796526 /nfs/dbraw/zinc/79/65/26/476796526.db2.gz KUSZLNGJZQDXQU-LBPRGKRZSA-N -1 3 344.371 2.620 20 5 EFBDHM O=C([O-])c1cccc2c1CCN(CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000392348281 476824541 /nfs/dbraw/zinc/82/45/41/476824541.db2.gz HFNAZGYMHSYWKF-UHFFFAOYSA-N -1 3 326.352 2.894 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCC1CC(F)(F)C1 ZINC000416501908 477190708 /nfs/dbraw/zinc/19/07/08/477190708.db2.gz NLNFYZPYRQSKDQ-UHFFFAOYSA-N -1 3 334.344 2.617 20 5 EFBDHM CCC(C)(C)OCC[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000416521307 477198848 /nfs/dbraw/zinc/19/88/48/477198848.db2.gz AQXBPOPCDJPYPC-UHFFFAOYSA-N -1 3 344.433 2.695 20 5 EFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@]2(C)CC=CCC2)cc1[N+](=O)[O-] ZINC000416559230 477217798 /nfs/dbraw/zinc/21/77/98/477217798.db2.gz NSKCLZAIXQRLEN-CQSZACIVSA-N -1 3 344.364 2.520 20 5 EFBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)C1Cc2ccccc2C1 ZINC000432509096 477225626 /nfs/dbraw/zinc/22/56/26/477225626.db2.gz IXFGJOJHNIUYBC-UHFFFAOYSA-N -1 3 348.362 2.760 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC(C)(C)c1cccnc1 ZINC000416626331 477241549 /nfs/dbraw/zinc/24/15/49/477241549.db2.gz CUQZSLOAEPTAFA-UHFFFAOYSA-N -1 3 349.412 2.554 20 5 EFBDHM COC(=O)c1cc([N-]C(=O)c2cc(C)sn2)c(C)c([N+](=O)[O-])c1 ZINC000435969943 477401932 /nfs/dbraw/zinc/40/19/32/477401932.db2.gz UZRPLXPCCNYWBS-UHFFFAOYSA-N -1 3 335.341 2.707 20 5 EFBDHM COCCn1cc([N-]c2ncc([N+](=O)[O-])cc2C(F)(F)F)cn1 ZINC000413070566 477499803 /nfs/dbraw/zinc/49/98/03/477499803.db2.gz LWTMOEONJXWDJK-UHFFFAOYSA-N -1 3 331.254 2.595 20 5 EFBDHM O=C([N-]c1n[nH]c(-c2ccncc2)n1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000367800587 477695786 /nfs/dbraw/zinc/69/57/86/477695786.db2.gz UTQMQNXWGSTLST-UHFFFAOYSA-N -1 3 344.718 2.681 20 5 EFBDHM O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])NCc1ccc(F)c(F)c1 ZINC000426813413 477748086 /nfs/dbraw/zinc/74/80/86/477748086.db2.gz XAWXMDJOAXLVDW-AWEZNQCLSA-N -1 3 336.294 2.659 20 5 EFBDHM CC[C@@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000420711386 477768938 /nfs/dbraw/zinc/76/89/38/477768938.db2.gz YAKZEOIUUQHSOK-MRVPVSSYSA-N -1 3 340.323 2.938 20 5 EFBDHM COC(=O)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2NC(C)C)[n-]1 ZINC000456173740 477806983 /nfs/dbraw/zinc/80/69/83/477806983.db2.gz XFUVPBSSBWALRH-UHFFFAOYSA-N -1 3 346.343 2.782 20 5 EFBDHM CNc1ccc(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)cc1[N+](=O)[O-] ZINC000532445871 477929593 /nfs/dbraw/zinc/92/95/93/477929593.db2.gz ZNLXLCSRAPIDPG-UHFFFAOYSA-N -1 3 342.315 2.575 20 5 EFBDHM CNc1ccc(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)cc1[N+](=O)[O-] ZINC000532445871 477929599 /nfs/dbraw/zinc/92/95/99/477929599.db2.gz ZNLXLCSRAPIDPG-UHFFFAOYSA-N -1 3 342.315 2.575 20 5 EFBDHM CNc1ccc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc1[N+](=O)[O-] ZINC000532445871 477929607 /nfs/dbraw/zinc/92/96/07/477929607.db2.gz ZNLXLCSRAPIDPG-UHFFFAOYSA-N -1 3 342.315 2.575 20 5 EFBDHM CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000558891572 477939965 /nfs/dbraw/zinc/93/99/65/477939965.db2.gz JOTVAAZVZYBPMO-UHFFFAOYSA-N -1 3 347.346 2.824 20 5 EFBDHM CCc1cc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)ccc1[O-] ZINC000558925130 477944282 /nfs/dbraw/zinc/94/42/82/477944282.db2.gz OYIYEJBMZMQXBO-UHFFFAOYSA-N -1 3 330.340 2.672 20 5 EFBDHM COCCc1nc2cc([N-]C(=O)c3ccc([N+](=O)[O-])o3)ccc2o1 ZINC000439990875 478057782 /nfs/dbraw/zinc/05/77/82/478057782.db2.gz QPGIRDZXKBXQTO-UHFFFAOYSA-N -1 3 331.284 2.770 20 5 EFBDHM Cc1csc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000451799102 478208235 /nfs/dbraw/zinc/20/82/35/478208235.db2.gz FHEKEAHSNZSHEI-UHFFFAOYSA-N -1 3 332.428 2.813 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]CCCc2ncccc2C)c([N+](=O)[O-])c1 ZINC000451813921 478213479 /nfs/dbraw/zinc/21/34/79/478213479.db2.gz WQELGNKKQXBKOJ-UHFFFAOYSA-N -1 3 349.412 2.518 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCCC2(F)F)cc1C ZINC000451827437 478218840 /nfs/dbraw/zinc/21/88/40/478218840.db2.gz UKDOHMBVXOAION-NSHDSACASA-N -1 3 348.371 2.925 20 5 EFBDHM CC(C)(C)OC(=O)Nc1ccc(OC(=O)c2cc([N+](=O)[O-])[n-]n2)cc1 ZINC000495616800 478246429 /nfs/dbraw/zinc/24/64/29/478246429.db2.gz GLNOXJJWGYRZNX-UHFFFAOYSA-N -1 3 348.315 2.884 20 5 EFBDHM CC(C)(C)OC(=O)Nc1ccc(OC(=O)c2cc([N+](=O)[O-])n[n-]2)cc1 ZINC000495616800 478246433 /nfs/dbraw/zinc/24/64/33/478246433.db2.gz GLNOXJJWGYRZNX-UHFFFAOYSA-N -1 3 348.315 2.884 20 5 EFBDHM Cc1cccc(CC[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000520042407 478275005 /nfs/dbraw/zinc/27/50/05/478275005.db2.gz FNJXNQKDCBCNLI-UHFFFAOYSA-N -1 3 334.397 2.733 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCC[C@H](F)C2)c1C ZINC000579349006 478276405 /nfs/dbraw/zinc/27/64/05/478276405.db2.gz VLSWYSCQDHNBLC-NWDGAFQWSA-N -1 3 330.381 2.771 20 5 EFBDHM O=C([O-])[C@@H]1c2ccccc2CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000579365101 478282722 /nfs/dbraw/zinc/28/27/22/478282722.db2.gz MNSQNMKUNWBWQD-KRWDZBQOSA-N -1 3 342.351 2.658 20 5 EFBDHM Cc1cccc(O)c1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000538497427 478360088 /nfs/dbraw/zinc/36/00/88/478360088.db2.gz UDSUDZHROANTTJ-UHFFFAOYSA-N -1 3 336.369 2.593 20 5 EFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@]1(C)CCCC[C@@H]1C ZINC000591329443 478524435 /nfs/dbraw/zinc/52/44/35/478524435.db2.gz IYBXTPQHDXZROX-XHDPSFHLSA-N -1 3 342.417 2.851 20 5 EFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@]1(C)CCCC[C@H]1C ZINC000591329441 478525382 /nfs/dbraw/zinc/52/53/82/478525382.db2.gz IYBXTPQHDXZROX-IAQYHMDHSA-N -1 3 342.417 2.851 20 5 EFBDHM CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594750930 478530841 /nfs/dbraw/zinc/53/08/41/478530841.db2.gz QSZHMTVKAIOOQZ-WDEREUQCSA-N -1 3 337.401 2.856 20 5 EFBDHM CC(C)[C@]1(C)C[C@H]1[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594783527 478539859 /nfs/dbraw/zinc/53/98/59/478539859.db2.gz KFQSTAFTNLOPOS-ZBFHGGJFSA-N -1 3 349.412 2.856 20 5 EFBDHM CC1([N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])CC=CC1 ZINC000594793972 478543426 /nfs/dbraw/zinc/54/34/26/478543426.db2.gz GPBTVTSGLHNHRO-UHFFFAOYSA-N -1 3 333.369 2.530 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H](F)C2)c(Cl)c1 ZINC000592062469 478760404 /nfs/dbraw/zinc/76/04/04/478760404.db2.gz FPOPIOGQIKOECG-BDAKNGLRSA-N -1 3 336.772 2.807 20 5 EFBDHM Cc1cc(=O)[n-]c(C(C)(C)NCc2c(F)cc([N+](=O)[O-])cc2F)n1 ZINC000595525260 478836136 /nfs/dbraw/zinc/83/61/36/478836136.db2.gz DAYZTXPCZOLIRI-UHFFFAOYSA-N -1 3 338.314 2.702 20 5 EFBDHM O=C([O-])[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1c1ccccc1 ZINC000572967728 478963821 /nfs/dbraw/zinc/96/38/21/478963821.db2.gz SDOSIVWICWAGMF-HZPDHXFCSA-N -1 3 326.352 2.895 20 5 EFBDHM COc1ccccc1CO[N-]C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000493593954 479072846 /nfs/dbraw/zinc/07/28/46/479072846.db2.gz QVVPQYIJNONAKN-MDZDMXLPSA-N -1 3 328.324 2.865 20 5 EFBDHM CCN(CC)[C@H](CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccco1 ZINC000592969768 479109902 /nfs/dbraw/zinc/10/99/02/479109902.db2.gz AZPNBZPYIYZYFN-CYBMUJFWSA-N -1 3 348.359 2.776 20 5 EFBDHM CCN(CC)[C@@H](CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccco1 ZINC000592969769 479110086 /nfs/dbraw/zinc/11/00/86/479110086.db2.gz AZPNBZPYIYZYFN-ZDUSSCGKSA-N -1 3 348.359 2.776 20 5 EFBDHM CN(C)[C@@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000592969387 479110893 /nfs/dbraw/zinc/11/08/93/479110893.db2.gz FXKHEYANOPMDJF-ZDUSSCGKSA-N -1 3 348.334 2.542 20 5 EFBDHM C[N-]S(=O)(=O)c1ccc(CNc2cc(C)sc2[N+](=O)[O-])s1 ZINC000596064057 479117117 /nfs/dbraw/zinc/11/71/17/479117117.db2.gz AWKKKGWCBMZWLG-UHFFFAOYSA-N -1 3 347.443 2.546 20 5 EFBDHM Cc1cc(C)c(NC(=O)CN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])c(C)c1 ZINC000596073402 479121957 /nfs/dbraw/zinc/12/19/57/479121957.db2.gz NSDGTOBKABABMG-UHFFFAOYSA-N -1 3 344.371 2.696 20 5 EFBDHM O=C([O-])[C@@H](CNCc1cc([N+](=O)[O-])ccc1OC(F)F)CC1CC1 ZINC000593010697 479123284 /nfs/dbraw/zinc/12/32/84/479123284.db2.gz LDIGFFJYNZGCKW-LLVKDONJSA-N -1 3 344.314 2.787 20 5 EFBDHM CCN(CC)C(=O)c1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000596077530 479124328 /nfs/dbraw/zinc/12/43/28/479124328.db2.gz RVBSCPNVFBRLOF-UHFFFAOYSA-N -1 3 344.371 2.790 20 5 EFBDHM O=c1[n-]ccc(Nc2ccc(OC[C@@H]3CCCO3)cc2)c1[N+](=O)[O-] ZINC000596080537 479125899 /nfs/dbraw/zinc/12/58/99/479125899.db2.gz IIEWKNGKSONOFL-ZDUSSCGKSA-N -1 3 331.328 2.997 20 5 EFBDHM O=c1[n-]ccc(N2CCC(c3c[nH]c4ncccc34)CC2)c1[N+](=O)[O-] ZINC000596086946 479130316 /nfs/dbraw/zinc/13/03/16/479130316.db2.gz DQASOPWGZRPGOX-UHFFFAOYSA-N -1 3 339.355 2.956 20 5 EFBDHM O=c1[n-]ccc(N2CCO[C@@H](c3ccccc3Cl)C2)c1[N+](=O)[O-] ZINC000596107743 479142083 /nfs/dbraw/zinc/14/20/83/479142083.db2.gz NTBYXXVNUVTOPU-CYBMUJFWSA-N -1 3 335.747 2.927 20 5 EFBDHM Cc1cccc([O-])c1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000599070419 479148069 /nfs/dbraw/zinc/14/80/69/479148069.db2.gz HCERPBWYFYWVPY-UHFFFAOYSA-N -1 3 341.367 2.571 20 5 EFBDHM O=c1[n-]ccc(NCCc2nc(C(F)(F)F)cs2)c1[N+](=O)[O-] ZINC000596145101 479162729 /nfs/dbraw/zinc/16/27/29/479162729.db2.gz QWNFEJFKPXWPMG-UHFFFAOYSA-N -1 3 334.279 2.825 20 5 EFBDHM CC(C)(CO)[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC000596169369 479177420 /nfs/dbraw/zinc/17/74/20/479177420.db2.gz IFANLSXIQQNDMI-CYBMUJFWSA-N -1 3 331.372 2.910 20 5 EFBDHM COc1ccc(OC)c(CCCNc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC000596179178 479183140 /nfs/dbraw/zinc/18/31/40/479183140.db2.gz OBIXJMMSJPCZOZ-UHFFFAOYSA-N -1 3 333.344 2.757 20 5 EFBDHM O=c1[n-]ccc(N2CCO[C@@H](CCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596200039 479194512 /nfs/dbraw/zinc/19/45/12/479194512.db2.gz XQXJSCIOEWXBMD-AWEZNQCLSA-N -1 3 329.356 2.533 20 5 EFBDHM CCO[C@@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])[C@@H]1Oc1ccccc1 ZINC000596201360 479196003 /nfs/dbraw/zinc/19/60/03/479196003.db2.gz ZWIMFCUCOZVBRA-LZWOXQAQSA-N -1 3 345.355 2.732 20 5 EFBDHM C[C@@H](O)[C@](C)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])Cc1ccccc1 ZINC000596205634 479198158 /nfs/dbraw/zinc/19/81/58/479198158.db2.gz BZJJGMFEONSKKF-PXAZEXFGSA-N -1 3 331.372 2.737 20 5 EFBDHM O=c1[n-]ccc(NC[C@]2(O)CCC[C@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000596220874 479207708 /nfs/dbraw/zinc/20/77/08/479207708.db2.gz DZWAJMKKQXZMLK-UFBFGSQYSA-N -1 3 335.282 2.591 20 5 EFBDHM CC1(C)CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000596222829 479208597 /nfs/dbraw/zinc/20/85/97/479208597.db2.gz MNSQSFDRGJYZJD-PEBVRCNWSA-N -1 3 333.388 2.869 20 5 EFBDHM COCCCOc1ccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc1OC ZINC000596229751 479212867 /nfs/dbraw/zinc/21/28/67/479212867.db2.gz FNEDZIZESUEQJV-UHFFFAOYSA-N -1 3 349.343 2.863 20 5 EFBDHM CC[C@@]1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])OCCc2ccccc21 ZINC000596238993 479217892 /nfs/dbraw/zinc/21/78/92/479217892.db2.gz MUIOTDFRSGJHIB-KRWDZBQOSA-N -1 3 329.356 2.986 20 5 EFBDHM Cc1sc(C(N)=O)cc1[N-]C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000610895683 479226481 /nfs/dbraw/zinc/22/64/81/479226481.db2.gz FCXWAAUATRIVTP-UHFFFAOYSA-N -1 3 339.760 2.969 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-]C(C(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000610898637 479227895 /nfs/dbraw/zinc/22/78/95/479227895.db2.gz OPSKJBBXMZWPKK-UHFFFAOYSA-N -1 3 330.406 2.562 20 5 EFBDHM Cc1nc([N-]C(=O)c2n[nH]cc2[N+](=O)[O-])sc1Cc1ccccc1 ZINC000611201068 479308850 /nfs/dbraw/zinc/30/88/50/479308850.db2.gz KYYZKKHZCWSVMQ-UHFFFAOYSA-N -1 3 343.368 2.926 20 5 EFBDHM COc1ccc(CN[C@@H](CC(=O)[O-])c2cccs2)cc1[N+](=O)[O-] ZINC000585731849 479317714 /nfs/dbraw/zinc/31/77/14/479317714.db2.gz RSUJWYULHMPUHQ-NSHDSACASA-N -1 3 336.369 2.971 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C12CC(c3ccccc3)(C1)C2 ZINC000603417354 479379466 /nfs/dbraw/zinc/37/94/66/479379466.db2.gz HBTBBABZPMFFSC-UHFFFAOYSA-N -1 3 344.392 2.747 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1C[C@H]1CC(C)(C)C ZINC000593628421 479408437 /nfs/dbraw/zinc/40/84/37/479408437.db2.gz ZYMSZDHFRAODMI-CMPLNLGQSA-N -1 3 342.417 2.706 20 5 EFBDHM CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000603631494 479415298 /nfs/dbraw/zinc/41/52/98/479415298.db2.gz HELPLEOMXOVKEE-WCQYABFASA-N -1 3 342.417 2.851 20 5 EFBDHM O=C([O-])Cc1ccc(NC[C@@H]2CCCCN2C2CC2)c([N+](=O)[O-])c1 ZINC000575185024 479417180 /nfs/dbraw/zinc/41/71/80/479417180.db2.gz KNEGLXGECDNZIO-AWEZNQCLSA-N -1 3 333.388 2.651 20 5 EFBDHM Cc1cc(OCCOc2ccc([N+](=O)[O-])cc2)cc2occ([O-])c21 ZINC000603677745 479419713 /nfs/dbraw/zinc/41/97/13/479419713.db2.gz FSXBBBXAWCCIDC-UHFFFAOYSA-N -1 3 329.308 2.936 20 5 EFBDHM Cc1[nH+][n-]c2nnc([N-]C(=O)c3c(Cl)cccc3[N+](=O)[O-])c-2c1C ZINC000588838677 479446957 /nfs/dbraw/zinc/44/69/57/479446957.db2.gz YTPYYJKEQFSIEN-UHFFFAOYSA-N -1 3 346.734 2.784 20 5 EFBDHM O=C([O-])c1cccc2c1CN(CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000593752452 479447419 /nfs/dbraw/zinc/44/74/19/479447419.db2.gz LSHUZWJIRAPBQP-UHFFFAOYSA-N -1 3 342.351 2.730 20 5 EFBDHM C[C@]1(C(=O)[O-])CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000593754298 479448500 /nfs/dbraw/zinc/44/85/00/479448500.db2.gz VGBAWYRBJWXKKG-INIZCTEOSA-N -1 3 331.328 2.546 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1(C(F)F)CCCC1 ZINC000588906234 479455057 /nfs/dbraw/zinc/45/50/57/479455057.db2.gz PQDBQPBUUUNIKB-UHFFFAOYSA-N -1 3 334.344 2.759 20 5 EFBDHM Cc1ccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000604030500 479464851 /nfs/dbraw/zinc/46/48/51/479464851.db2.gz GZCBRNSDDDCMEU-UHFFFAOYSA-N -1 3 344.776 2.671 20 5 EFBDHM COc1ccc([N+](=O)[O-])cc1CN(C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000578995276 479644939 /nfs/dbraw/zinc/64/49/39/479644939.db2.gz HDQDWWCHTACAQJ-INIZCTEOSA-N -1 3 344.367 2.731 20 5 EFBDHM Cc1c(CC(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)cccc1[N+](=O)[O-] ZINC000590557738 479659605 /nfs/dbraw/zinc/65/96/05/479659605.db2.gz HUTAALCQQHDWIQ-UHFFFAOYSA-N -1 3 326.312 2.666 20 5 EFBDHM Cc1cc(S(=O)(=O)[N-]CCc2cccs2)c(F)cc1[N+](=O)[O-] ZINC000590589962 479664078 /nfs/dbraw/zinc/66/40/78/479664078.db2.gz QNOBOHGPTWSAIK-UHFFFAOYSA-N -1 3 344.389 2.625 20 5 EFBDHM O=C([N-]c1ccc(-c2nc[nH]n2)cc1F)c1ccc(F)cc1[N+](=O)[O-] ZINC000619252918 479733202 /nfs/dbraw/zinc/73/32/02/479733202.db2.gz YZWQMVYDRNYPGL-UHFFFAOYSA-N -1 3 345.265 2.910 20 5 EFBDHM CCC[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000612786204 479760960 /nfs/dbraw/zinc/76/09/60/479760960.db2.gz WNZNMUJLTQFMET-HNNXBMFYSA-N -1 3 335.385 2.810 20 5 EFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1c(F)cccc1F ZINC000619466238 479802477 /nfs/dbraw/zinc/80/24/77/479802477.db2.gz ANNZJIDPICOENB-UHFFFAOYSA-N -1 3 344.295 2.682 20 5 EFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C1(c2ccccc2)CC1 ZINC000619481197 479807647 /nfs/dbraw/zinc/80/76/47/479807647.db2.gz PJTIQQINRFNZTG-UHFFFAOYSA-N -1 3 348.380 2.571 20 5 EFBDHM Cc1[n-][nH]c(=O)c1CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000609620330 480188249 /nfs/dbraw/zinc/18/82/49/480188249.db2.gz UTOPFKUVPCJBOY-SECBINFHSA-N -1 3 330.266 2.538 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@H]1CCc2ccccc2C1 ZINC000609767444 480203626 /nfs/dbraw/zinc/20/36/26/480203626.db2.gz GRXQLGRKLZAMQB-ZDUSSCGKSA-N -1 3 346.408 2.678 20 5 EFBDHM C[C@]1(c2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000610265623 480265983 /nfs/dbraw/zinc/26/59/83/480265983.db2.gz WWIIAAJTVCRSNW-JKSUJKDBSA-N -1 3 332.381 2.603 20 5 EFBDHM COC(=O)c1cc([N-]C(=O)c2cc(F)ccc2F)cc([N+](=O)[O-])c1 ZINC000118723655 521887738 /nfs/dbraw/zinc/88/77/38/521887738.db2.gz GXCCPCCNMAKGCG-UHFFFAOYSA-N -1 3 336.250 2.912 20 5 EFBDHM COC(=O)c1cc([N-]C(=O)c2c(F)cccc2F)cc([N+](=O)[O-])c1 ZINC000118723340 521889632 /nfs/dbraw/zinc/88/96/32/521889632.db2.gz GOVJFRDDZXVRMU-UHFFFAOYSA-N -1 3 336.250 2.912 20 5 EFBDHM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(F)c1F ZINC000119052983 525510886 /nfs/dbraw/zinc/51/08/86/525510886.db2.gz GOAQKXWQDHLHKJ-VIFPVBQESA-N -1 3 342.323 2.913 20 5 EFBDHM CSc1ccc(C(=O)[N-]c2nc3ccc(F)cn3n2)cc1[N+](=O)[O-] ZINC000129788653 525973358 /nfs/dbraw/zinc/97/33/58/525973358.db2.gz XHLBSEUNGMQBJY-UHFFFAOYSA-N -1 3 347.331 2.751 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-]CCc2ccccc2F)cc1[N+](=O)[O-] ZINC000122845723 526886662 /nfs/dbraw/zinc/88/66/62/526886662.db2.gz GZBPBASWMVVOPH-UHFFFAOYSA-N -1 3 344.389 2.625 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1ccc2ncccc2c1 ZINC000193029133 527405720 /nfs/dbraw/zinc/40/57/20/527405720.db2.gz ZZLLLNZXCPOCQF-UHFFFAOYSA-N -1 3 343.364 2.622 20 5 EFBDHM CCOc1ccc(C(=O)N(C)C)cc1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC000178143222 528387523 /nfs/dbraw/zinc/38/75/23/528387523.db2.gz IKXMOVYGDZFUND-UHFFFAOYSA-N -1 3 347.327 2.541 20 5 EFBDHM CCSCC[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000174072085 529195468 /nfs/dbraw/zinc/19/54/68/529195468.db2.gz FMKUXMLMWOZHSK-VIFPVBQESA-N -1 3 336.410 2.544 20 5 EFBDHM CC(C)n1ncc2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc21 ZINC000193492272 535142761 /nfs/dbraw/zinc/14/27/61/535142761.db2.gz FPKMSFYQVQGHOQ-UHFFFAOYSA-N -1 3 341.327 2.878 20 5 EFBDHM CC[C@@H](CCNCc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)[O-] ZINC000417674466 535739280 /nfs/dbraw/zinc/73/92/80/535739280.db2.gz ZIBVUIXGHSIYTD-VIFPVBQESA-N -1 3 332.303 2.787 20 5 EFBDHM COc1ccc(COC(=O)c2ccc([O-])c(OC)c2)cc1[N+](=O)[O-] ZINC000757095480 575821416 /nfs/dbraw/zinc/82/14/16/575821416.db2.gz KKNUZRBONCFONT-UHFFFAOYSA-N -1 3 333.296 2.675 20 5 EFBDHM COc1ccc(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c([O-])c1 ZINC000757425420 575839209 /nfs/dbraw/zinc/83/92/09/575839209.db2.gz KORFTFGLAGSKTP-UHFFFAOYSA-N -1 3 336.731 2.892 20 5 EFBDHM Cc1cc([N-]C(=O)[C@H](C)OC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)on1 ZINC000763404415 576375997 /nfs/dbraw/zinc/37/59/97/576375997.db2.gz RFTBKGXWFGFWQI-MNOVXSKESA-N -1 3 347.327 2.565 20 5 EFBDHM COCCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1cc(C)on1 ZINC000764632835 576482502 /nfs/dbraw/zinc/48/25/02/576482502.db2.gz CLYRWOYYIMLPAM-UHFFFAOYSA-N -1 3 337.357 2.882 20 5 EFBDHM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000766369410 577140846 /nfs/dbraw/zinc/14/08/46/577140846.db2.gz VGNUXUPWMRUMHZ-UHFFFAOYSA-N -1 3 347.283 2.773 20 5 EFBDHM O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])[N-]OCC(F)(F)F ZINC000766766311 577181277 /nfs/dbraw/zinc/18/12/77/577181277.db2.gz DHEHGVOSIXSUKT-UHFFFAOYSA-N -1 3 342.657 2.627 20 5 EFBDHM C[C@@H](C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000768793937 577303380 /nfs/dbraw/zinc/30/33/80/577303380.db2.gz NLSRZNSCMQTJHM-JTQLQIEISA-N -1 3 326.399 2.738 20 5 EFBDHM CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768836117 577307645 /nfs/dbraw/zinc/30/76/45/577307645.db2.gz RQGDBFIPELXEPP-LBPRGKRZSA-N -1 3 340.426 2.956 20 5 EFBDHM CC(C)C[C@H]1C[C@H]([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)CCO1 ZINC000768886441 577314158 /nfs/dbraw/zinc/31/41/58/577314158.db2.gz DLAHJFLNOJXNFL-MNOVXSKESA-N -1 3 348.446 2.528 20 5 EFBDHM CC(C)C[C@@H]1C[C@H]([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)CCO1 ZINC000768886439 577314232 /nfs/dbraw/zinc/31/42/32/577314232.db2.gz DLAHJFLNOJXNFL-GHMZBOCLSA-N -1 3 348.446 2.528 20 5 EFBDHM Cc1ccc(C(C)(C)[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cn1 ZINC000768891110 577314419 /nfs/dbraw/zinc/31/44/19/577314419.db2.gz LWRJGLUHIUYLCC-UHFFFAOYSA-N -1 3 341.414 2.573 20 5 EFBDHM O=C(Nc1nnc(C2CCCCC2)s1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770146648 577404349 /nfs/dbraw/zinc/40/43/49/577404349.db2.gz QNNOXVHNCZQQIZ-UHFFFAOYSA-N -1 3 349.372 2.847 20 5 EFBDHM Cc1nc(COC(=O)c2[n-]nc3ccc([N+](=O)[O-])cc32)c(C)s1 ZINC000770179166 577405951 /nfs/dbraw/zinc/40/59/51/577405951.db2.gz MJLOTYOYBTUWAB-UHFFFAOYSA-N -1 3 332.341 2.901 20 5 EFBDHM Cc1nc(COC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c(C)s1 ZINC000770179166 577405953 /nfs/dbraw/zinc/40/59/53/577405953.db2.gz MJLOTYOYBTUWAB-UHFFFAOYSA-N -1 3 332.341 2.901 20 5 EFBDHM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1ccc([N+](=O)[O-])cc1F ZINC000726917387 577416722 /nfs/dbraw/zinc/41/67/22/577416722.db2.gz WBQQEJLZWHNZQS-UHFFFAOYSA-N -1 3 335.247 2.903 20 5 EFBDHM CCc1sc([N-]C(=O)c2ccc([N+](=O)[O-])s2)c(C(N)=O)c1C ZINC000770713971 581129061 /nfs/dbraw/zinc/12/90/61/581129061.db2.gz RCXZWWBKSKRSIK-UHFFFAOYSA-N -1 3 339.398 2.940 20 5 EFBDHM C[C@H](OC(=O)c1c([O-])cccc1F)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000772576010 581342404 /nfs/dbraw/zinc/34/24/04/581342404.db2.gz AWKCTAIGULZGOS-VIFPVBQESA-N -1 3 348.286 2.624 20 5 EFBDHM C[C@H](OC(=O)c1c([O-])cccc1F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000772592609 581344659 /nfs/dbraw/zinc/34/46/59/581344659.db2.gz OAMREFNKDPDBAA-VIFPVBQESA-N -1 3 348.286 2.624 20 5 EFBDHM O=[N+]([O-])c1ccc(NCc2cc(-c3nnn[n-]3)ccc2F)c(F)c1 ZINC000823639910 599070883 /nfs/dbraw/zinc/07/08/83/599070883.db2.gz LQJPFDFJPCSNGW-UHFFFAOYSA-N -1 3 332.270 2.665 20 5 EFBDHM O=[N+]([O-])c1ccc(NCc2cc(-c3nn[n-]n3)ccc2F)c(F)c1 ZINC000823639910 599070886 /nfs/dbraw/zinc/07/08/86/599070886.db2.gz LQJPFDFJPCSNGW-UHFFFAOYSA-N -1 3 332.270 2.665 20 5 EFBDHM COc1ccc([N+](=O)[O-])c(NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000821846286 599072372 /nfs/dbraw/zinc/07/23/72/599072372.db2.gz PIDLHIKDOCTGQJ-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM COc1ccc([N+](=O)[O-])c(NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000821846286 599072374 /nfs/dbraw/zinc/07/23/74/599072374.db2.gz PIDLHIKDOCTGQJ-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM O=C([O-])C[C@H]1CCCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000819385210 597048191 /nfs/dbraw/zinc/04/81/91/597048191.db2.gz GDVFYZFKSCQOLQ-CYBMUJFWSA-N -1 3 344.371 2.603 20 5 EFBDHM CN(CCC1CCCCC1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736793224 598248041 /nfs/dbraw/zinc/24/80/41/598248041.db2.gz USKMIVOFGBDLHY-UHFFFAOYSA-N -1 3 331.380 2.577 20 5 EFBDHM CN(CCC1CCCCC1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736793224 598248044 /nfs/dbraw/zinc/24/80/44/598248044.db2.gz USKMIVOFGBDLHY-UHFFFAOYSA-N -1 3 331.380 2.577 20 5 EFBDHM O=[N+]([O-])c1cnc(N2CCCC3(CCCCC3)C2)c(-c2nnn[n-]2)c1 ZINC000738370249 598682894 /nfs/dbraw/zinc/68/28/94/598682894.db2.gz SGZDJYUQWWZDFI-UHFFFAOYSA-N -1 3 343.391 2.721 20 5 EFBDHM O=[N+]([O-])c1cnc(N2CCCC3(CCCCC3)C2)c(-c2nn[n-]n2)c1 ZINC000738370249 598682895 /nfs/dbraw/zinc/68/28/95/598682895.db2.gz SGZDJYUQWWZDFI-UHFFFAOYSA-N -1 3 343.391 2.721 20 5 EFBDHM O=[N+]([O-])c1cccc2c1ccn2Cc1ccc(-c2nnn[n-]2)cc1F ZINC000738370254 599364652 /nfs/dbraw/zinc/36/46/52/599364652.db2.gz SWCQYGQFBOPGPI-UHFFFAOYSA-N -1 3 338.302 2.917 20 5 EFBDHM O=[N+]([O-])c1cccc2c1ccn2Cc1ccc(-c2nn[n-]n2)cc1F ZINC000738370254 599364654 /nfs/dbraw/zinc/36/46/54/599364654.db2.gz SWCQYGQFBOPGPI-UHFFFAOYSA-N -1 3 338.302 2.917 20 5 EFBDHM CN(Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1-c1nnn[n-]1 ZINC000821615806 599471728 /nfs/dbraw/zinc/47/17/28/599471728.db2.gz ODNPVGLGPILTAK-UHFFFAOYSA-N -1 3 328.307 2.550 20 5 EFBDHM CN(Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1-c1nn[n-]n1 ZINC000821615806 599471730 /nfs/dbraw/zinc/47/17/30/599471730.db2.gz ODNPVGLGPILTAK-UHFFFAOYSA-N -1 3 328.307 2.550 20 5 EFBDHM C[C@@H]1C[C@H](Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CN1C1CC1 ZINC000828184090 601562098 /nfs/dbraw/zinc/56/20/98/601562098.db2.gz NSCZJSUAHCVKDD-FZKQWKSJSA-N -1 3 331.372 2.730 20 5 EFBDHM CCC(CC)(CC(=O)[O-])NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000828803854 601634631 /nfs/dbraw/zinc/63/46/31/601634631.db2.gz CJNNYOQWFHSWIZ-UHFFFAOYSA-N -1 3 348.359 2.768 20 5 EFBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1ccccc1 ZINC000826451294 607525266 /nfs/dbraw/zinc/52/52/66/607525266.db2.gz ZMNFQKNBDQOCTA-UHFFFAOYSA-N -1 3 344.718 2.681 20 5 EFBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1ccccc1 ZINC000826451294 607525267 /nfs/dbraw/zinc/52/52/67/607525267.db2.gz ZMNFQKNBDQOCTA-UHFFFAOYSA-N -1 3 344.718 2.681 20 5 EFBDHM CCOc1ccc([C@H](C)N[C@@H]2CCCN(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000833664199 604512077 /nfs/dbraw/zinc/51/20/77/604512077.db2.gz RBTFPBIDBCIPLN-WCQYABFASA-N -1 3 337.376 2.787 20 5 EFBDHM CCOc1ccc([C@@H](C)N[C@H]2CCCN(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000833664200 604512144 /nfs/dbraw/zinc/51/21/44/604512144.db2.gz RBTFPBIDBCIPLN-YPMHNXCESA-N -1 3 337.376 2.787 20 5 EFBDHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000833419521 604862944 /nfs/dbraw/zinc/86/29/44/604862944.db2.gz MVIFQHGKMFVILF-ZDUSSCGKSA-N -1 3 346.387 2.725 20 5 EFBDHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000833419476 604866268 /nfs/dbraw/zinc/86/62/68/604866268.db2.gz LFOIWFUCGOSICS-ZDUSSCGKSA-N -1 3 346.387 2.725 20 5 EFBDHM CC1=C(C(=O)[O-])C[C@@H](CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)O1 ZINC000833585148 605379723 /nfs/dbraw/zinc/37/97/23/605379723.db2.gz UYGNJCGACUXYBD-HNNXBMFYSA-N -1 3 332.356 2.707 20 5 EFBDHM CCSCC[C@H](C)N(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821454296 606040396 /nfs/dbraw/zinc/04/03/96/606040396.db2.gz FFKNCKMKCSABSA-JTQLQIEISA-N -1 3 336.421 2.743 20 5 EFBDHM CCSCC[C@H](C)N(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821454296 606040400 /nfs/dbraw/zinc/04/04/00/606040400.db2.gz FFKNCKMKCSABSA-JTQLQIEISA-N -1 3 336.421 2.743 20 5 EFBDHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000820507546 606462554 /nfs/dbraw/zinc/46/25/54/606462554.db2.gz HZLFUZAVNLHXDB-MRVPVSSYSA-N -1 3 345.340 2.754 20 5 EFBDHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000820507546 606462557 /nfs/dbraw/zinc/46/25/57/606462557.db2.gz HZLFUZAVNLHXDB-MRVPVSSYSA-N -1 3 345.340 2.754 20 5 EFBDHM CC[C@@H](Nc1ncccc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000820926115 606479106 /nfs/dbraw/zinc/47/91/06/606479106.db2.gz OUBSQLABXPGDIR-CYBMUJFWSA-N -1 3 325.332 2.733 20 5 EFBDHM CC[C@@H](Nc1ncccc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC000820926115 606479109 /nfs/dbraw/zinc/47/91/09/606479109.db2.gz OUBSQLABXPGDIR-CYBMUJFWSA-N -1 3 325.332 2.733 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCS[C@H]2CCCC[C@H]21 ZINC000823629831 606594435 /nfs/dbraw/zinc/59/44/35/606594435.db2.gz IZHFUCYSDNHKKM-OCCSQVGLSA-N -1 3 346.416 2.639 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCS[C@H]2CCCC[C@H]21 ZINC000823629831 606594437 /nfs/dbraw/zinc/59/44/37/606594437.db2.gz IZHFUCYSDNHKKM-OCCSQVGLSA-N -1 3 346.416 2.639 20 5 EFBDHM Cc1cc(F)ccc1CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000822206206 606725206 /nfs/dbraw/zinc/72/52/06/606725206.db2.gz XYXVXABZFXAXBY-UHFFFAOYSA-N -1 3 342.334 2.877 20 5 EFBDHM Cc1cc(F)ccc1CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000822206206 606725207 /nfs/dbraw/zinc/72/52/07/606725207.db2.gz XYXVXABZFXAXBY-UHFFFAOYSA-N -1 3 342.334 2.877 20 5 EFBDHM CC1(C)CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c2ccccc21 ZINC000820606790 606876749 /nfs/dbraw/zinc/87/67/49/606876749.db2.gz DKQGFDYIDMXMES-UHFFFAOYSA-N -1 3 337.343 2.599 20 5 EFBDHM CC1(C)CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c2ccccc21 ZINC000820606790 606876751 /nfs/dbraw/zinc/87/67/51/606876751.db2.gz DKQGFDYIDMXMES-UHFFFAOYSA-N -1 3 337.343 2.599 20 5 EFBDHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc([N+](=O)[O-])cc1 ZINC000825782324 607975242 /nfs/dbraw/zinc/97/52/42/607975242.db2.gz CMIZAUDRLRJPAF-UHFFFAOYSA-N -1 3 335.327 2.812 20 5 EFBDHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc([N+](=O)[O-])cc1 ZINC000825782324 607975243 /nfs/dbraw/zinc/97/52/43/607975243.db2.gz CMIZAUDRLRJPAF-UHFFFAOYSA-N -1 3 335.327 2.812 20 5 EFBDHM CC1=C(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)CCC1 ZINC000824852018 608160895 /nfs/dbraw/zinc/16/08/95/608160895.db2.gz HMJHVGIKOHVSQI-UHFFFAOYSA-N -1 3 348.750 2.867 20 5 EFBDHM CC1=C(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)CCC1 ZINC000824852018 608160896 /nfs/dbraw/zinc/16/08/96/608160896.db2.gz HMJHVGIKOHVSQI-UHFFFAOYSA-N -1 3 348.750 2.867 20 5 EFBDHM CCC(C)(C)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000825038512 608161354 /nfs/dbraw/zinc/16/13/54/608161354.db2.gz DNKVDSKIFRCRTA-UHFFFAOYSA-N -1 3 338.755 2.803 20 5 EFBDHM CCC(C)(C)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000825038512 608161356 /nfs/dbraw/zinc/16/13/56/608161356.db2.gz DNKVDSKIFRCRTA-UHFFFAOYSA-N -1 3 338.755 2.803 20 5 EFBDHM CC(C)C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC000824243228 609170243 /nfs/dbraw/zinc/17/02/43/609170243.db2.gz FGRAJQBTRKFBFX-AAEUAGOBSA-N -1 3 346.391 2.781 20 5 EFBDHM CC(C)C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO1 ZINC000824243228 609170245 /nfs/dbraw/zinc/17/02/45/609170245.db2.gz FGRAJQBTRKFBFX-AAEUAGOBSA-N -1 3 346.391 2.781 20 5 EFBDHM Cc1cc(C)c([N+](=O)[O-])c(Oc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000826263665 609384899 /nfs/dbraw/zinc/38/48/99/609384899.db2.gz LOXMWJOPUDVQHJ-UHFFFAOYSA-N -1 3 330.279 2.718 20 5 EFBDHM Cc1cc(C)c([N+](=O)[O-])c(Oc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000826263665 609384902 /nfs/dbraw/zinc/38/49/02/609384902.db2.gz LOXMWJOPUDVQHJ-UHFFFAOYSA-N -1 3 330.279 2.718 20 5 EFBDHM CCC(=CC(=O)NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-])CC ZINC001107120840 1253912783 /nfs/dbraw/zinc/91/27/83/1253912783.db2.gz HXWPXHBHORKQJJ-AATRIKPKSA-N -1 3 334.376 2.526 20 5 EFBDHM CCC(C)(CC)C(=O)NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107211159 1255327483 /nfs/dbraw/zinc/32/74/83/1255327483.db2.gz SPWQTXXZFAGUOM-VOTSOKGWSA-N -1 3 336.392 2.606 20 5 EFBDHM CCC1(C(=O)NC/C=C/CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC1 ZINC001107328491 1255612286 /nfs/dbraw/zinc/61/22/86/1255612286.db2.gz MOOGWDAINWTDCC-AATRIKPKSA-N -1 3 348.403 2.750 20 5 EFBDHM CCCCC1(C(=O)NC/C=C\CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001107494044 1255974374 /nfs/dbraw/zinc/97/43/74/1255974374.db2.gz UCEKTTIYXQEJHP-PLNGDYQASA-N -1 3 348.403 2.750 20 5 EFBDHM CC(C)CCCC(=O)NC/C=C\CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107534556 1256069438 /nfs/dbraw/zinc/06/94/38/1256069438.db2.gz FTFOMPPCSFFOMS-ARJAWSKDSA-N -1 3 336.392 2.606 20 5 EFBDHM O=C(CCC1CC1)NCCC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001089917631 1257909705 /nfs/dbraw/zinc/90/97/05/1257909705.db2.gz LKLWITDYDBYRGO-UHFFFAOYSA-N -1 3 348.403 2.584 20 5 EFBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cn(Cc2cccs2)nn1 ZINC000074234878 1261899389 /nfs/dbraw/zinc/89/93/89/1261899389.db2.gz FXZRVTBAOXTFBU-UHFFFAOYSA-N -1 3 347.331 2.688 20 5 EFBDHM Cc1c(CN[C@]2(C(=O)[O-])CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000738201165 1268399356 /nfs/dbraw/zinc/39/93/56/1268399356.db2.gz ALRPRSZFLUETHY-GOSISDBHSA-N -1 3 326.352 2.919 20 5 EFBDHM COc1ccc(OC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1OC ZINC000744322620 1270971626 /nfs/dbraw/zinc/97/16/26/1270971626.db2.gz JECHHMZVSHOETC-UHFFFAOYSA-N -1 3 343.295 2.708 20 5 EFBDHM CN(CCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)CCC1CCC1 ZINC001109406560 1274238010 /nfs/dbraw/zinc/23/80/10/1274238010.db2.gz FVLGNVURSSBBJC-UHFFFAOYSA-N -1 3 336.392 2.536 20 5 EFBDHM CCC(CC)CC(=O)N(C)CCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001109510020 1274365739 /nfs/dbraw/zinc/36/57/39/1274365739.db2.gz HKDJAZCBGCATQW-UHFFFAOYSA-N -1 3 338.408 2.782 20 5 EFBDHM CN(CCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C1(C)CCCC1 ZINC001109573974 1274439801 /nfs/dbraw/zinc/43/98/01/1274439801.db2.gz SGCACZKGPYIJHT-UHFFFAOYSA-N -1 3 336.392 2.536 20 5 EFBDHM CN(CCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C1(C2CC2)CCC1 ZINC001109577284 1274442060 /nfs/dbraw/zinc/44/20/60/1274442060.db2.gz BBPYPBSFMIPZRK-UHFFFAOYSA-N -1 3 348.403 2.536 20 5 EFBDHM O=C(COC(=O)c1cc2occc2[n-]1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000786030272 1275279510 /nfs/dbraw/zinc/27/95/10/1275279510.db2.gz NVIVMLBEVZTGRA-UHFFFAOYSA-N -1 3 347.258 2.604 20 5 EFBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc2occc2[n-]1 ZINC000786033086 1275281367 /nfs/dbraw/zinc/28/13/67/1275281367.db2.gz XYUMGDAYNMKQPS-UHFFFAOYSA-N -1 3 343.295 2.773 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1cc2occc2[n-]1 ZINC000786033824 1275281763 /nfs/dbraw/zinc/28/17/63/1275281763.db2.gz NPAQFOLXKNUYGB-UHFFFAOYSA-N -1 3 343.295 2.773 20 5 EFBDHM CN(CC(C)(C)CNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)/C=C\C1CC1 ZINC001113413811 1277797832 /nfs/dbraw/zinc/79/78/32/1277797832.db2.gz SDWRRUAIJGGSJK-SREVYHEPSA-N -1 3 348.403 2.558 20 5 EFBDHM CN(CC(C)(C)CNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C(C)(C)C ZINC001113424899 1277841904 /nfs/dbraw/zinc/84/19/04/1277841904.db2.gz FLZZLUGYSNBYHW-UHFFFAOYSA-N -1 3 338.408 2.638 20 5 EFBDHM CCC1(C(=O)NC[C@H]2C[C@@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)CCC1 ZINC001091393734 1280512710 /nfs/dbraw/zinc/51/27/10/1280512710.db2.gz ZDYRFJITNUKDLX-TXEJJXNPSA-N -1 3 348.403 2.582 20 5 EFBDHM CCCCCC(=O)NC[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001091421859 1280593956 /nfs/dbraw/zinc/59/39/56/1280593956.db2.gz PCASZIMCCCKFSF-HAQNSBGRSA-N -1 3 336.392 2.582 20 5 EFBDHM O=C(CCC1CCC1)NC[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001091435457 1280657784 /nfs/dbraw/zinc/65/77/84/1280657784.db2.gz MHDRQRGFTXOMOM-JOCQHMNTSA-N -1 3 348.403 2.582 20 5 EFBDHM CC(C)C(=O)N(C)CCCCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001091728624 1281595621 /nfs/dbraw/zinc/59/56/21/1281595621.db2.gz NSPKZNOQCVKMAW-UHFFFAOYSA-N -1 3 338.408 2.782 20 5 EFBDHM O=C([N-]c1ncnn1-c1ccccc1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000808506298 1281744586 /nfs/dbraw/zinc/74/45/86/1281744586.db2.gz GIUBXGZTIBHLBW-UHFFFAOYSA-N -1 3 343.730 2.503 20 5 EFBDHM COc1cccc2c(C(=O)OCc3ccc([N+](=O)[O-])cc3)n[n-]c21 ZINC000808675122 1281860217 /nfs/dbraw/zinc/86/02/17/1281860217.db2.gz WUKCNYBNVJUNIR-UHFFFAOYSA-N -1 3 327.296 2.837 20 5 EFBDHM COc1cccc2c(C(=O)OCc3ccc([N+](=O)[O-])cc3)[n-]nc21 ZINC000808675122 1281860220 /nfs/dbraw/zinc/86/02/20/1281860220.db2.gz WUKCNYBNVJUNIR-UHFFFAOYSA-N -1 3 327.296 2.837 20 5 EFBDHM COc1cccc2c(C(=O)OCc3ccccc3[N+](=O)[O-])n[n-]c21 ZINC000808675469 1281860241 /nfs/dbraw/zinc/86/02/41/1281860241.db2.gz HZLIBCQMEIVQQW-UHFFFAOYSA-N -1 3 327.296 2.837 20 5 EFBDHM COc1cccc2c(C(=O)OCc3ccccc3[N+](=O)[O-])[n-]nc21 ZINC000808675469 1281860243 /nfs/dbraw/zinc/86/02/43/1281860243.db2.gz HZLIBCQMEIVQQW-UHFFFAOYSA-N -1 3 327.296 2.837 20 5 EFBDHM COc1cccc2c(C(=O)OCCc3ccc([N+](=O)[O-])cc3)n[n-]c21 ZINC000808676908 1281861251 /nfs/dbraw/zinc/86/12/51/1281861251.db2.gz SITBPPMARKOBBE-UHFFFAOYSA-N -1 3 341.323 2.879 20 5 EFBDHM COc1cccc2c(C(=O)OCCc3ccc([N+](=O)[O-])cc3)[n-]nc21 ZINC000808676908 1281861258 /nfs/dbraw/zinc/86/12/58/1281861258.db2.gz SITBPPMARKOBBE-UHFFFAOYSA-N -1 3 341.323 2.879 20 5 EFBDHM CCC1(C(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCCC1 ZINC001093680105 1284410837 /nfs/dbraw/zinc/41/08/37/1284410837.db2.gz NVNZDOVNJGSQFA-UHFFFAOYSA-N -1 3 336.392 2.584 20 5 EFBDHM CC(C)c1cccc(C(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001093837659 1284554466 /nfs/dbraw/zinc/55/44/66/1284554466.db2.gz BNBBBILINJSJSX-UHFFFAOYSA-N -1 3 344.371 2.661 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(NCCCNC(=O)c2ccccc2[O-])c1 ZINC001094338414 1284943569 /nfs/dbraw/zinc/94/35/69/1284943569.db2.gz JTRIEZBSPUDAIY-UHFFFAOYSA-N -1 3 329.356 2.841 20 5 EFBDHM Cc1cc(C)cc(C(=O)NCCCNc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001094414895 1285040089 /nfs/dbraw/zinc/04/00/89/1285040089.db2.gz XZBXRUUFXJJGOU-UHFFFAOYSA-N -1 3 344.371 2.544 20 5 EFBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Br)[N-]OC/C=C\Cl ZINC000812407364 1285141892 /nfs/dbraw/zinc/14/18/92/1285141892.db2.gz XELVJJDONUQHSE-RJRFIUFISA-N -1 3 349.568 2.700 20 5 EFBDHM CC(C)CCCCC(=O)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094539462 1285271625 /nfs/dbraw/zinc/27/16/25/1285271625.db2.gz XLBKRSZLCPXFAP-UHFFFAOYSA-N -1 3 338.408 2.830 20 5 EFBDHM C=Cc1ccc(C(=O)NCCCNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC001094805294 1285577942 /nfs/dbraw/zinc/57/79/42/1285577942.db2.gz DGPKNJOXRQKYNX-UHFFFAOYSA-N -1 3 342.355 2.570 20 5 EFBDHM O=C(/C=C\C1CC1)NCCCCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094940292 1286235723 /nfs/dbraw/zinc/23/57/23/1286235723.db2.gz QOFCQVOPXPQEBR-FPLPWBNLSA-N -1 3 348.403 2.750 20 5 EFBDHM CC1(CCC(=O)N2CCC(Nc3cc[n-]c(=O)c3[N+](=O)[O-])CC2)CC1 ZINC001095235695 1286723922 /nfs/dbraw/zinc/72/39/22/1286723922.db2.gz HVOXOGHZNLCDQS-UHFFFAOYSA-N -1 3 348.403 2.679 20 5 EFBDHM CC(=O)c1cccc(-c2noc(-c3cc([N+](=O)[O-])c[n-]c3=O)n2)c1 ZINC001212935633 1290901458 /nfs/dbraw/zinc/90/14/58/1290901458.db2.gz DQMHKHHYRQJIRH-UHFFFAOYSA-N -1 3 326.268 2.615 20 5 EFBDHM CC(=O)c1ccccc1-c1noc(-c2cc([N+](=O)[O-])c[n-]c2=O)n1 ZINC001212935832 1290902167 /nfs/dbraw/zinc/90/21/67/1290902167.db2.gz PJDCMHFDTIHPIW-UHFFFAOYSA-N -1 3 326.268 2.615 20 5 EFBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC001212935946 1290902179 /nfs/dbraw/zinc/90/21/79/1290902179.db2.gz WBNIVVWUEIDEBM-UHFFFAOYSA-N -1 3 338.201 2.830 20 5 EFBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nc(-c2cncc3ccccc32)no1 ZINC001212936874 1290904567 /nfs/dbraw/zinc/90/45/67/1290904567.db2.gz BHWFTCMMFANAMY-UHFFFAOYSA-N -1 3 335.279 2.961 20 5 EFBDHM Cc1c(F)ccc(-c2noc(-c3cc([N+](=O)[O-])c[n-]c3=O)n2)c1F ZINC001212937080 1290905063 /nfs/dbraw/zinc/90/50/63/1290905063.db2.gz MFWPTBMHRGAONE-UHFFFAOYSA-N -1 3 334.238 2.999 20 5 EFBDHM CC(C)(C)/C=C/C(=O)N[C@H]1C[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001114744889 1291682043 /nfs/dbraw/zinc/68/20/43/1291682043.db2.gz BUAIQZUSJKCZNR-JBAITWMGSA-N -1 3 348.403 2.604 20 5 EFBDHM CC1(CCC(=O)N[C@H]2C[C@H](CNc3cc[n-]c(=O)c3[N+](=O)[O-])C2)CC1 ZINC001114788012 1292002892 /nfs/dbraw/zinc/00/28/92/1292002892.db2.gz IDJAGBZKMDXHKJ-HAQNSBGRSA-N -1 3 348.403 2.582 20 5 EFBDHM C=C/C(C)=C/CC(=O)N[C@H]1C[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001114804966 1292135678 /nfs/dbraw/zinc/13/56/78/1292135678.db2.gz PNAGNMZVNZJPGX-FGUSQIETSA-N -1 3 346.387 2.525 20 5 EFBDHM CCC1(C(=O)N[C@H]2C[C@H](CNc3cc[n-]c(=O)c3[N+](=O)[O-])C2)CCC1 ZINC001114807249 1292203611 /nfs/dbraw/zinc/20/36/11/1292203611.db2.gz SGPMHNLSXLARQA-HAQNSBGRSA-N -1 3 348.403 2.582 20 5 EFBDHM CCOC(=O)C[C@@H](C)Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233498301 1312943711 /nfs/dbraw/zinc/94/37/11/1312943711.db2.gz LPIHRZCEBNSKTP-SSDOTTSWSA-N -1 3 327.724 2.845 20 5 EFBDHM CC[C@@H](CC(=O)OC)Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233500796 1312943883 /nfs/dbraw/zinc/94/38/83/1312943883.db2.gz UVCFOZUFKJFDMK-ZETCQYMHSA-N -1 3 327.724 2.845 20 5 EFBDHM O=[N+]([O-])c1cc2[n-]c(O[C@@H]3CCc4nccn4C3)nc2cc1Cl ZINC001233505691 1312945854 /nfs/dbraw/zinc/94/58/54/1312945854.db2.gz DGECWEAZOYTHDW-MRVPVSSYSA-N -1 3 333.735 2.715 20 5 EFBDHM O=[N+]([O-])c1cc2nc(O[C@@H]3CCc4nccn4C3)[n-]c2cc1Cl ZINC001233505691 1312945856 /nfs/dbraw/zinc/94/58/56/1312945856.db2.gz DGECWEAZOYTHDW-MRVPVSSYSA-N -1 3 333.735 2.715 20 5 EFBDHM COC[C@H](C)OC[C@@H](C)Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233505769 1312947029 /nfs/dbraw/zinc/94/70/29/1312947029.db2.gz GFWVNYGGWUNNED-DTWKUNHWSA-N -1 3 343.767 2.943 20 5 EFBDHM CCOC(=O)c1sc2nccnc2c1[N-]c1ccc([N+](=O)[O-])nc1 ZINC001203566013 1312958210 /nfs/dbraw/zinc/95/82/10/1312958210.db2.gz AJVQHAGRLSBOBA-UHFFFAOYSA-N -1 3 345.340 2.915 20 5 EFBDHM O=[N+]([O-])c1ccc([N-]c2ncc(Br)nc2Cl)cn1 ZINC001203566324 1312958431 /nfs/dbraw/zinc/95/84/31/1312958431.db2.gz GKXASSGBQBJHAB-UHFFFAOYSA-N -1 3 330.529 2.939 20 5 EFBDHM COc1cc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)ccc1[N+](=O)[O-] ZINC000133641192 1293970173 /nfs/dbraw/zinc/97/01/73/1293970173.db2.gz JPCKKMXFEIFKHL-UHFFFAOYSA-N -1 3 335.247 2.903 20 5 EFBDHM CCOC(Cc1c(=O)[n-]cnc1Nc1cccc([N+](=O)[O-])c1)OCC ZINC001204414639 1313137656 /nfs/dbraw/zinc/13/76/56/1313137656.db2.gz BBPIQWKXWNGRJS-UHFFFAOYSA-N -1 3 348.359 2.776 20 5 EFBDHM O=C(COC(=O)c1cccc(Cl)c1[O-])c1cccc([N+](=O)[O-])c1 ZINC000775936430 1295417820 /nfs/dbraw/zinc/41/78/20/1295417820.db2.gz ZNNLTSALIWBKMH-UHFFFAOYSA-N -1 3 335.699 2.994 20 5 EFBDHM O=c1[n-]cc(-c2nc(-c3ncccc3C3CC3)no2)cc1[N+](=O)[O-] ZINC001212844097 1295537356 /nfs/dbraw/zinc/53/73/56/1295537356.db2.gz KAMOCVSAZXYGOP-UHFFFAOYSA-N -1 3 325.284 2.685 20 5 EFBDHM O=c1[n-]cc(-c2nc(-c3cnc4c(c3)CCCC4)no2)cc1[N+](=O)[O-] ZINC001212844379 1295543776 /nfs/dbraw/zinc/54/37/76/1295543776.db2.gz QNKXZENXRJKHOG-UHFFFAOYSA-N -1 3 339.311 2.686 20 5 EFBDHM Cc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)n(Cc2ccccn2)n1 ZINC001199818508 1295740795 /nfs/dbraw/zinc/74/07/95/1295740795.db2.gz BYXXLFSQKWHIIF-UHFFFAOYSA-N -1 3 325.328 2.992 20 5 EFBDHM COc1nc(Br)cnc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199814090 1295764516 /nfs/dbraw/zinc/76/45/16/1295764516.db2.gz DWDPBDPCINNCOJ-UHFFFAOYSA-N -1 3 341.121 2.605 20 5 EFBDHM Cc1cnn(Cc2ccccn2)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199828438 1295789254 /nfs/dbraw/zinc/78/92/54/1295789254.db2.gz HUNHCSWOEXYHHG-UHFFFAOYSA-N -1 3 325.328 2.992 20 5 EFBDHM Nc1cccnc1N(c1cc([O-])cc([N+](=O)[O-])c1)[C@H]1CC[C@H](O)CC1 ZINC001199828476 1295789357 /nfs/dbraw/zinc/78/93/57/1295789357.db2.gz JKRUCRSRZISIJC-YEORSEQZSA-N -1 3 344.371 2.719 20 5 EFBDHM O=c1nc(O[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c2c([n-]1)CCCS2 ZINC001234907169 1313206794 /nfs/dbraw/zinc/20/67/94/1313206794.db2.gz VSQJSHAAUAWTKF-GFCCVEGCSA-N -1 3 345.380 2.675 20 5 EFBDHM CS(=O)(=O)c1cc(F)c(Nc2cc([O-])cc([N+](=O)[O-])c2)c(F)c1 ZINC001201230046 1296636257 /nfs/dbraw/zinc/63/62/57/1296636257.db2.gz VSKLCQNYOHRMCD-UHFFFAOYSA-N -1 3 344.295 2.726 20 5 EFBDHM COc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)ccc1N1CCOCC1 ZINC001201229730 1296637373 /nfs/dbraw/zinc/63/73/73/1296637373.db2.gz PUMXUUOLMUCHHB-UHFFFAOYSA-N -1 3 345.355 2.889 20 5 EFBDHM CN1CCN(c2ccc(Nc3cc([O-])cc([N+](=O)[O-])c3)cc2F)CC1 ZINC001201221840 1296668753 /nfs/dbraw/zinc/66/87/53/1296668753.db2.gz ITLMCSRYSKTWPY-UHFFFAOYSA-N -1 3 346.362 2.935 20 5 EFBDHM CS(=O)(=O)c1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(F)c1 ZINC001201221393 1296669578 /nfs/dbraw/zinc/66/95/78/1296669578.db2.gz AWZUARGYBVJYTR-UHFFFAOYSA-N -1 3 326.305 2.587 20 5 EFBDHM COc1ccc(C(=O)N(C)C)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201224439 1296671847 /nfs/dbraw/zinc/67/18/47/1296671847.db2.gz NMGOFMOLLDFCDA-UHFFFAOYSA-N -1 3 331.328 2.754 20 5 EFBDHM Cc1ccc(CN2CC[C@H](C(=O)[O-])C[C@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000903940669 1313453547 /nfs/dbraw/zinc/45/35/47/1313453547.db2.gz ILKNAKSZWZLVLV-XIRDDKMYSA-N -1 3 348.399 2.747 20 5 EFBDHM Cc1ccc(CN2CC[C@H](C(=O)[O-])C[C@H]2[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000903940666 1313453646 /nfs/dbraw/zinc/45/36/46/1313453646.db2.gz ILKNAKSZWZLVLV-BHYGNILZSA-N -1 3 348.399 2.747 20 5 EFBDHM Cc1ccc(CN2CC[C@H](C(=O)[O-])C[C@@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000903940667 1313453697 /nfs/dbraw/zinc/45/36/97/1313453697.db2.gz ILKNAKSZWZLVLV-UAGQMJEPSA-N -1 3 348.399 2.747 20 5 EFBDHM CC(C)[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000853342363 1300090725 /nfs/dbraw/zinc/09/07/25/1300090725.db2.gz JNZGDDYLAWFIHW-NSHDSACASA-N -1 3 340.380 2.657 20 5 EFBDHM CC(=O)N(c1ccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc1)C1CC1 ZINC000853647377 1300212723 /nfs/dbraw/zinc/21/27/23/1300212723.db2.gz AKHFWSSCQVRATM-UHFFFAOYSA-N -1 3 328.328 2.954 20 5 EFBDHM CCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCN(C(=O)C=C(C)C)CC1 ZINC001066816680 1301731381 /nfs/dbraw/zinc/73/13/81/1301731381.db2.gz WDFKPMFVCQIZNK-UHFFFAOYSA-N -1 3 348.403 2.845 20 5 EFBDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2cc(C(F)(F)F)no2)c1 ZINC000748356719 1313886214 /nfs/dbraw/zinc/88/62/14/1313886214.db2.gz YIVDMDVOUHBXSS-UHFFFAOYSA-N -1 3 331.206 2.863 20 5 EFBDHM CC(C)(CC(=O)N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1)C1CC1 ZINC001097179929 1313894023 /nfs/dbraw/zinc/89/40/23/1313894023.db2.gz OMYGCDIWYRJUSO-TXEJJXNPSA-N -1 3 348.403 2.581 20 5 EFBDHM CCOC(=O)/C(=C/c1ccc([O-])c(F)c1)c1ccc([N+](=O)[O-])cn1 ZINC000794951446 1303782478 /nfs/dbraw/zinc/78/24/78/1303782478.db2.gz YFHLMWANUCHENX-KPKJPENVSA-N -1 3 332.287 2.938 20 5 EFBDHM O=C([O-])CCN(Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@@H]1CCCO1 ZINC000901677371 1310873305 /nfs/dbraw/zinc/87/33/05/1310873305.db2.gz JYPNPOUCMAQJLV-LBPRGKRZSA-N -1 3 342.779 2.704 20 5 EFBDHM CO[C@@H]1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)[C@@H](C(=O)[O-])C1 ZINC000902031779 1311340250 /nfs/dbraw/zinc/34/02/50/1311340250.db2.gz LYOMJAWQGVRGTF-CZUORRHYSA-N -1 3 336.388 2.782 20 5 EFBDHM CO[C@@H]1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)[C@H](C(=O)[O-])C1 ZINC000902031777 1311340315 /nfs/dbraw/zinc/34/03/15/1311340315.db2.gz LYOMJAWQGVRGTF-CJNGLKHVSA-N -1 3 336.388 2.782 20 5 EFBDHM O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1NCc1ncccc1[O-] ZINC001158773829 1311386038 /nfs/dbraw/zinc/38/60/38/1311386038.db2.gz CUTFBPPINBRZDO-UHFFFAOYSA-N -1 3 349.656 2.770 20 5 EFBDHM O=[N+]([O-])c1c([O-])ccnc1O[C@H]1CCCN(Cc2ccccc2F)C1 ZINC001225664364 1311562231 /nfs/dbraw/zinc/56/22/31/1311562231.db2.gz NXWPPHNXJBPFJQ-ZDUSSCGKSA-N -1 3 347.346 2.878 20 5 EFBDHM O=c1cc[n-]c(O[C@H]2CCCN(Cc3ccccc3F)C2)c1[N+](=O)[O-] ZINC001225664364 1311562233 /nfs/dbraw/zinc/56/22/33/1311562233.db2.gz NXWPPHNXJBPFJQ-ZDUSSCGKSA-N -1 3 347.346 2.878 20 5 EFBDHM Cc1nnc(=O)[n-]c1O[C@@H](c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001226464388 1311672484 /nfs/dbraw/zinc/67/24/84/1311672484.db2.gz PAPZZYQUWQWMIQ-HNNXBMFYSA-N -1 3 338.323 2.962 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CCC(Oc3ccnc(=S)[n-]3)CC2)cc1 ZINC001226935957 1311743818 /nfs/dbraw/zinc/74/38/18/1311743818.db2.gz FFZJBLISLPXALH-UHFFFAOYSA-N -1 3 332.385 2.721 20 5 EFBDHM CC[N@@H+]1CC[C@H](Oc2cc3c([O-])c4c(=O)cccc-4oc3cc2[O-])C1 ZINC001227306417 1311791338 /nfs/dbraw/zinc/79/13/38/1311791338.db2.gz JVOTXNJSMBNIBM-NSHDSACASA-N -1 3 341.363 2.830 20 5 EFBDHM CC[N@H+]1CC[C@H](Oc2cc3c([O-])c4c(=O)cccc-4oc3cc2[O-])C1 ZINC001227306417 1311791341 /nfs/dbraw/zinc/79/13/41/1311791341.db2.gz JVOTXNJSMBNIBM-NSHDSACASA-N -1 3 341.363 2.830 20 5 EFBDHM CCCc1cc(O[C@@H](C)Cn2c(C)ncc2[N+](=O)[O-])[n-]c(=S)n1 ZINC001227423411 1311805084 /nfs/dbraw/zinc/80/50/84/1311805084.db2.gz YSAOQGFCGTZVQL-VIFPVBQESA-N -1 3 337.405 2.598 20 5 EFBDHM COc1cccc2c1[C@@H](Oc1ncc([N+](=O)[O-])c3nc[n-]c31)CCO2 ZINC001227689973 1311839824 /nfs/dbraw/zinc/83/98/24/1311839824.db2.gz DGALHONPCGJRAB-LBPRGKRZSA-N -1 3 342.311 2.777 20 5 EFBDHM O=[N+]([O-])c1cnc(O[C@@H]2CCCN(c3ccccc3)C2)c2[n-]cnc21 ZINC001227692309 1311840610 /nfs/dbraw/zinc/84/06/10/1311840610.db2.gz WGSZFSYRZQYNGS-CYBMUJFWSA-N -1 3 339.355 2.914 20 5 EFBDHM C[C@H]1[C@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)CN1C(=O)OC(C)(C)C ZINC001227743860 1311848747 /nfs/dbraw/zinc/84/87/47/1311848747.db2.gz ZKPACQDZVIPOQJ-TVQRCGJNSA-N -1 3 348.359 2.858 20 5 EFBDHM C[C@H]1[C@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)CN1C(=O)OC(C)(C)C ZINC001227743860 1311848749 /nfs/dbraw/zinc/84/87/49/1311848749.db2.gz ZKPACQDZVIPOQJ-TVQRCGJNSA-N -1 3 348.359 2.858 20 5 EFBDHM CCOC(=O)[C@@H]1CC[C@@H](Oc2nc3cc([N+](=O)[O-])c(C)cc3[n-]2)C1 ZINC001228672758 1311979397 /nfs/dbraw/zinc/97/93/97/1311979397.db2.gz AMTJLQLOAWXMJN-GHMZBOCLSA-N -1 3 333.344 2.890 20 5 EFBDHM COC(=O)[C@@H]1CCC[C@H](Oc2nc3cc([N+](=O)[O-])c(C)cc3[n-]2)C1 ZINC001228674173 1311979906 /nfs/dbraw/zinc/97/99/06/1311979906.db2.gz IMXSNWFVHBKMLL-MNOVXSKESA-N -1 3 333.344 2.890 20 5 EFBDHM COC(=O)[C@H]1CC[C@@H](Oc2nc3cc([N+](=O)[O-])c(C)cc3[n-]2)CC1 ZINC001228677512 1311980002 /nfs/dbraw/zinc/98/00/02/1311980002.db2.gz QXEDQSCIFYPFAX-PHIMTYICSA-N -1 3 333.344 2.890 20 5 EFBDHM CCOC(=O)[C@H](Oc1nc2cc(C)c([N+](=O)[O-])cc2[n-]1)C(F)(F)F ZINC001228676050 1311980112 /nfs/dbraw/zinc/98/01/12/1311980112.db2.gz VJALJLLOUKLYKG-JTQLQIEISA-N -1 3 347.249 2.652 20 5 EFBDHM CCOC(=O)[C@H](Oc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1)C(F)(F)F ZINC001228676050 1311980114 /nfs/dbraw/zinc/98/01/14/1311980114.db2.gz VJALJLLOUKLYKG-JTQLQIEISA-N -1 3 347.249 2.652 20 5 EFBDHM Cc1cc2[n-]c(O[C@H]3CCCC4(C3)OCCO4)nc2cc1[N+](=O)[O-] ZINC001228676468 1311980213 /nfs/dbraw/zinc/98/02/13/1311980213.db2.gz GWRMGCNTXPKVFR-NSHDSACASA-N -1 3 333.344 2.844 20 5 EFBDHM CCOC(=O)CC1CC(Oc2nc3cc([N+](=O)[O-])c(C)cc3[n-]2)C1 ZINC001228674739 1311980282 /nfs/dbraw/zinc/98/02/82/1311980282.db2.gz MEMHSRITVNUVTE-UHFFFAOYSA-N -1 3 333.344 2.890 20 5 EFBDHM Cc1[n-]c(=O)cc(O[C@H](CC(C)C)C(=O)OC(C)C)c1[N+](=O)[O-] ZINC001228685744 1311982068 /nfs/dbraw/zinc/98/20/68/1311982068.db2.gz JZHAOFSJYLPNCZ-GFCCVEGCSA-N -1 3 326.349 2.749 20 5 EFBDHM O=C1CCc2cc([O-])c(O[C@H]3Cc4ccc([N+](=O)[O-])cc4C3)cc21 ZINC001228858531 1312011030 /nfs/dbraw/zinc/01/10/30/1312011030.db2.gz SEWQRJBOFJWIEW-AWEZNQCLSA-N -1 3 325.320 2.976 20 5 EFBDHM Cc1ncc(Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)c(=O)[n-]1 ZINC001162306570 1312085372 /nfs/dbraw/zinc/08/53/72/1312085372.db2.gz ZZVHCSKTAJHPIU-GFCCVEGCSA-N -1 3 341.302 2.606 20 5 EFBDHM C[C@@H](c1ccccn1)N1CC[C@@H](Oc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001229396393 1312089049 /nfs/dbraw/zinc/08/90/49/1312089049.db2.gz SSULXIXVOGVQHR-GXTWGEPZSA-N -1 3 329.356 2.910 20 5 EFBDHM O=c1nc2cccc(F)c2c(O[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)[n-]1 ZINC001231077239 1312424494 /nfs/dbraw/zinc/42/44/94/1312424494.db2.gz SQEVAVHCXORIBS-GFCCVEGCSA-N -1 3 341.298 2.929 20 5 EFBDHM CCOC(=O)c1c([N-]c2ccc(C)cc2[N+](=O)[O-])nn2cccnc12 ZINC001214167175 1314653355 /nfs/dbraw/zinc/65/33/55/1314653355.db2.gz AMZBFDYLVZBYPU-UHFFFAOYSA-N -1 3 341.327 2.866 20 5 EFBDHM CC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCN(C(=O)CCC2CC2)CC1 ZINC001067249580 1314774416 /nfs/dbraw/zinc/77/44/16/1314774416.db2.gz FMHIYQYPALUKNK-UHFFFAOYSA-N -1 3 348.403 2.679 20 5 EFBDHM Cc1nc(-c2noc(C(=O)[N-]c3ccc([N+](=O)[O-])cc3)n2)ccc1F ZINC001248001969 1314880001 /nfs/dbraw/zinc/88/00/01/1314880001.db2.gz QWZYCGFFRHQPDA-UHFFFAOYSA-N -1 3 343.274 2.740 20 5 EFBDHM Cc1ncccc1-c1noc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2)n1 ZINC001248000416 1314880227 /nfs/dbraw/zinc/88/02/27/1314880227.db2.gz RNVCFWCWRHZZKW-UHFFFAOYSA-N -1 3 325.284 2.601 20 5 EFBDHM O=[N+]([O-])c1c(-c2nnc(Cc3ccccc3)o2)[n-]nc1C(F)(F)F ZINC001253561495 1315615845 /nfs/dbraw/zinc/61/58/45/1315615845.db2.gz BSSSOQZGYFGQMM-UHFFFAOYSA-N -1 3 339.233 2.978 20 5 EFBDHM O=[N+]([O-])c1c(-c2nnc(Cc3ccccc3)o2)n[n-]c1C(F)(F)F ZINC001253561495 1315615847 /nfs/dbraw/zinc/61/58/47/1315615847.db2.gz BSSSOQZGYFGQMM-UHFFFAOYSA-N -1 3 339.233 2.978 20 5 EFBDHM COc1cc(C[NH2+][C@@H](C)CCC[C@H](C)C(=O)[O-])c([N+](=O)[O-])cc1[O-] ZINC001324576922 1329641645 /nfs/dbraw/zinc/64/16/45/1329641645.db2.gz YIOHNBOQJKYKFU-QWRGUYRKSA-N -1 3 340.376 2.678 20 5 EFBDHM Cc1cc(S(=O)(=O)[N-]C2(C(F)(F)F)CC2)c(C)cc1[N+](=O)[O-] ZINC001331702440 1330867754 /nfs/dbraw/zinc/86/77/54/1330867754.db2.gz OBSCPLKMPIOPIN-UHFFFAOYSA-N -1 3 338.307 2.585 20 5 EFBDHM O=C(CSc1ccccc1[N+](=O)[O-])Nc1n[n-]c(-c2ccco2)n1 ZINC001339145801 1331802423 /nfs/dbraw/zinc/80/24/23/1331802423.db2.gz CESJRKXXRUJJDL-UHFFFAOYSA-N -1 3 345.340 2.704 20 5 EFBDHM Cc1ccc(CN[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000822238577 1443740776 /nfs/dbraw/zinc/74/07/76/1443740776.db2.gz MSDVKTNEXOSBLG-GFCCVEGCSA-N -1 3 338.371 2.934 20 5 EFBDHM Cc1ccc(CN[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000822238577 1443740778 /nfs/dbraw/zinc/74/07/78/1443740778.db2.gz MSDVKTNEXOSBLG-GFCCVEGCSA-N -1 3 338.371 2.934 20 5 EFBDHM C[C@H](NCc1ccc(-c2nn[n-]n2)s1)c1cccc([N+](=O)[O-])c1 ZINC000820432523 1446272022 /nfs/dbraw/zinc/27/20/22/1446272022.db2.gz PWPXLMOOAKOAFN-VIFPVBQESA-N -1 3 330.373 2.687 20 5 EFBDHM C[C@H](NCc1ccc(-c2nnn[n-]2)s1)c1cccc([N+](=O)[O-])c1 ZINC000820432523 1446272027 /nfs/dbraw/zinc/27/20/27/1446272027.db2.gz PWPXLMOOAKOAFN-VIFPVBQESA-N -1 3 330.373 2.687 20 5 EFBDHM O=C([N-]Cc1ccc(F)cn1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778380860 713455146 /nfs/dbraw/zinc/45/51/46/713455146.db2.gz ZIVZHNGFGVYLMW-UHFFFAOYSA-N -1 3 325.246 2.537 20 5 EFBDHM C[C@@H](N/C=C1\C(=O)[N-]C(=O)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000255668750 717377862 /nfs/dbraw/zinc/37/78/62/717377862.db2.gz RRSBDLVZFDSBMI-FFCYNSPCSA-N -1 3 337.335 2.557 20 5 EFBDHM COc1ccc2c(c1)N(Cc1ccc([O-])c(OC)c1[N+](=O)[O-])CCO2 ZINC000893612984 717590098 /nfs/dbraw/zinc/59/00/98/717590098.db2.gz COFMLHTVVHPCMV-UHFFFAOYSA-N -1 3 346.339 2.717 20 5 EFBDHM O=C(N[C@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])C1)c1ccccc1[O-] ZINC001059554398 724498017 /nfs/dbraw/zinc/49/80/17/724498017.db2.gz RBQCCEAHLWDLEI-TXEJJXNPSA-N -1 3 327.340 2.673 20 5 EFBDHM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(N)c([N+](=O)[O-])c1 ZINC000055572222 728828644 /nfs/dbraw/zinc/82/86/44/728828644.db2.gz LGGSAARRINKMHC-UHFFFAOYSA-N -1 3 341.776 2.940 20 5 EFBDHM COc1ccc2c(c1)CN(Cc1ccc([O-])c(OC)c1[N+](=O)[O-])C2 ZINC000895214587 723881331 /nfs/dbraw/zinc/88/13/31/723881331.db2.gz GGVPGZMQUSHADI-UHFFFAOYSA-N -1 3 330.340 2.833 20 5 EFBDHM O=C(COC(=O)c1cc(-c2ccco2)[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC000731703196 726920092 /nfs/dbraw/zinc/92/00/92/726920092.db2.gz LMONIKLATVRLRM-UHFFFAOYSA-N -1 3 341.279 2.618 20 5 EFBDHM O=C(COC(=O)c1cc(-c2ccco2)n[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000731703196 726920095 /nfs/dbraw/zinc/92/00/95/726920095.db2.gz LMONIKLATVRLRM-UHFFFAOYSA-N -1 3 341.279 2.618 20 5 EFBDHM O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C/c1ccc([O-])c(F)c1 ZINC000157178794 728088550 /nfs/dbraw/zinc/08/85/50/728088550.db2.gz OXJLCWJXDGPLEL-NTUHNPAUSA-N -1 3 328.255 2.784 20 5 EFBDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000920972373 729249702 /nfs/dbraw/zinc/24/97/02/729249702.db2.gz FMUSBLSTUYQLKO-UHFFFAOYSA-N -1 3 335.629 2.637 20 5 EFBDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000920972373 729249705 /nfs/dbraw/zinc/24/97/05/729249705.db2.gz FMUSBLSTUYQLKO-UHFFFAOYSA-N -1 3 335.629 2.637 20 5 EFBDHM O=[N+]([O-])c1cccc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)c1 ZINC000738366705 945262942 /nfs/dbraw/zinc/26/29/42/945262942.db2.gz HZECTDSOHOSNQZ-UHFFFAOYSA-N -1 3 347.338 2.935 20 5 EFBDHM O=[N+]([O-])c1cccc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)c1 ZINC000738366705 945262947 /nfs/dbraw/zinc/26/29/47/945262947.db2.gz HZECTDSOHOSNQZ-UHFFFAOYSA-N -1 3 347.338 2.935 20 5 EFBDHM CC[C@H](C(=O)[O-])N(C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162335545 949390122 /nfs/dbraw/zinc/39/01/22/949390122.db2.gz RQLOBSFWMXPJFZ-SNVBAGLBSA-N -1 3 331.166 2.652 20 5 EFBDHM CC(C)[C@@H](NCc1cccc([N+](=O)[O-])c1Br)C(=O)[O-] ZINC000232707063 949783981 /nfs/dbraw/zinc/78/39/81/949783981.db2.gz MVRZYQKZEFBMID-LLVKDONJSA-N -1 3 331.166 2.556 20 5 EFBDHM O=C([O-])C1(NCc2cccc([N+](=O)[O-])c2Br)CCCC1 ZINC001594882722 954438702 /nfs/dbraw/zinc/43/87/02/954438702.db2.gz PAWATHRZHQOBBA-UHFFFAOYSA-N -1 3 343.177 2.844 20 5 EFBDHM CN(Cc1ccc(Br)cc1[N+](=O)[O-])C(C)(C)C(=O)[O-] ZINC000162336569 959209784 /nfs/dbraw/zinc/20/97/84/959209784.db2.gz APXVEAOCSJGLSP-UHFFFAOYSA-N -1 3 331.166 2.652 20 5 EFBDHM CC(COC(=O)c1ccccc1-c1ccccc1C(=O)[O-])[N+](=O)[O-] ZINC001592772545 979392199 /nfs/dbraw/zinc/39/21/99/979392199.db2.gz QGBCEOZWYPDDHL-NSHDSACASA-N -1 3 329.308 2.874 20 5 EFBDHM Cc1c(CN2CC[C@H](C(=O)[O-])C[C@H]2[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000903942249 981064697 /nfs/dbraw/zinc/06/46/97/981064697.db2.gz BDYNVVGLYDAEIM-RRQGHBQHSA-N -1 3 348.399 2.747 20 5 EFBDHM CC[C@H](C)N[C@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])c1ccco1 ZINC001594994336 982874735 /nfs/dbraw/zinc/87/47/35/982874735.db2.gz LTOLCCCVSMPSCU-CMPLNLGQSA-N -1 3 348.359 2.822 20 5 EFBDHM CCO[C@H]1C[C@H](NCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C12CCC2 ZINC001596836618 985484882 /nfs/dbraw/zinc/48/48/82/985484882.db2.gz DVOVQBACRHCTRR-GJZGRUSLSA-N -1 3 334.372 2.730 20 5 EFBDHM CCO[C@@H]1C[C@@H](NCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C12CCC2 ZINC001596836619 985484915 /nfs/dbraw/zinc/48/49/15/985484915.db2.gz DVOVQBACRHCTRR-HUUCEWRRSA-N -1 3 334.372 2.730 20 5 EFBDHM CC([C@H](OC(=O)c1ccc(C(=O)[O-])o1)c1ccccc1F)[N+](=O)[O-] ZINC001589552360 987286164 /nfs/dbraw/zinc/28/61/64/987286164.db2.gz FIPYCTAIXFDWAG-OQPBUACISA-N -1 3 337.259 2.680 20 5 EFBDHM C[C@](NCCOCc1ccccc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593272130 994609382 /nfs/dbraw/zinc/60/93/82/994609382.db2.gz PIWNBNBVBABBKT-GOSISDBHSA-N -1 3 344.367 2.701 20 5 EFBDHM C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC001593738546 996349168 /nfs/dbraw/zinc/34/91/68/996349168.db2.gz XISQKLRNDZEBAC-GIPNMCIBSA-N -1 3 346.343 2.501 20 5 EFBDHM C[C@@H]1CCCN1CCNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001594387069 999463853 /nfs/dbraw/zinc/46/38/53/999463853.db2.gz DDSTVRFFNUOSAM-SECBINFHSA-N -1 3 327.768 2.843 20 5 EFBDHM CN(CCc1cccs1)c1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001579231939 1090553320 /nfs/dbraw/zinc/55/33/20/1090553320.db2.gz PONBFBGBJBUACI-UHFFFAOYSA-N -1 3 348.363 2.654 20 5 EFBDHM CN(CCc1cccs1)c1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001579231939 1090553325 /nfs/dbraw/zinc/55/33/25/1090553325.db2.gz PONBFBGBJBUACI-UHFFFAOYSA-N -1 3 348.363 2.654 20 5 EFBDHM C[C@]12CN(c3cc(-c4nnn[n-]4)ccc3[N+](=O)[O-])C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001580460881 1090909290 /nfs/dbraw/zinc/90/92/90/1090909290.db2.gz RPXVTDMIHSPJNE-YRZLHWLASA-N -1 3 340.387 2.647 20 5 EFBDHM C[C@]12CN(c3cc(-c4nn[n-]n4)ccc3[N+](=O)[O-])C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001580460881 1090909293 /nfs/dbraw/zinc/90/92/93/1090909293.db2.gz RPXVTDMIHSPJNE-YRZLHWLASA-N -1 3 340.387 2.647 20 5 EFBDHM Cc1ccc(Cl)cc1CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001581201355 1091092573 /nfs/dbraw/zinc/09/25/73/1091092573.db2.gz AGGQUJFHBLFKKB-UHFFFAOYSA-N -1 3 345.750 2.744 20 5 EFBDHM Cc1ccc(Cl)cc1CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001581201355 1091092576 /nfs/dbraw/zinc/09/25/76/1091092576.db2.gz AGGQUJFHBLFKKB-UHFFFAOYSA-N -1 3 345.750 2.744 20 5 EFBDHM O=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c(F)c1F ZINC001582791269 1091664294 /nfs/dbraw/zinc/66/42/94/1091664294.db2.gz XNZBDZXCKFVAFZ-UHFFFAOYSA-N -1 3 347.237 2.658 20 5 EFBDHM O=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c(F)c1F ZINC001582791269 1091664298 /nfs/dbraw/zinc/66/42/98/1091664298.db2.gz XNZBDZXCKFVAFZ-UHFFFAOYSA-N -1 3 347.237 2.658 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NC[C@@H]1CCCC1(F)F ZINC001582803860 1091668214 /nfs/dbraw/zinc/66/82/14/1091668214.db2.gz XMVATHVQSJGNQM-ZETCQYMHSA-N -1 3 342.281 2.761 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NC[C@@H]1CCCC1(F)F ZINC001582803860 1091668218 /nfs/dbraw/zinc/66/82/18/1091668218.db2.gz XMVATHVQSJGNQM-ZETCQYMHSA-N -1 3 342.281 2.761 20 5 EFBDHM O=[N+]([O-])c1cc(OCc2ccc(-c3nnn[n-]3)s2)c(F)cc1F ZINC001582803299 1091668304 /nfs/dbraw/zinc/66/83/04/1091668304.db2.gz BFXWZBHAGQNQIU-UHFFFAOYSA-N -1 3 339.283 2.694 20 5 EFBDHM O=[N+]([O-])c1ccc(NCc2cccc3ncccc23)c(-c2nnn[n-]2)c1 ZINC001582804146 1091668319 /nfs/dbraw/zinc/66/83/19/1091668319.db2.gz KSKSEEOFSXBPMN-UHFFFAOYSA-N -1 3 347.338 2.935 20 5 EFBDHM O=[N+]([O-])c1ccc(NCc2cccc3ncccc23)c(-c2nn[n-]n2)c1 ZINC001582804146 1091668325 /nfs/dbraw/zinc/66/83/25/1091668325.db2.gz KSKSEEOFSXBPMN-UHFFFAOYSA-N -1 3 347.338 2.935 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCCc1ccc(F)cc1F ZINC001582804295 1091668571 /nfs/dbraw/zinc/66/85/71/1091668571.db2.gz QITOEPVNOOFNAC-UHFFFAOYSA-N -1 3 346.297 2.708 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCCc1ccc(F)cc1F ZINC001582804295 1091668573 /nfs/dbraw/zinc/66/85/73/1091668573.db2.gz QITOEPVNOOFNAC-UHFFFAOYSA-N -1 3 346.297 2.708 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CCC[C@H](C2CCC2)C1 ZINC001582804030 1091668921 /nfs/dbraw/zinc/66/89/21/1091668921.db2.gz GBVSRVVXFSLVSQ-LBPRGKRZSA-N -1 3 328.376 2.791 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CCC[C@H](C2CCC2)C1 ZINC001582804030 1091668928 /nfs/dbraw/zinc/66/89/28/1091668928.db2.gz GBVSRVVXFSLVSQ-LBPRGKRZSA-N -1 3 328.376 2.791 20 5 EFBDHM C/C(=C\Cl)CSc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001588769510 1092984826 /nfs/dbraw/zinc/98/48/26/1092984826.db2.gz VYUFHICTYUEYIS-GQCTYLIASA-N -1 3 326.769 2.592 20 5 EFBDHM C/C(=C\Cl)CSc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001588769510 1092984835 /nfs/dbraw/zinc/98/48/35/1092984835.db2.gz VYUFHICTYUEYIS-GQCTYLIASA-N -1 3 326.769 2.592 20 5 EFBDHM CC(=O)c1ccc(NCc2ccc(-c3nnn[n-]3)s2)c([N+](=O)[O-])c1 ZINC001588915904 1093011055 /nfs/dbraw/zinc/01/10/55/1093011055.db2.gz WNODJGZQZHKYQC-UHFFFAOYSA-N -1 3 344.356 2.651 20 5 EFBDHM CC(C)(C)C(=O)CSCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589074675 1093025637 /nfs/dbraw/zinc/02/56/37/1093025637.db2.gz IOIXFVVCKMOQOD-UHFFFAOYSA-N -1 3 335.389 2.623 20 5 EFBDHM CC(C)(C)C(=O)CSCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589074675 1093025642 /nfs/dbraw/zinc/02/56/42/1093025642.db2.gz IOIXFVVCKMOQOD-UHFFFAOYSA-N -1 3 335.389 2.623 20 5 EFBDHM CC(C)(C)OCCSCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589197964 1093045756 /nfs/dbraw/zinc/04/57/56/1093045756.db2.gz XRHLHXAOPUVQAD-UHFFFAOYSA-N -1 3 337.405 2.823 20 5 EFBDHM CC(C)(C)OCCSCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589197964 1093045761 /nfs/dbraw/zinc/04/57/61/1093045761.db2.gz XRHLHXAOPUVQAD-UHFFFAOYSA-N -1 3 337.405 2.823 20 5 EFBDHM CC(C)(CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C(F)(F)F ZINC001589288998 1093064729 /nfs/dbraw/zinc/06/47/29/1093064729.db2.gz WHCAJGSHJUMDSH-UHFFFAOYSA-N -1 3 330.270 2.775 20 5 EFBDHM CC(C)(CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C(F)(F)F ZINC001589288998 1093064735 /nfs/dbraw/zinc/06/47/35/1093064735.db2.gz WHCAJGSHJUMDSH-UHFFFAOYSA-N -1 3 330.270 2.775 20 5 EFBDHM CC(C)(CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])C1=CCOCC1 ZINC001589288314 1093064863 /nfs/dbraw/zinc/06/48/63/1093064863.db2.gz MXWYQUVBDKSZNG-UHFFFAOYSA-N -1 3 344.375 2.560 20 5 EFBDHM CC(C)(CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])C1=CCOCC1 ZINC001589288314 1093064873 /nfs/dbraw/zinc/06/48/73/1093064873.db2.gz MXWYQUVBDKSZNG-UHFFFAOYSA-N -1 3 344.375 2.560 20 5 EFBDHM CC(C)(CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])c1ccncc1 ZINC001589288753 1093065733 /nfs/dbraw/zinc/06/57/33/1093065733.db2.gz RDEJIDLYFVHASF-UHFFFAOYSA-N -1 3 339.359 2.560 20 5 EFBDHM CC(C)(CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])c1ccncc1 ZINC001589288753 1093065744 /nfs/dbraw/zinc/06/57/44/1093065744.db2.gz RDEJIDLYFVHASF-UHFFFAOYSA-N -1 3 339.359 2.560 20 5 EFBDHM CC(C)(CNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1)C1CCCC1 ZINC001589293071 1093067880 /nfs/dbraw/zinc/06/78/80/1093067880.db2.gz OTYFCRLPUFGDLG-UHFFFAOYSA-N -1 3 345.407 2.985 20 5 EFBDHM CC(C)(CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1)C1CCCC1 ZINC001589293071 1093067888 /nfs/dbraw/zinc/06/78/88/1093067888.db2.gz OTYFCRLPUFGDLG-UHFFFAOYSA-N -1 3 345.407 2.985 20 5 EFBDHM CC(C)[C@@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@@H]1C(C)C ZINC001589518276 1093101555 /nfs/dbraw/zinc/10/15/55/1093101555.db2.gz RXUDWIIUAMIQGY-SWLSCSKDSA-N -1 3 330.392 2.892 20 5 EFBDHM CC(C)[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@@H]1C(C)C ZINC001589518276 1093101562 /nfs/dbraw/zinc/10/15/62/1093101562.db2.gz RXUDWIIUAMIQGY-SWLSCSKDSA-N -1 3 330.392 2.892 20 5 EFBDHM CC(C)[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@@H]1C(C)C ZINC001589517205 1093102087 /nfs/dbraw/zinc/10/20/87/1093102087.db2.gz LPPIZDRCQNWIFY-DZGCQCFKSA-N -1 3 330.392 2.892 20 5 EFBDHM CC(C)[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@@H]1C(C)C ZINC001589517205 1093102089 /nfs/dbraw/zinc/10/20/89/1093102089.db2.gz LPPIZDRCQNWIFY-DZGCQCFKSA-N -1 3 330.392 2.892 20 5 EFBDHM CC(C)C[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CCO1 ZINC001589571225 1093107933 /nfs/dbraw/zinc/10/79/33/1093107933.db2.gz GZYNXTCZSGHYQM-CHWSQXEVSA-N -1 3 346.391 2.781 20 5 EFBDHM CC(C)c1c[nH]c(Sc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])n1 ZINC001589764935 1093137071 /nfs/dbraw/zinc/13/70/71/1093137071.db2.gz GRGDYASGCVNESH-UHFFFAOYSA-N -1 3 331.361 2.773 20 5 EFBDHM CC(C)c1c[nH]c(Sc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])n1 ZINC001589764935 1093137073 /nfs/dbraw/zinc/13/70/73/1093137073.db2.gz GRGDYASGCVNESH-UHFFFAOYSA-N -1 3 331.361 2.773 20 5 EFBDHM C[C@@H](CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)Oc1ccccc1 ZINC001589876761 1093162162 /nfs/dbraw/zinc/16/21/62/1093162162.db2.gz PTYDENVATTZGSK-NSHDSACASA-N -1 3 340.343 2.654 20 5 EFBDHM C[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1cc(-c2nnn[n-]2)ccn1 ZINC001589973557 1093204515 /nfs/dbraw/zinc/20/45/15/1093204515.db2.gz FXQBPLYSNAOTEA-GHMZBOCLSA-N -1 3 339.359 2.582 20 5 EFBDHM C[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1cc(-c2nn[n-]n2)ccn1 ZINC001589973557 1093204522 /nfs/dbraw/zinc/20/45/22/1093204522.db2.gz FXQBPLYSNAOTEA-GHMZBOCLSA-N -1 3 339.359 2.582 20 5 EFBDHM CC1(C)CC2(CC(Nc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])C2)CO1 ZINC001590088543 1093260261 /nfs/dbraw/zinc/26/02/61/1093260261.db2.gz ZAZRCKRNICTOAZ-UHFFFAOYSA-N -1 3 344.375 2.535 20 5 EFBDHM CC1(C)CC2(CC(Nc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])C2)CO1 ZINC001590088543 1093260265 /nfs/dbraw/zinc/26/02/65/1093260265.db2.gz ZAZRCKRNICTOAZ-UHFFFAOYSA-N -1 3 344.375 2.535 20 5 EFBDHM CC1(C)CCC[C@@H]1CCNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590094589 1093263545 /nfs/dbraw/zinc/26/35/45/1093263545.db2.gz CUFUKBFAAAGDEX-LLVKDONJSA-N -1 3 331.380 2.798 20 5 EFBDHM CC1(C)CCC[C@@H]1CCNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590094589 1093263552 /nfs/dbraw/zinc/26/35/52/1093263552.db2.gz CUFUKBFAAAGDEX-LLVKDONJSA-N -1 3 331.380 2.798 20 5 EFBDHM C[C@]1(c2ccccc2)C[C@@H]1Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590152232 1093284951 /nfs/dbraw/zinc/28/49/51/1093284951.db2.gz STZDPXULBKMQOJ-WMLDXEAASA-N -1 3 336.355 2.917 20 5 EFBDHM C[C@]1(c2ccccc2)C[C@@H]1Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590152232 1093284957 /nfs/dbraw/zinc/28/49/57/1093284957.db2.gz STZDPXULBKMQOJ-WMLDXEAASA-N -1 3 336.355 2.917 20 5 EFBDHM C[C@@H]1C[C@@H](CCNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC001590190085 1093298627 /nfs/dbraw/zinc/29/86/27/1093298627.db2.gz OEFIUIZAXSGFRA-ZSBIGDGJSA-N -1 3 346.391 2.781 20 5 EFBDHM C[C@@H]1C[C@@H](CCNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC001590190085 1093298633 /nfs/dbraw/zinc/29/86/33/1093298633.db2.gz OEFIUIZAXSGFRA-ZSBIGDGJSA-N -1 3 346.391 2.781 20 5 EFBDHM C[C@H]1CCCC[C@H]1C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590250281 1093338978 /nfs/dbraw/zinc/33/89/78/1093338978.db2.gz OBPHOLJFXQCHDU-WDEREUQCSA-N -1 3 345.359 2.644 20 5 EFBDHM C[C@H]1CCCC[C@H]1C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590250281 1093338982 /nfs/dbraw/zinc/33/89/82/1093338982.db2.gz OBPHOLJFXQCHDU-WDEREUQCSA-N -1 3 345.359 2.644 20 5 EFBDHM C[C@@H]1CCCC[C@@H]1OCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590254131 1093344015 /nfs/dbraw/zinc/34/40/15/1093344015.db2.gz JXIHKBHXDZGZMI-ABAIWWIYSA-N -1 3 346.391 2.782 20 5 EFBDHM C[C@@H]1CCCC[C@@H]1OCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590254131 1093344022 /nfs/dbraw/zinc/34/40/22/1093344022.db2.gz JXIHKBHXDZGZMI-ABAIWWIYSA-N -1 3 346.391 2.782 20 5 EFBDHM C[C@H]1Oc2ccccc2[C@@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590336104 1093382283 /nfs/dbraw/zinc/38/22/83/1093382283.db2.gz JNUBKRGAEDAURO-RFAUZJTJSA-N -1 3 338.327 2.709 20 5 EFBDHM C[C@H]1Oc2ccccc2[C@@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590336104 1093382289 /nfs/dbraw/zinc/38/22/89/1093382289.db2.gz JNUBKRGAEDAURO-RFAUZJTJSA-N -1 3 338.327 2.709 20 5 EFBDHM CC[C@](C)(NCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C(F)(F)F ZINC001590382424 1093397621 /nfs/dbraw/zinc/39/76/21/1093397621.db2.gz NSPRUVJTUYZLEX-LBPRGKRZSA-N -1 3 344.297 2.596 20 5 EFBDHM CC[C@](C)(NCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C(F)(F)F ZINC001590382424 1093397629 /nfs/dbraw/zinc/39/76/29/1093397629.db2.gz NSPRUVJTUYZLEX-LBPRGKRZSA-N -1 3 344.297 2.596 20 5 EFBDHM CCC(CC)CCCN(C)c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590433808 1093419581 /nfs/dbraw/zinc/41/95/81/1093419581.db2.gz MSJRBCYYRSMXBH-UHFFFAOYSA-N -1 3 333.396 2.823 20 5 EFBDHM CCC(CC)CCCN(C)c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590433808 1093419584 /nfs/dbraw/zinc/41/95/84/1093419584.db2.gz MSJRBCYYRSMXBH-UHFFFAOYSA-N -1 3 333.396 2.823 20 5 EFBDHM CCC[C@H](C)CC(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590550056 1093481113 /nfs/dbraw/zinc/48/11/13/1093481113.db2.gz OTUQZZNYXQCAOJ-JTQLQIEISA-N -1 3 333.348 2.644 20 5 EFBDHM CCC[C@H](C)CC(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590550056 1093481116 /nfs/dbraw/zinc/48/11/16/1093481116.db2.gz OTUQZZNYXQCAOJ-JTQLQIEISA-N -1 3 333.348 2.644 20 5 EFBDHM CCN(Cc1ccccc1F)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590720850 1093556532 /nfs/dbraw/zinc/55/65/32/1093556532.db2.gz HDHJGQOKHOXPEO-UHFFFAOYSA-N -1 3 342.334 2.941 20 5 EFBDHM CCN(Cc1ccccc1F)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590720850 1093556538 /nfs/dbraw/zinc/55/65/38/1093556538.db2.gz HDHJGQOKHOXPEO-UHFFFAOYSA-N -1 3 342.334 2.941 20 5 EFBDHM CCO[C@@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590818898 1093581496 /nfs/dbraw/zinc/58/14/96/1093581496.db2.gz CNMNFLCTPXTCAA-TZMCWYRMSA-N -1 3 332.364 2.535 20 5 EFBDHM CCO[C@@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590818898 1093581501 /nfs/dbraw/zinc/58/15/01/1093581501.db2.gz CNMNFLCTPXTCAA-TZMCWYRMSA-N -1 3 332.364 2.535 20 5 EFBDHM CCOc1ccc(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)cc1 ZINC001590836224 1093590687 /nfs/dbraw/zinc/59/06/87/1093590687.db2.gz PJRWPVFZEQYEMM-UHFFFAOYSA-N -1 3 340.343 2.786 20 5 EFBDHM CCc1cc(-c2nn[n-]n2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC001590876224 1093609051 /nfs/dbraw/zinc/60/90/51/1093609051.db2.gz BYBKBKSAEVDFRG-UHFFFAOYSA-N -1 3 325.328 2.916 20 5 EFBDHM CCc1ccc(Oc2cc(C)c(-c3nnn[n-]3)cn2)c([N+](=O)[O-])c1 ZINC001590891534 1093619562 /nfs/dbraw/zinc/61/95/62/1093619562.db2.gz LDRBXAQSRXBCBG-UHFFFAOYSA-N -1 3 326.316 2.833 20 5 EFBDHM CCc1ccc(Oc2cc(C)c(-c3nn[n-]n3)cn2)c([N+](=O)[O-])c1 ZINC001590891534 1093619564 /nfs/dbraw/zinc/61/95/64/1093619564.db2.gz LDRBXAQSRXBCBG-UHFFFAOYSA-N -1 3 326.316 2.833 20 5 EFBDHM CCc1csc([C@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)n1 ZINC001590902745 1093627768 /nfs/dbraw/zinc/62/77/68/1093627768.db2.gz PUPCAVGKPIFQBL-QMMMGPOBSA-N -1 3 345.388 2.967 20 5 EFBDHM CCc1csc([C@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)n1 ZINC001590902745 1093627771 /nfs/dbraw/zinc/62/77/71/1093627771.db2.gz PUPCAVGKPIFQBL-QMMMGPOBSA-N -1 3 345.388 2.967 20 5 EFBDHM CCc1csc(Sc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)n1 ZINC001590902838 1093628057 /nfs/dbraw/zinc/62/80/57/1093628057.db2.gz WAMYAFBMSKXUCL-UHFFFAOYSA-N -1 3 334.386 2.945 20 5 EFBDHM CCc1csc(Sc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)n1 ZINC001590902838 1093628060 /nfs/dbraw/zinc/62/80/60/1093628060.db2.gz WAMYAFBMSKXUCL-UHFFFAOYSA-N -1 3 334.386 2.945 20 5 EFBDHM CCc1nc(C)ccc1OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590911611 1093628783 /nfs/dbraw/zinc/62/87/83/1093628783.db2.gz LZINWYRXWUNIKV-UHFFFAOYSA-N -1 3 340.343 2.620 20 5 EFBDHM CCc1nc(C)ccc1OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590911611 1093628796 /nfs/dbraw/zinc/62/87/96/1093628796.db2.gz LZINWYRXWUNIKV-UHFFFAOYSA-N -1 3 340.343 2.620 20 5 EFBDHM CN(Cc1c(F)cccc1F)c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591126859 1093664198 /nfs/dbraw/zinc/66/41/98/1093664198.db2.gz KRMSDHZYCMHFTB-UHFFFAOYSA-N -1 3 346.297 2.690 20 5 EFBDHM CN(Cc1c(F)cccc1F)c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591126859 1093664204 /nfs/dbraw/zinc/66/42/04/1093664204.db2.gz KRMSDHZYCMHFTB-UHFFFAOYSA-N -1 3 346.297 2.690 20 5 EFBDHM CN(Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])c1c(F)cccc1F ZINC001591125264 1093665089 /nfs/dbraw/zinc/66/50/89/1093665089.db2.gz BRQBBKYVPXXNKU-UHFFFAOYSA-N -1 3 346.297 2.690 20 5 EFBDHM CN(Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])c1c(F)cccc1F ZINC001591125264 1093665091 /nfs/dbraw/zinc/66/50/91/1093665091.db2.gz BRQBBKYVPXXNKU-UHFFFAOYSA-N -1 3 346.297 2.690 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1COc1ccc(-c2nn[n-]n2)cc1C ZINC001591554534 1093767080 /nfs/dbraw/zinc/76/70/80/1093767080.db2.gz CDYORUGDPJOPKW-UHFFFAOYSA-N -1 3 341.327 2.671 20 5 EFBDHM COc1ccc([N+](=O)[O-])c(OCc2cc(F)ccc2-c2nnn[n-]2)c1 ZINC001591623125 1093804204 /nfs/dbraw/zinc/80/42/04/1093804204.db2.gz JNCPUWVIJSOEOS-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1ccc([N+](=O)[O-])c(OCc2cc(F)ccc2-c2nn[n-]n2)c1 ZINC001591623125 1093804208 /nfs/dbraw/zinc/80/42/08/1093804208.db2.gz JNCPUWVIJSOEOS-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM CSCC1(CCNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC1 ZINC001591697839 1093831489 /nfs/dbraw/zinc/83/14/89/1093831489.db2.gz XTKMCEOCXLMCOG-UHFFFAOYSA-N -1 3 334.405 2.720 20 5 EFBDHM CSCC1(CCNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CC1 ZINC001591697839 1093831497 /nfs/dbraw/zinc/83/14/97/1093831497.db2.gz XTKMCEOCXLMCOG-UHFFFAOYSA-N -1 3 334.405 2.720 20 5 EFBDHM CSc1ccc(CNc2ncc([N+](=O)[O-])s2)cc1-c1nnn[n-]1 ZINC001591714806 1093839575 /nfs/dbraw/zinc/83/95/75/1093839575.db2.gz ILTMVAOMCVSQLN-UHFFFAOYSA-N -1 3 349.401 2.565 20 5 EFBDHM CSc1ccc(CNc2ncc([N+](=O)[O-])s2)cc1-c1nn[n-]n1 ZINC001591714806 1093839586 /nfs/dbraw/zinc/83/95/86/1093839586.db2.gz ILTMVAOMCVSQLN-UHFFFAOYSA-N -1 3 349.401 2.565 20 5 EFBDHM C[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC001591770913 1093854034 /nfs/dbraw/zinc/85/40/34/1093854034.db2.gz PQZMBPYPGWAJCE-QMMMGPOBSA-N -1 3 345.750 2.996 20 5 EFBDHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC001591770913 1093854040 /nfs/dbraw/zinc/85/40/40/1093854040.db2.gz PQZMBPYPGWAJCE-QMMMGPOBSA-N -1 3 345.750 2.996 20 5 EFBDHM C[C@H](Nc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-])c1cccc(O)c1 ZINC001591771026 1093855336 /nfs/dbraw/zinc/85/53/36/1093855336.db2.gz QXLFKIWHGUILJB-QMMMGPOBSA-N -1 3 344.306 2.793 20 5 EFBDHM C[C@H](Nc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-])c1cccc(O)c1 ZINC001591771026 1093855341 /nfs/dbraw/zinc/85/53/41/1093855341.db2.gz QXLFKIWHGUILJB-QMMMGPOBSA-N -1 3 344.306 2.793 20 5 EFBDHM Cc1cc(-c2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)ccc1[N+](=O)[O-] ZINC001591833665 1093876278 /nfs/dbraw/zinc/87/62/78/1093876278.db2.gz JOJJPLPUADWTOH-UHFFFAOYSA-N -1 3 349.310 2.800 20 5 EFBDHM Cc1cc(-c2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)ccc1[N+](=O)[O-] ZINC001591833665 1093876282 /nfs/dbraw/zinc/87/62/82/1093876282.db2.gz JOJJPLPUADWTOH-UHFFFAOYSA-N -1 3 349.310 2.800 20 5 EFBDHM Cc1cc(-c2nnn[n-]2)cc(Oc2cc(C)c([N+](=O)[O-])cc2F)n1 ZINC001591860304 1093899478 /nfs/dbraw/zinc/89/94/78/1093899478.db2.gz ICANLTFQHCQFDY-UHFFFAOYSA-N -1 3 330.279 2.718 20 5 EFBDHM Cc1cc(-c2nn[n-]n2)cc(Oc2cc(C)c([N+](=O)[O-])cc2F)n1 ZINC001591860304 1093899481 /nfs/dbraw/zinc/89/94/81/1093899481.db2.gz ICANLTFQHCQFDY-UHFFFAOYSA-N -1 3 330.279 2.718 20 5 EFBDHM Cc1cc([C@@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c(C)o1 ZINC001591940446 1093924469 /nfs/dbraw/zinc/92/44/69/1093924469.db2.gz PPKCTRXOQNOCFA-MRVPVSSYSA-N -1 3 329.320 2.553 20 5 EFBDHM Cc1cc([C@@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c(C)o1 ZINC001591940446 1093924474 /nfs/dbraw/zinc/92/44/74/1093924474.db2.gz PPKCTRXOQNOCFA-MRVPVSSYSA-N -1 3 329.320 2.553 20 5 EFBDHM Cc1cc(C)c([N+](=O)[O-])c(OCc2cc(F)ccc2-c2nnn[n-]2)n1 ZINC001591950534 1093930332 /nfs/dbraw/zinc/93/03/32/1093930332.db2.gz BKWZKPATYSMKQR-UHFFFAOYSA-N -1 3 344.306 2.505 20 5 EFBDHM Cc1cc(C)c([N+](=O)[O-])c(OCc2cc(F)ccc2-c2nn[n-]n2)n1 ZINC001591950534 1093930336 /nfs/dbraw/zinc/93/03/36/1093930336.db2.gz BKWZKPATYSMKQR-UHFFFAOYSA-N -1 3 344.306 2.505 20 5 EFBDHM Cc1cc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc(C)c1O ZINC001591970401 1093939193 /nfs/dbraw/zinc/93/91/93/1093939193.db2.gz GFQJMGYBJJEANT-UHFFFAOYSA-N -1 3 340.343 2.709 20 5 EFBDHM Cc1cc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc(C)c1O ZINC001591970401 1093939200 /nfs/dbraw/zinc/93/92/00/1093939200.db2.gz GFQJMGYBJJEANT-UHFFFAOYSA-N -1 3 340.343 2.709 20 5 EFBDHM Cc1cc(F)c(-c2nnn[n-]2)c(NCc2cccc([N+](=O)[O-])c2)c1 ZINC001591978254 1093943222 /nfs/dbraw/zinc/94/32/22/1093943222.db2.gz BQEQPVUMLFNBBS-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM Cc1cc(F)c(-c2nn[n-]n2)c(NCc2cccc([N+](=O)[O-])c2)c1 ZINC001591978254 1093943226 /nfs/dbraw/zinc/94/32/26/1093943226.db2.gz BQEQPVUMLFNBBS-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM Cc1cc(N(C)C[C@@H]2CC=CCC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591994769 1093950056 /nfs/dbraw/zinc/95/00/56/1093950056.db2.gz CBVAPOAWMDDDAY-GFCCVEGCSA-N -1 3 328.376 2.876 20 5 EFBDHM Cc1cc(N(C)C[C@@H]2CC=CCC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591994769 1093950058 /nfs/dbraw/zinc/95/00/58/1093950058.db2.gz CBVAPOAWMDDDAY-GFCCVEGCSA-N -1 3 328.376 2.876 20 5 EFBDHM Cc1cc(N2CCS[C@H](C(C)C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592008268 1093952703 /nfs/dbraw/zinc/95/27/03/1093952703.db2.gz DKJIJAAWFCBPGW-AWEZNQCLSA-N -1 3 348.432 2.661 20 5 EFBDHM Cc1cc(N2CCS[C@H](C(C)C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592008268 1093952705 /nfs/dbraw/zinc/95/27/05/1093952705.db2.gz DKJIJAAWFCBPGW-AWEZNQCLSA-N -1 3 348.432 2.661 20 5 EFBDHM Cc1cc(N2CCc3ccccc3C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592009895 1093952733 /nfs/dbraw/zinc/95/27/33/1093952733.db2.gz VXMCTHDBCANYPU-UHFFFAOYSA-N -1 3 336.355 2.646 20 5 EFBDHM Cc1cc(N2CCc3ccccc3C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592009895 1093952735 /nfs/dbraw/zinc/95/27/35/1093952735.db2.gz VXMCTHDBCANYPU-UHFFFAOYSA-N -1 3 336.355 2.646 20 5 EFBDHM Cc1cc(N2CC[C@H](c3ccco3)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592002449 1093953033 /nfs/dbraw/zinc/95/30/33/1093953033.db2.gz VTWUMJJIIBZZMQ-NSHDSACASA-N -1 3 340.343 2.670 20 5 EFBDHM Cc1cc(N2CC[C@H](c3ccco3)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592002449 1093953034 /nfs/dbraw/zinc/95/30/34/1093953034.db2.gz VTWUMJJIIBZZMQ-NSHDSACASA-N -1 3 340.343 2.670 20 5 EFBDHM Cc1cccnc1[C@H](C)Nc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001592034789 1093962646 /nfs/dbraw/zinc/96/26/46/1093962646.db2.gz NFUGUJUBDCUADQ-NSHDSACASA-N -1 3 339.359 2.960 20 5 EFBDHM Cc1cccnc1[C@H](C)Nc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001592034789 1093962650 /nfs/dbraw/zinc/96/26/50/1093962650.db2.gz NFUGUJUBDCUADQ-NSHDSACASA-N -1 3 339.359 2.960 20 5 EFBDHM Cc1cc(NCCCCOC(C)C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592046723 1093965095 /nfs/dbraw/zinc/96/50/95/1093965095.db2.gz GJYIEYNAHIVOCM-UHFFFAOYSA-N -1 3 334.380 2.700 20 5 EFBDHM Cc1cc(NCCCCOC(C)C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592046723 1093965102 /nfs/dbraw/zinc/96/51/02/1093965102.db2.gz GJYIEYNAHIVOCM-UHFFFAOYSA-N -1 3 334.380 2.700 20 5 EFBDHM Cc1cc(NC[C@@H]2CCCCS2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592043553 1093965520 /nfs/dbraw/zinc/96/55/20/1093965520.db2.gz HCRAJKYCINNIHY-JTQLQIEISA-N -1 3 334.405 2.781 20 5 EFBDHM Cc1cc(NC[C@@H]2CCCCS2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592043553 1093965521 /nfs/dbraw/zinc/96/55/21/1093965521.db2.gz HCRAJKYCINNIHY-JTQLQIEISA-N -1 3 334.405 2.781 20 5 EFBDHM Cc1cc(Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)ccc1N(C)C ZINC001592056324 1093969703 /nfs/dbraw/zinc/96/97/03/1093969703.db2.gz AWFLEIQQAGXPFS-UHFFFAOYSA-N -1 3 339.359 2.893 20 5 EFBDHM Cc1cc(Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)ccc1N(C)C ZINC001592056324 1093969705 /nfs/dbraw/zinc/96/97/05/1093969705.db2.gz AWFLEIQQAGXPFS-UHFFFAOYSA-N -1 3 339.359 2.893 20 5 EFBDHM Cc1cc(Oc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001592063145 1093972352 /nfs/dbraw/zinc/97/23/52/1093972352.db2.gz ZPKAPFBQJRZGLB-UHFFFAOYSA-N -1 3 342.271 2.784 20 5 EFBDHM Cc1cc(Oc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001592063145 1093972355 /nfs/dbraw/zinc/97/23/55/1093972355.db2.gz ZPKAPFBQJRZGLB-UHFFFAOYSA-N -1 3 342.271 2.784 20 5 EFBDHM Cc1cc([N+](=O)[O-])ccc1OCc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001592068796 1093973465 /nfs/dbraw/zinc/97/34/65/1093973465.db2.gz QLCBXOKMDCDDRH-UHFFFAOYSA-N -1 3 325.328 2.971 20 5 EFBDHM Cc1cc([N+](=O)[O-])ccc1OCc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001592068796 1093973467 /nfs/dbraw/zinc/97/34/67/1093973467.db2.gz QLCBXOKMDCDDRH-UHFFFAOYSA-N -1 3 325.328 2.971 20 5 EFBDHM Cc1cc([N+](=O)[O-])ccc1C=C1C(=O)Nc2cc(-c3nnn[n-]3)ccc21 ZINC001592069011 1093973757 /nfs/dbraw/zinc/97/37/57/1093973757.db2.gz XHYXXRAZSSCFQS-AUWJEWJLSA-N -1 3 348.322 2.576 20 5 EFBDHM Cc1cc([N+](=O)[O-])ccc1C=C1C(=O)Nc2cc(-c3nn[n-]n3)ccc21 ZINC001592069011 1093973760 /nfs/dbraw/zinc/97/37/60/1093973760.db2.gz XHYXXRAZSSCFQS-AUWJEWJLSA-N -1 3 348.322 2.576 20 5 EFBDHM Cc1cc([N+](=O)[O-])ccc1OCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001592068358 1093973843 /nfs/dbraw/zinc/97/38/43/1093973843.db2.gz GEUBWMZUDCLKCW-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1cc([N+](=O)[O-])ccc1OCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001592068358 1093973845 /nfs/dbraw/zinc/97/38/45/1093973845.db2.gz GEUBWMZUDCLKCW-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC001592107488 1093983324 /nfs/dbraw/zinc/98/33/24/1093983324.db2.gz YOFPOPMFXPFIAB-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC001592107488 1093983326 /nfs/dbraw/zinc/98/33/26/1093983326.db2.gz YOFPOPMFXPFIAB-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM Cc1ccc(CSc2ccncc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592168865 1094012107 /nfs/dbraw/zinc/01/21/07/1094012107.db2.gz JIRPECJGODNQRQ-UHFFFAOYSA-N -1 3 328.357 2.771 20 5 EFBDHM Cc1ccc(CSc2ccncc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592168865 1094012110 /nfs/dbraw/zinc/01/21/10/1094012110.db2.gz JIRPECJGODNQRQ-UHFFFAOYSA-N -1 3 328.357 2.771 20 5 EFBDHM Cc1ccc(NC(=O)c2cccc(-c3nnn[n-]3)c2C)cc1[N+](=O)[O-] ZINC001592180520 1094018866 /nfs/dbraw/zinc/01/88/66/1094018866.db2.gz KKMHMBIKXVTGGS-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM Cc1ccc(NC(=O)c2cccc(-c3nn[n-]n3)c2C)cc1[N+](=O)[O-] ZINC001592180520 1094018873 /nfs/dbraw/zinc/01/88/73/1094018873.db2.gz KKMHMBIKXVTGGS-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM Cc1ccc(N[C@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)c([N+](=O)[O-])c1 ZINC001592184273 1094021760 /nfs/dbraw/zinc/02/17/60/1094021760.db2.gz QRBXKTVXBCFRBJ-AWEZNQCLSA-N -1 3 336.355 2.663 20 5 EFBDHM Cc1ccc(N[C@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)c([N+](=O)[O-])c1 ZINC001592184273 1094021767 /nfs/dbraw/zinc/02/17/67/1094021767.db2.gz QRBXKTVXBCFRBJ-AWEZNQCLSA-N -1 3 336.355 2.663 20 5 EFBDHM Cc1ccc(OCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])cc1F ZINC001592190130 1094023449 /nfs/dbraw/zinc/02/34/49/1094023449.db2.gz GBMSBJJRLXMUQU-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1ccc(OCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])cc1F ZINC001592190130 1094023456 /nfs/dbraw/zinc/02/34/56/1094023456.db2.gz GBMSBJJRLXMUQU-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1ccc(OCCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC001592188240 1094023509 /nfs/dbraw/zinc/02/35/09/1094023509.db2.gz OJQQFGDCNJTNBO-UHFFFAOYSA-N -1 3 340.343 2.574 20 5 EFBDHM Cc1ccc(OCCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC001592188240 1094023514 /nfs/dbraw/zinc/02/35/14/1094023514.db2.gz OJQQFGDCNJTNBO-UHFFFAOYSA-N -1 3 340.343 2.574 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(Sc2ccc(-c3nnn[n-]3)c(C)c2)n1 ZINC001592198084 1094026083 /nfs/dbraw/zinc/02/60/83/1094026083.db2.gz WTGWMSFOKOZIRR-UHFFFAOYSA-N -1 3 328.357 2.938 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(Sc2ccc(-c3nn[n-]n3)c(C)c2)n1 ZINC001592198084 1094026090 /nfs/dbraw/zinc/02/60/90/1094026090.db2.gz WTGWMSFOKOZIRR-UHFFFAOYSA-N -1 3 328.357 2.938 20 5 EFBDHM Cc1cccnc1SCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001592264262 1094058078 /nfs/dbraw/zinc/05/80/78/1094058078.db2.gz PZYPIUNXDHVQIY-UHFFFAOYSA-N -1 3 328.357 2.771 20 5 EFBDHM Cc1cccnc1SCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001592264262 1094058087 /nfs/dbraw/zinc/05/80/87/1094058087.db2.gz PZYPIUNXDHVQIY-UHFFFAOYSA-N -1 3 328.357 2.771 20 5 EFBDHM Cc1cccnc1CCCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001592262912 1094058283 /nfs/dbraw/zinc/05/82/83/1094058283.db2.gz CDQCMRUXNMYOGM-UHFFFAOYSA-N -1 3 339.359 2.523 20 5 EFBDHM Cc1cccnc1CCCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001592262912 1094058291 /nfs/dbraw/zinc/05/82/91/1094058291.db2.gz CDQCMRUXNMYOGM-UHFFFAOYSA-N -1 3 339.359 2.523 20 5 EFBDHM Cc1ccsc1CCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001592283968 1094063672 /nfs/dbraw/zinc/06/36/72/1094063672.db2.gz PXHSPYYDBQNNDJ-UHFFFAOYSA-N -1 3 330.373 2.799 20 5 EFBDHM Cc1cnc(OCc2ccc(-c3nnn[n-]3)cc2Cl)c([N+](=O)[O-])c1 ZINC001592293928 1094068923 /nfs/dbraw/zinc/06/89/23/1094068923.db2.gz QBOSVSHVQBHOHZ-UHFFFAOYSA-N -1 3 346.734 2.711 20 5 EFBDHM Cc1cnc(OCc2ccc(-c3nn[n-]n3)cc2Cl)c([N+](=O)[O-])c1 ZINC001592293928 1094068931 /nfs/dbraw/zinc/06/89/31/1094068931.db2.gz QBOSVSHVQBHOHZ-UHFFFAOYSA-N -1 3 346.734 2.711 20 5 EFBDHM Cc1csc(CCCNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)n1 ZINC001592314257 1094073963 /nfs/dbraw/zinc/07/39/63/1094073963.db2.gz JLLZRBDMFHNSBN-UHFFFAOYSA-N -1 3 345.388 2.585 20 5 EFBDHM Cc1csc(Sc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])n1 ZINC001592324074 1094076951 /nfs/dbraw/zinc/07/69/51/1094076951.db2.gz OOAKWFWJFCWQPR-UHFFFAOYSA-N -1 3 338.349 2.830 20 5 EFBDHM Cc1nc(NCc2ccccc2[N+](=O)[O-])c(Cl)cc1-c1nnn[n-]1 ZINC001592395776 1094099493 /nfs/dbraw/zinc/09/94/93/1094099493.db2.gz OUHKECOOTOMUHS-UHFFFAOYSA-N -1 3 345.750 2.744 20 5 EFBDHM Cc1nc(NCc2ccccc2[N+](=O)[O-])c(Cl)cc1-c1nn[n-]n1 ZINC001592395776 1094099499 /nfs/dbraw/zinc/09/94/99/1094099499.db2.gz OUHKECOOTOMUHS-UHFFFAOYSA-N -1 3 345.750 2.744 20 5 EFBDHM Cc1noc(C)c1[C@@H](C)CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001592456019 1094107486 /nfs/dbraw/zinc/10/74/86/1094107486.db2.gz CEBMXLTXPAUPAL-QMMMGPOBSA-N -1 3 343.347 2.595 20 5 EFBDHM Cc1noc(C)c1[C@@H](C)CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001592456019 1094107489 /nfs/dbraw/zinc/10/74/89/1094107489.db2.gz CEBMXLTXPAUPAL-QMMMGPOBSA-N -1 3 343.347 2.595 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(SCc2ccccc2F)c1-c1nnn[n-]1 ZINC001592759311 1094185917 /nfs/dbraw/zinc/18/59/17/1094185917.db2.gz UQHPEONNORTLKE-UHFFFAOYSA-N -1 3 346.347 2.789 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(SCc2ccccc2F)c1-c1nn[n-]n1 ZINC001592759311 1094185919 /nfs/dbraw/zinc/18/59/19/1094185919.db2.gz UQHPEONNORTLKE-UHFFFAOYSA-N -1 3 346.347 2.789 20 5 EFBDHM O=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1F ZINC001593416214 1094307552 /nfs/dbraw/zinc/30/75/52/1094307552.db2.gz OROMTZCWVHLEAV-UHFFFAOYSA-N -1 3 329.247 2.519 20 5 EFBDHM O=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1F ZINC001593416214 1094307559 /nfs/dbraw/zinc/30/75/59/1094307559.db2.gz OROMTZCWVHLEAV-UHFFFAOYSA-N -1 3 329.247 2.519 20 5 EFBDHM O=[N+]([O-])c1c(NCc2ccc(-c3nnn[n-]3)cc2)ccc2cnccc21 ZINC001593468666 1094311837 /nfs/dbraw/zinc/31/18/37/1094311837.db2.gz IBXQWVHXRYWSHM-UHFFFAOYSA-N -1 3 347.338 2.935 20 5 EFBDHM O=[N+]([O-])c1c(NCc2ccc(-c3nn[n-]n3)cc2)ccc2cnccc21 ZINC001593468666 1094311843 /nfs/dbraw/zinc/31/18/43/1094311843.db2.gz IBXQWVHXRYWSHM-UHFFFAOYSA-N -1 3 347.338 2.935 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1Nc1cnn(C2CCC2)c1 ZINC001593467805 1094312577 /nfs/dbraw/zinc/31/25/77/1094312577.db2.gz VWYGBFRAZXHIIL-UHFFFAOYSA-N -1 3 344.310 2.579 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1Nc1cnn(C2CCC2)c1 ZINC001593467805 1094312587 /nfs/dbraw/zinc/31/25/87/1094312587.db2.gz VWYGBFRAZXHIIL-UHFFFAOYSA-N -1 3 344.310 2.579 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NCc1cc2ccccc2o1 ZINC001593470168 1094314329 /nfs/dbraw/zinc/31/43/29/1094314329.db2.gz FWPQLBJDACRMFX-UHFFFAOYSA-N -1 3 337.299 2.528 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NCc1cc2ccccc2o1 ZINC001593470168 1094314339 /nfs/dbraw/zinc/31/43/39/1094314339.db2.gz FWPQLBJDACRMFX-UHFFFAOYSA-N -1 3 337.299 2.528 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CCc2ccc(Cl)cc21 ZINC001593470228 1094315238 /nfs/dbraw/zinc/31/52/38/1094315238.db2.gz KWVBXBQBSHGTHE-UHFFFAOYSA-N -1 3 343.734 2.518 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CCc2ccc(Cl)cc21 ZINC001593470228 1094315240 /nfs/dbraw/zinc/31/52/40/1094315240.db2.gz KWVBXBQBSHGTHE-UHFFFAOYSA-N -1 3 343.734 2.518 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N[C@@H](C1CCC1)C1CCCC1 ZINC001593470640 1094315391 /nfs/dbraw/zinc/31/53/91/1094315391.db2.gz JOYRFKRDBPCMEC-CQSZACIVSA-N -1 3 343.391 2.941 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N[C@@H](C1CCC1)C1CCCC1 ZINC001593470640 1094315402 /nfs/dbraw/zinc/31/54/02/1094315402.db2.gz JOYRFKRDBPCMEC-CQSZACIVSA-N -1 3 343.391 2.941 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCC(F)(F)c1ccccc1 ZINC001593472055 1094315515 /nfs/dbraw/zinc/31/55/15/1094315515.db2.gz YGXXBGYKXUQJBS-UHFFFAOYSA-N -1 3 346.297 2.979 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCC(F)(F)c1ccccc1 ZINC001593472055 1094315524 /nfs/dbraw/zinc/31/55/24/1094315524.db2.gz YGXXBGYKXUQJBS-UHFFFAOYSA-N -1 3 346.297 2.979 20 5 EFBDHM O=[N+]([O-])c1cc(C=Cc2cc(-c3nnn[n-]3)ccn2)ccc1Cl ZINC001593473180 1094315768 /nfs/dbraw/zinc/31/57/68/1094315768.db2.gz OYNLPXGMOYKILW-HNQUOIGGSA-N -1 3 328.719 2.994 20 5 EFBDHM O=[N+]([O-])c1cc(C=Cc2cc(-c3nn[n-]n3)ccn2)ccc1Cl ZINC001593473180 1094315779 /nfs/dbraw/zinc/31/57/79/1094315779.db2.gz OYNLPXGMOYKILW-HNQUOIGGSA-N -1 3 328.719 2.994 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Oc1cnc(Cl)c(F)c1 ZINC001593469716 1094316271 /nfs/dbraw/zinc/31/62/71/1094316271.db2.gz CVCKLPZYPSRISK-UHFFFAOYSA-N -1 3 336.670 2.755 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Oc1cnc(Cl)c(F)c1 ZINC001593469716 1094316279 /nfs/dbraw/zinc/31/62/79/1094316279.db2.gz CVCKLPZYPSRISK-UHFFFAOYSA-N -1 3 336.670 2.755 20 5 EFBDHM O=[N+]([O-])c1cc(NC[C@@H]2CCC3(CCCC3)O2)ccc1-c1nnn[n-]1 ZINC001593473466 1094316720 /nfs/dbraw/zinc/31/67/20/1094316720.db2.gz DHOIFUKDIZHYDE-LBPRGKRZSA-N -1 3 344.375 2.679 20 5 EFBDHM O=[N+]([O-])c1cc(NCc2cccc3cccnc32)ccc1-c1nnn[n-]1 ZINC001593473988 1094317286 /nfs/dbraw/zinc/31/72/86/1094317286.db2.gz MNJPNOSLONCEHH-UHFFFAOYSA-N -1 3 347.338 2.935 20 5 EFBDHM O=[N+]([O-])c1cc2c(nc1Oc1ccc(-c3nnn[n-]3)cc1)CCCC2 ZINC001593474671 1094317644 /nfs/dbraw/zinc/31/76/44/1094317644.db2.gz SIMIKEKPVZDOFK-UHFFFAOYSA-N -1 3 338.327 2.841 20 5 EFBDHM O=[N+]([O-])c1cc2c(nc1Oc1ccc(-c3nn[n-]n3)cc1)CCCC2 ZINC001593474671 1094317655 /nfs/dbraw/zinc/31/76/55/1094317655.db2.gz SIMIKEKPVZDOFK-UHFFFAOYSA-N -1 3 338.327 2.841 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCC[C@@H]1CCC2(CCC2)O1 ZINC001593475176 1094317668 /nfs/dbraw/zinc/31/76/68/1094317668.db2.gz KLDLISYLOMCVPM-LBPRGKRZSA-N -1 3 344.375 2.679 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCC[C@@H]1CCC2(CCC2)O1 ZINC001593475176 1094317677 /nfs/dbraw/zinc/31/76/77/1094317677.db2.gz KLDLISYLOMCVPM-LBPRGKRZSA-N -1 3 344.375 2.679 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1Sc1cccc(Cl)c1 ZINC001593473249 1094318176 /nfs/dbraw/zinc/31/81/76/1094318176.db2.gz SFNLVRQOHRHMIX-UHFFFAOYSA-N -1 3 334.748 2.975 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1Sc1cccc(Cl)c1 ZINC001593473249 1094318183 /nfs/dbraw/zinc/31/81/83/1094318183.db2.gz SFNLVRQOHRHMIX-UHFFFAOYSA-N -1 3 334.748 2.975 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2noc(-c3cc(-c4nnn[n-]4)cs3)n2)s1 ZINC001593474717 1094318610 /nfs/dbraw/zinc/31/86/10/1094318610.db2.gz HOWOJJBNKWHNKY-UHFFFAOYSA-N -1 3 347.341 2.615 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2noc(-c3cc(-c4nn[n-]n4)cs3)n2)s1 ZINC001593474717 1094318616 /nfs/dbraw/zinc/31/86/16/1094318616.db2.gz HOWOJJBNKWHNKY-UHFFFAOYSA-N -1 3 347.341 2.615 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCc1cc(O)ccc1Cl ZINC001593475717 1094319676 /nfs/dbraw/zinc/31/96/76/1094319676.db2.gz SJYNVTPEZOHMID-UHFFFAOYSA-N -1 3 346.734 2.746 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCc1cc(O)ccc1Cl ZINC001593475717 1094319683 /nfs/dbraw/zinc/31/96/83/1094319683.db2.gz SJYNVTPEZOHMID-UHFFFAOYSA-N -1 3 346.734 2.746 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CC3C[C@@H]4CC2C[C@H](C3)C4)c(-c2nnn[n-]2)c1 ZINC001593476416 1094319879 /nfs/dbraw/zinc/31/98/79/1094319879.db2.gz PNGWRSQPLJVCID-KCXRBIIJSA-N -1 3 340.387 2.790 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CC3C[C@@H]4CC2C[C@H](C3)C4)c(-c2nn[n-]n2)c1 ZINC001593476416 1094319890 /nfs/dbraw/zinc/31/98/90/1094319890.db2.gz PNGWRSQPLJVCID-KCXRBIIJSA-N -1 3 340.387 2.790 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCCc1ccc(F)c(F)c1 ZINC001593475726 1094320158 /nfs/dbraw/zinc/32/01/58/1094320158.db2.gz SLNIXQWZHJFSFC-UHFFFAOYSA-N -1 3 346.297 2.708 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCCc1ccc(F)c(F)c1 ZINC001593475726 1094320170 /nfs/dbraw/zinc/32/01/70/1094320170.db2.gz SLNIXQWZHJFSFC-UHFFFAOYSA-N -1 3 346.297 2.708 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CCc2cc(F)c(F)cc21 ZINC001593476636 1094321004 /nfs/dbraw/zinc/32/10/04/1094321004.db2.gz ZOZHFEQFQYDIHH-UHFFFAOYSA-N -1 3 344.281 2.747 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CCc2cc(F)c(F)cc21 ZINC001593476636 1094321011 /nfs/dbraw/zinc/32/10/11/1094321011.db2.gz ZOZHFEQFQYDIHH-UHFFFAOYSA-N -1 3 344.281 2.747 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CC[C@H](C3CCCC3)C2)c(-c2nnn[n-]2)c1 ZINC001593475877 1094321548 /nfs/dbraw/zinc/32/15/48/1094321548.db2.gz FRZQQNMBCYYOPJ-LBPRGKRZSA-N -1 3 328.376 2.791 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CC[C@H](C3CCCC3)C2)c(-c2nn[n-]n2)c1 ZINC001593475877 1094321555 /nfs/dbraw/zinc/32/15/55/1094321555.db2.gz FRZQQNMBCYYOPJ-LBPRGKRZSA-N -1 3 328.376 2.791 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NC1CC(Cl)(Cl)C1 ZINC001593476493 1094321580 /nfs/dbraw/zinc/32/15/80/1094321580.db2.gz XMKKGKRFEQKMRW-UHFFFAOYSA-N -1 3 329.147 2.523 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NC1CC(Cl)(Cl)C1 ZINC001593476493 1094321590 /nfs/dbraw/zinc/32/15/90/1094321590.db2.gz XMKKGKRFEQKMRW-UHFFFAOYSA-N -1 3 329.147 2.523 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CCC[C@@H]3CCCC[C@@H]32)c(-c2nnn[n-]2)c1 ZINC001593479039 1094322927 /nfs/dbraw/zinc/32/29/27/1094322927.db2.gz RUUKTKCQADMXGE-FZMZJTMJSA-N -1 3 328.376 2.934 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CCC[C@@H]3CCCC[C@@H]32)c(-c2nn[n-]n2)c1 ZINC001593479039 1094322934 /nfs/dbraw/zinc/32/29/34/1094322934.db2.gz RUUKTKCQADMXGE-FZMZJTMJSA-N -1 3 328.376 2.934 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC[C@H]1CCC2(CCCC2)O1 ZINC001593480062 1094323781 /nfs/dbraw/zinc/32/37/81/1094323781.db2.gz DNUYZEKYAKFYGC-LLVKDONJSA-N -1 3 344.375 2.679 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NC[C@H]1CCC2(CCCC2)O1 ZINC001593480062 1094323792 /nfs/dbraw/zinc/32/37/92/1094323792.db2.gz DNUYZEKYAKFYGC-LLVKDONJSA-N -1 3 344.375 2.679 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@H]2CCc3ccccc3C2)c(-c2nnn[n-]2)c1 ZINC001593477934 1094324512 /nfs/dbraw/zinc/32/45/12/1094324512.db2.gz KULOZIIJIPHPGK-ZDUSSCGKSA-N -1 3 336.355 2.744 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@H]2CCc3ccccc3C2)c(-c2nn[n-]n2)c1 ZINC001593477934 1094324520 /nfs/dbraw/zinc/32/45/20/1094324520.db2.gz KULOZIIJIPHPGK-ZDUSSCGKSA-N -1 3 336.355 2.744 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCc3ccccc3C2)c(-c2nnn[n-]2)c1 ZINC001593477933 1094324762 /nfs/dbraw/zinc/32/47/62/1094324762.db2.gz KULOZIIJIPHPGK-CYBMUJFWSA-N -1 3 336.355 2.744 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCc3ccccc3C2)c(-c2nn[n-]n2)c1 ZINC001593477933 1094324772 /nfs/dbraw/zinc/32/47/72/1094324772.db2.gz KULOZIIJIPHPGK-CYBMUJFWSA-N -1 3 336.355 2.744 20 5 EFBDHM O=[N+]([O-])c1ccc(NCc2ccc(-c3nnn[n-]3)c(F)c2)c(F)c1 ZINC001593478890 1094324823 /nfs/dbraw/zinc/32/48/23/1094324823.db2.gz OSLNOQYXDUAGRB-UHFFFAOYSA-N -1 3 332.270 2.665 20 5 EFBDHM O=[N+]([O-])c1ccc(NCc2ccc(-c3nn[n-]n3)c(F)c2)c(F)c1 ZINC001593478890 1094324833 /nfs/dbraw/zinc/32/48/33/1094324833.db2.gz OSLNOQYXDUAGRB-UHFFFAOYSA-N -1 3 332.270 2.665 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CC[C@H](c2ccccc2)C1 ZINC001593482299 1094325228 /nfs/dbraw/zinc/32/52/28/1094325228.db2.gz XYVYCLMMCLEOBJ-ZDUSSCGKSA-N -1 3 336.355 2.769 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CC[C@H](c2ccccc2)C1 ZINC001593482299 1094325235 /nfs/dbraw/zinc/32/52/35/1094325235.db2.gz XYVYCLMMCLEOBJ-ZDUSSCGKSA-N -1 3 336.355 2.769 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N[C@@H](C1CCC1)[C@H]1CCCO1 ZINC001593480306 1094325793 /nfs/dbraw/zinc/32/57/93/1094325793.db2.gz IXQZDHLIDQUMQK-KGLIPLIRSA-N -1 3 344.375 2.535 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N[C@@H](C1CCC1)[C@H]1CCCO1 ZINC001593480306 1094325803 /nfs/dbraw/zinc/32/58/03/1094325803.db2.gz IXQZDHLIDQUMQK-KGLIPLIRSA-N -1 3 344.375 2.535 20 5 EFBDHM O=[N+]([O-])c1cccc(F)c1OCc1cc(-c2nnn[n-]2)ccc1F ZINC001593483725 1094325961 /nfs/dbraw/zinc/32/59/61/1094325961.db2.gz FNKBLUCJFZKWFU-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1cccc(F)c1OCc1cc(-c2nn[n-]n2)ccc1F ZINC001593483725 1094325970 /nfs/dbraw/zinc/32/59/70/1094325970.db2.gz FNKBLUCJFZKWFU-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1ccc(OCc2ccc(-c3nnn[n-]3)cc2)c(F)c1F ZINC001593482343 1094326098 /nfs/dbraw/zinc/32/60/98/1094326098.db2.gz PLAMAMSLSHLOKG-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1ccc(OCc2ccc(-c3nn[n-]n3)cc2)c(F)c1F ZINC001593482343 1094326107 /nfs/dbraw/zinc/32/61/07/1094326107.db2.gz PLAMAMSLSHLOKG-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CC(Cc2ccsc2)C1 ZINC001593480264 1094326469 /nfs/dbraw/zinc/32/64/69/1094326469.db2.gz HQJDLXBRUOJSQI-UHFFFAOYSA-N -1 3 342.384 2.515 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CC(Cc2ccsc2)C1 ZINC001593480264 1094326477 /nfs/dbraw/zinc/32/64/77/1094326477.db2.gz HQJDLXBRUOJSQI-UHFFFAOYSA-N -1 3 342.384 2.515 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCCC[C@@H]1CCCCO1 ZINC001593480702 1094326496 /nfs/dbraw/zinc/32/64/96/1094326496.db2.gz MJCYHQGCPOMGBU-NSHDSACASA-N -1 3 332.364 2.536 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCCC[C@@H]1CCCCO1 ZINC001593480702 1094326510 /nfs/dbraw/zinc/32/65/10/1094326510.db2.gz MJCYHQGCPOMGBU-NSHDSACASA-N -1 3 332.364 2.536 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CSc1nccn1C1CC1 ZINC001593480609 1094326689 /nfs/dbraw/zinc/32/66/89/1094326689.db2.gz CJPGGOSOMLTAHL-UHFFFAOYSA-N -1 3 343.372 2.599 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1CSc1nccn1C1CC1 ZINC001593480609 1094326698 /nfs/dbraw/zinc/32/66/98/1094326698.db2.gz CJPGGOSOMLTAHL-UHFFFAOYSA-N -1 3 343.372 2.599 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCCCOC1CCCCC1 ZINC001593481134 1094326803 /nfs/dbraw/zinc/32/68/03/1094326803.db2.gz PCIRCXASAPITOV-UHFFFAOYSA-N -1 3 346.391 2.926 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCCCOC1CCCCC1 ZINC001593481134 1094326811 /nfs/dbraw/zinc/32/68/11/1094326811.db2.gz PCIRCXASAPITOV-UHFFFAOYSA-N -1 3 346.391 2.926 20 5 EFBDHM O=[N+]([O-])c1cnc(N2CC3(CCC3)c3ccccc32)c(-c2nnn[n-]2)c1 ZINC001593486221 1094330228 /nfs/dbraw/zinc/33/02/28/1094330228.db2.gz NKCXCGDHMUTWCJ-UHFFFAOYSA-N -1 3 349.354 2.743 20 5 EFBDHM O=[N+]([O-])c1cnc(N2CC3(CCC3)c3ccccc32)c(-c2nn[n-]n2)c1 ZINC001593486221 1094330239 /nfs/dbraw/zinc/33/02/39/1094330239.db2.gz NKCXCGDHMUTWCJ-UHFFFAOYSA-N -1 3 349.354 2.743 20 5 EFBDHM Cc1c(CN[C@](C)(CC(=O)[O-])c2ccncc2)cccc1[N+](=O)[O-] ZINC001600013454 1094720373 /nfs/dbraw/zinc/72/03/73/1094720373.db2.gz KRPZHJYFZGCYPT-QGZVFWFLSA-N -1 3 329.356 2.778 20 5 EFBDHM Cc1ccc(CNCc2ccc(OCC(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC001600420377 1095053108 /nfs/dbraw/zinc/05/31/08/1095053108.db2.gz VHLZKCWCEPFTIN-UHFFFAOYSA-N -1 3 330.340 2.656 20 5 EFBDHM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1CCN(CC2CC2)C1 ZINC001602299490 1096166060 /nfs/dbraw/zinc/16/60/60/1096166060.db2.gz XFPJVAMFGLHWHD-SNVBAGLBSA-N -1 3 339.779 2.843 20 5 EFBDHM CC(C)(C)N1CC[C@H]1CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001603345287 1096509283 /nfs/dbraw/zinc/50/92/83/1096509283.db2.gz HLHMDRMFCKNMBJ-VGVVRCBHSA-N -1 3 333.388 2.977 20 5 EFBDHM C[C@@](O)(CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CCCCC1 ZINC001603691226 1096591247 /nfs/dbraw/zinc/59/12/47/1096591247.db2.gz WZIVZCHVNFLFPS-MRXNPFEDSA-N -1 3 346.391 2.518 20 5 EFBDHM C[C@@](O)(CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CCCCC1 ZINC001603691226 1096591252 /nfs/dbraw/zinc/59/12/52/1096591252.db2.gz WZIVZCHVNFLFPS-MRXNPFEDSA-N -1 3 346.391 2.518 20 5 EFBDHM C[C@@H](OC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC001603703269 1096594172 /nfs/dbraw/zinc/59/41/72/1096594172.db2.gz RUROFTYAQJBEPM-SNVBAGLBSA-N -1 3 339.311 2.693 20 5 EFBDHM C[C@@H](OC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC001603703269 1096594183 /nfs/dbraw/zinc/59/41/83/1096594183.db2.gz RUROFTYAQJBEPM-SNVBAGLBSA-N -1 3 339.311 2.693 20 5 EFBDHM CC1(C)C[C@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C(C)(C)O1 ZINC001603765226 1096618831 /nfs/dbraw/zinc/61/88/31/1096618831.db2.gz UKEJYTMBXLSYES-LBPRGKRZSA-N -1 3 332.364 2.533 20 5 EFBDHM CC1(C)C[C@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C(C)(C)O1 ZINC001603765226 1096618836 /nfs/dbraw/zinc/61/88/36/1096618836.db2.gz UKEJYTMBXLSYES-LBPRGKRZSA-N -1 3 332.364 2.533 20 5 EFBDHM C[C@@]1(c2ccccc2)C[C@H]1Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001603819524 1096635591 /nfs/dbraw/zinc/63/55/91/1096635591.db2.gz PAOKXERXNJHMKQ-WBVHZDCISA-N -1 3 336.355 2.917 20 5 EFBDHM C[C@@]1(c2ccccc2)C[C@H]1Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001603819524 1096635596 /nfs/dbraw/zinc/63/55/96/1096635596.db2.gz PAOKXERXNJHMKQ-WBVHZDCISA-N -1 3 336.355 2.917 20 5 EFBDHM C[C@H]1CC[C@H](CC(=O)OCc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001603876804 1096652087 /nfs/dbraw/zinc/65/20/87/1096652087.db2.gz PMGCAAFJGIJYTR-QWRGUYRKSA-N -1 3 345.359 2.644 20 5 EFBDHM C[C@H]1CC[C@H](CC(=O)OCc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001603876804 1096652093 /nfs/dbraw/zinc/65/20/93/1096652093.db2.gz PMGCAAFJGIJYTR-QWRGUYRKSA-N -1 3 345.359 2.644 20 5 EFBDHM C[C@@H]1CCC[C@@H](C(=O)OCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001603884139 1096656980 /nfs/dbraw/zinc/65/69/80/1096656980.db2.gz ICRKQZUNQLDEFW-GHMZBOCLSA-N -1 3 345.359 2.644 20 5 EFBDHM C[C@@H]1CCC[C@@H](C(=O)OCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001603884139 1096656983 /nfs/dbraw/zinc/65/69/83/1096656983.db2.gz ICRKQZUNQLDEFW-GHMZBOCLSA-N -1 3 345.359 2.644 20 5 EFBDHM C[C@@H]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001603888609 1096658825 /nfs/dbraw/zinc/65/88/25/1096658825.db2.gz XRRYVIHZVCEUOX-NXEZZACHSA-N -1 3 331.380 2.595 20 5 EFBDHM C[C@@H]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001603888609 1096658828 /nfs/dbraw/zinc/65/88/28/1096658828.db2.gz XRRYVIHZVCEUOX-NXEZZACHSA-N -1 3 331.380 2.595 20 5 EFBDHM C[C@H]1CCCC[C@@H]1OCCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001603891366 1096661547 /nfs/dbraw/zinc/66/15/47/1096661547.db2.gz RJVOEETUOWBWFZ-NHYWBVRUSA-N -1 3 346.391 2.782 20 5 EFBDHM C[C@H]1CCCC[C@@H]1OCCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001603891366 1096661550 /nfs/dbraw/zinc/66/15/50/1096661550.db2.gz RJVOEETUOWBWFZ-NHYWBVRUSA-N -1 3 346.391 2.782 20 5 EFBDHM C[C@H]1CCN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC12CCC2 ZINC001603912505 1096668195 /nfs/dbraw/zinc/66/81/95/1096668195.db2.gz RUXFMTNTZKNQHB-NSHDSACASA-N -1 3 328.376 2.791 20 5 EFBDHM C[C@H]1CCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC12CCC2 ZINC001603912505 1096668199 /nfs/dbraw/zinc/66/81/99/1096668199.db2.gz RUXFMTNTZKNQHB-NSHDSACASA-N -1 3 328.376 2.791 20 5 EFBDHM C[C@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])Cc2ccccc21 ZINC001603940158 1096676014 /nfs/dbraw/zinc/67/60/14/1096676014.db2.gz RDFNPJKWHXMQTM-NSHDSACASA-N -1 3 336.355 2.899 20 5 EFBDHM C[C@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])Cc2ccccc21 ZINC001603940158 1096676016 /nfs/dbraw/zinc/67/60/16/1096676016.db2.gz RDFNPJKWHXMQTM-NSHDSACASA-N -1 3 336.355 2.899 20 5 EFBDHM CC[C@](C)(NCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(F)(F)F ZINC001603987582 1096688505 /nfs/dbraw/zinc/68/85/05/1096688505.db2.gz QYZBDESSAFYMLI-LBPRGKRZSA-N -1 3 344.297 2.596 20 5 EFBDHM CC[C@](C)(NCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(F)(F)F ZINC001603987582 1096688509 /nfs/dbraw/zinc/68/85/09/1096688509.db2.gz QYZBDESSAFYMLI-LBPRGKRZSA-N -1 3 344.297 2.596 20 5 EFBDHM CC/C(C)=C(\C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603991313 1096689978 /nfs/dbraw/zinc/68/99/78/1096689978.db2.gz XLZBKOCSPCAQNN-MDZDMXLPSA-N -1 3 331.332 2.565 20 5 EFBDHM CC/C(C)=C(\C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603991313 1096689979 /nfs/dbraw/zinc/68/99/79/1096689979.db2.gz XLZBKOCSPCAQNN-MDZDMXLPSA-N -1 3 331.332 2.565 20 5 EFBDHM CC/C(C)=C(/C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603991311 1096690021 /nfs/dbraw/zinc/69/00/21/1096690021.db2.gz XLZBKOCSPCAQNN-KTKRTIGZSA-N -1 3 331.332 2.565 20 5 EFBDHM CC/C(C)=C(/C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603991311 1096690023 /nfs/dbraw/zinc/69/00/23/1096690023.db2.gz XLZBKOCSPCAQNN-KTKRTIGZSA-N -1 3 331.332 2.565 20 5 EFBDHM CC[C@@H](C)[C@@H](CNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1)OC ZINC001604000271 1096691901 /nfs/dbraw/zinc/69/19/01/1096691901.db2.gz OPPOYGUERDNTKW-YMTOWFKASA-N -1 3 334.380 2.556 20 5 EFBDHM CC[C@@H](C)[C@@H](CNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1)OC ZINC001604000271 1096691903 /nfs/dbraw/zinc/69/19/03/1096691903.db2.gz OPPOYGUERDNTKW-YMTOWFKASA-N -1 3 334.380 2.556 20 5 EFBDHM CCC1(CC)[C@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C[C@@H]1OC ZINC001604085131 1096725838 /nfs/dbraw/zinc/72/58/38/1096725838.db2.gz FWBDESSPOVOMSV-KGLIPLIRSA-N -1 3 346.391 2.781 20 5 EFBDHM CCC1(CC)[C@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C[C@@H]1OC ZINC001604085131 1096725840 /nfs/dbraw/zinc/72/58/40/1096725840.db2.gz FWBDESSPOVOMSV-KGLIPLIRSA-N -1 3 346.391 2.781 20 5 EFBDHM CCC1(CC)[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H]1OC ZINC001604086133 1096727898 /nfs/dbraw/zinc/72/78/98/1096727898.db2.gz PATTVQRWISRHPQ-KGLIPLIRSA-N -1 3 346.391 2.781 20 5 EFBDHM CCC1(CC)[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@@H]1OC ZINC001604086133 1096727901 /nfs/dbraw/zinc/72/79/01/1096727901.db2.gz PATTVQRWISRHPQ-KGLIPLIRSA-N -1 3 346.391 2.781 20 5 EFBDHM CCC[C@@H]1CCCN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001604153549 1096754002 /nfs/dbraw/zinc/75/40/02/1096754002.db2.gz UNDPTLHFCPKTBY-SNVBAGLBSA-N -1 3 334.355 2.931 20 5 EFBDHM CCC[C@@H]1CCCN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001604153549 1096754005 /nfs/dbraw/zinc/75/40/05/1096754005.db2.gz UNDPTLHFCPKTBY-SNVBAGLBSA-N -1 3 334.355 2.931 20 5 EFBDHM CCOc1ccc(OCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])cc1 ZINC001604463379 1096868189 /nfs/dbraw/zinc/86/81/89/1096868189.db2.gz WUQYPVPJFLDEOO-UHFFFAOYSA-N -1 3 341.327 2.753 20 5 EFBDHM CCOc1ccc(OCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])cc1 ZINC001604463379 1096868197 /nfs/dbraw/zinc/86/81/97/1096868197.db2.gz WUQYPVPJFLDEOO-UHFFFAOYSA-N -1 3 341.327 2.753 20 5 EFBDHM CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001604528545 1096893906 /nfs/dbraw/zinc/89/39/06/1096893906.db2.gz SIDBZUIGODLPBK-UHFFFAOYSA-N -1 3 338.327 2.590 20 5 EFBDHM CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001604528545 1096893915 /nfs/dbraw/zinc/89/39/15/1096893915.db2.gz SIDBZUIGODLPBK-UHFFFAOYSA-N -1 3 338.327 2.590 20 5 EFBDHM CN(Cc1cc(F)cc(F)c1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001604801065 1096958712 /nfs/dbraw/zinc/95/87/12/1096958712.db2.gz UVFRAZQMKXSHAJ-UHFFFAOYSA-N -1 3 346.297 2.690 20 5 EFBDHM CN(Cc1cc(F)cc(F)c1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001604801065 1096958719 /nfs/dbraw/zinc/95/87/19/1096958719.db2.gz UVFRAZQMKXSHAJ-UHFFFAOYSA-N -1 3 346.297 2.690 20 5 EFBDHM CN(Cc1ccc(F)cc1F)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604809037 1096962346 /nfs/dbraw/zinc/96/23/46/1096962346.db2.gz BBYHYWMSRRDRKP-UHFFFAOYSA-N -1 3 346.297 2.690 20 5 EFBDHM CN(Cc1ccc(F)cc1F)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604809037 1096962353 /nfs/dbraw/zinc/96/23/53/1096962353.db2.gz BBYHYWMSRRDRKP-UHFFFAOYSA-N -1 3 346.297 2.690 20 5 EFBDHM CN(Cc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604809823 1096962423 /nfs/dbraw/zinc/96/24/23/1096962423.db2.gz YFGVCUUQKWQDQG-UHFFFAOYSA-N -1 3 328.307 2.550 20 5 EFBDHM CN(Cc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604809823 1096962430 /nfs/dbraw/zinc/96/24/30/1096962430.db2.gz YFGVCUUQKWQDQG-UHFFFAOYSA-N -1 3 328.307 2.550 20 5 EFBDHM CO[C@H](CNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1)C1CCCC1 ZINC001605008121 1096998398 /nfs/dbraw/zinc/99/83/98/1096998398.db2.gz FXFRNGBPMDWLKE-OAHLLOKOSA-N -1 3 346.391 2.700 20 5 EFBDHM CO[C@H](CNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1)C1CCCC1 ZINC001605008121 1096998404 /nfs/dbraw/zinc/99/84/04/1096998404.db2.gz FXFRNGBPMDWLKE-OAHLLOKOSA-N -1 3 346.391 2.700 20 5 EFBDHM COc1cc(CNc2ccc([N+](=O)[O-])cc2C)ccc1-c1nnn[n-]1 ZINC001605220046 1097057733 /nfs/dbraw/zinc/05/77/33/1097057733.db2.gz MVYBYUQSPFZGTH-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM COc1cc(CNc2ccc([N+](=O)[O-])cc2C)ccc1-c1nn[n-]n1 ZINC001605220046 1097057738 /nfs/dbraw/zinc/05/77/38/1097057738.db2.gz MVYBYUQSPFZGTH-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM CS[C@@H]1CCC[C@@H](Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001605370010 1097106970 /nfs/dbraw/zinc/10/69/70/1097106970.db2.gz CTSNREVCKRLAKS-NXEZZACHSA-N -1 3 334.405 2.861 20 5 EFBDHM CS[C@@H]1CCC[C@@H](Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001605370010 1097106974 /nfs/dbraw/zinc/10/69/74/1097106974.db2.gz CTSNREVCKRLAKS-NXEZZACHSA-N -1 3 334.405 2.861 20 5 EFBDHM CSCCCSc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605374323 1097109567 /nfs/dbraw/zinc/10/95/67/1097109567.db2.gz CHBYFAPJTUIKIA-UHFFFAOYSA-N -1 3 329.382 2.759 20 5 EFBDHM C[C@@H](CC1CCCCC1)Nc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605393937 1097115976 /nfs/dbraw/zinc/11/59/76/1097115976.db2.gz YPZHTNOQOKBYRD-JTQLQIEISA-N -1 3 331.380 2.941 20 5 EFBDHM C[C@@H](CC1CCCCC1)Nc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605393937 1097115977 /nfs/dbraw/zinc/11/59/77/1097115977.db2.gz YPZHTNOQOKBYRD-JTQLQIEISA-N -1 3 331.380 2.941 20 5 EFBDHM Cc1c([N+](=O)[O-])ccc(F)c1NCc1ccc(-c2nnn[n-]2)cc1F ZINC001605499658 1097139432 /nfs/dbraw/zinc/13/94/32/1097139432.db2.gz WGYKYJAMOBWQCQ-UHFFFAOYSA-N -1 3 346.297 2.974 20 5 EFBDHM Cc1c([N+](=O)[O-])ccc(F)c1NCc1ccc(-c2nn[n-]n2)cc1F ZINC001605499658 1097139434 /nfs/dbraw/zinc/13/94/34/1097139434.db2.gz WGYKYJAMOBWQCQ-UHFFFAOYSA-N -1 3 346.297 2.974 20 5 EFBDHM Cc1cc(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])ccc1F ZINC001605661204 1097182074 /nfs/dbraw/zinc/18/20/74/1097182074.db2.gz QQCVZZUZEHGKDB-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM Cc1cc(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])ccc1F ZINC001605661204 1097182079 /nfs/dbraw/zinc/18/20/79/1097182079.db2.gz QQCVZZUZEHGKDB-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM Cc1cc(NC[C@@H](C)c2ccccn2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605727203 1097209000 /nfs/dbraw/zinc/20/90/00/1097209000.db2.gz UQRZDRHRTWTHDZ-LLVKDONJSA-N -1 3 339.359 2.694 20 5 EFBDHM Cc1cc(NC[C@@H](C)c2ccccn2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605727203 1097209006 /nfs/dbraw/zinc/20/90/06/1097209006.db2.gz UQRZDRHRTWTHDZ-LLVKDONJSA-N -1 3 339.359 2.694 20 5 EFBDHM Cc1cc(NCCc2ccc(F)cc2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605737694 1097210900 /nfs/dbraw/zinc/21/09/00/1097210900.db2.gz NRZFCXHEBHDOIS-UHFFFAOYSA-N -1 3 342.334 2.877 20 5 EFBDHM Cc1cc(NCCc2ccc(F)cc2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605737694 1097210905 /nfs/dbraw/zinc/21/09/05/1097210905.db2.gz NRZFCXHEBHDOIS-UHFFFAOYSA-N -1 3 342.334 2.877 20 5 EFBDHM Cc1cc(NCc2cc(F)ccc2F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605739204 1097211586 /nfs/dbraw/zinc/21/15/86/1097211586.db2.gz BHFMVSRPJXPTAT-UHFFFAOYSA-N -1 3 346.297 2.974 20 5 EFBDHM Cc1cc(NCc2cc(F)ccc2F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605739204 1097211591 /nfs/dbraw/zinc/21/15/91/1097211591.db2.gz BHFMVSRPJXPTAT-UHFFFAOYSA-N -1 3 346.297 2.974 20 5 EFBDHM Cc1cc(OCc2cc(-c3nnn[n-]3)ccc2F)c(F)cc1[N+](=O)[O-] ZINC001605747038 1097215093 /nfs/dbraw/zinc/21/50/93/1097215093.db2.gz AJSYSLFGKVIGEW-UHFFFAOYSA-N -1 3 347.281 2.941 20 5 EFBDHM Cc1cc(OCc2cc(-c3nn[n-]n3)ccc2F)c(F)cc1[N+](=O)[O-] ZINC001605747038 1097215097 /nfs/dbraw/zinc/21/50/97/1097215097.db2.gz AJSYSLFGKVIGEW-UHFFFAOYSA-N -1 3 347.281 2.941 20 5 EFBDHM Cc1cc(OCc2ccc(-c3nnn[n-]3)c(F)c2)ccc1[N+](=O)[O-] ZINC001605747042 1097215487 /nfs/dbraw/zinc/21/54/87/1097215487.db2.gz AMCMTFRRPOCQJX-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1cc(OCc2ccc(-c3nn[n-]n3)c(F)c2)ccc1[N+](=O)[O-] ZINC001605747042 1097215493 /nfs/dbraw/zinc/21/54/93/1097215493.db2.gz AMCMTFRRPOCQJX-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1cc([N+](=O)[O-])ccc1CNc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001605755452 1097216748 /nfs/dbraw/zinc/21/67/48/1097216748.db2.gz KQFYBCYMUCLTOZ-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM Cc1cc([N+](=O)[O-])ccc1CNc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001605755452 1097216753 /nfs/dbraw/zinc/21/67/53/1097216753.db2.gz KQFYBCYMUCLTOZ-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM Cc1ccc(C)c(Sc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001605832198 1097243249 /nfs/dbraw/zinc/24/32/49/1097243249.db2.gz PXHVRWBPCXMFIE-UHFFFAOYSA-N -1 3 328.357 2.938 20 5 EFBDHM Cc1ccc(C)c(Sc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001605832198 1097243255 /nfs/dbraw/zinc/24/32/55/1097243255.db2.gz PXHVRWBPCXMFIE-UHFFFAOYSA-N -1 3 328.357 2.938 20 5 EFBDHM Cc1ccc(C(=O)Oc2cccc([N+](=O)[O-])c2C)cc1-c1nnn[n-]1 ZINC001605838150 1097246126 /nfs/dbraw/zinc/24/61/26/1097246126.db2.gz CEXGGDDRXQRGQP-UHFFFAOYSA-N -1 3 339.311 2.611 20 5 EFBDHM Cc1ccc(C(=O)Oc2cccc([N+](=O)[O-])c2C)cc1-c1nn[n-]n1 ZINC001605838150 1097246130 /nfs/dbraw/zinc/24/61/30/1097246130.db2.gz CEXGGDDRXQRGQP-UHFFFAOYSA-N -1 3 339.311 2.611 20 5 EFBDHM Cc1ccc(COc2c(Cl)cncc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001605858201 1097255798 /nfs/dbraw/zinc/25/57/98/1097255798.db2.gz AHWOLWPXYJMBCO-UHFFFAOYSA-N -1 3 346.734 2.711 20 5 EFBDHM Cc1ccc(COc2c(Cl)cncc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001605858201 1097255801 /nfs/dbraw/zinc/25/58/01/1097255801.db2.gz AHWOLWPXYJMBCO-UHFFFAOYSA-N -1 3 346.734 2.711 20 5 EFBDHM Cc1ccc(OCCNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])cc1 ZINC001605876525 1097263081 /nfs/dbraw/zinc/26/30/81/1097263081.db2.gz MEUOFUIVFPLWRU-UHFFFAOYSA-N -1 3 340.343 2.574 20 5 EFBDHM Cc1ccc(OCCNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])cc1 ZINC001605876525 1097263085 /nfs/dbraw/zinc/26/30/85/1097263085.db2.gz MEUOFUIVFPLWRU-UHFFFAOYSA-N -1 3 340.343 2.574 20 5 EFBDHM Cc1ccc(OCCc2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])c1 ZINC001605879268 1097263406 /nfs/dbraw/zinc/26/34/06/1097263406.db2.gz JUEPYYUDDLIURH-UHFFFAOYSA-N -1 3 325.328 2.705 20 5 EFBDHM Cc1ccc(OCCc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC001605879268 1097263413 /nfs/dbraw/zinc/26/34/13/1097263413.db2.gz JUEPYYUDDLIURH-UHFFFAOYSA-N -1 3 325.328 2.705 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC001605884618 1097265188 /nfs/dbraw/zinc/26/51/88/1097265188.db2.gz QWYKHAQFCVQHET-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC001605884618 1097265195 /nfs/dbraw/zinc/26/51/95/1097265195.db2.gz QWYKHAQFCVQHET-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM Cc1cccc(OCCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC001605923478 1097278136 /nfs/dbraw/zinc/27/81/36/1097278136.db2.gz LOSGWIKOBWERDI-UHFFFAOYSA-N -1 3 340.343 2.574 20 5 EFBDHM Cc1cccc(OCCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC001605923478 1097278139 /nfs/dbraw/zinc/27/81/39/1097278139.db2.gz LOSGWIKOBWERDI-UHFFFAOYSA-N -1 3 340.343 2.574 20 5 EFBDHM Cc1cccnc1[C@H](C)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001605946661 1097284068 /nfs/dbraw/zinc/28/40/68/1097284068.db2.gz YYPZWRCTPZLWAQ-JTQLQIEISA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1cccnc1[C@H](C)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001605946661 1097284072 /nfs/dbraw/zinc/28/40/72/1097284072.db2.gz YYPZWRCTPZLWAQ-JTQLQIEISA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1cccnc1CCCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001605947825 1097285056 /nfs/dbraw/zinc/28/50/56/1097285056.db2.gz ZTNCTZSLEGERSF-UHFFFAOYSA-N -1 3 339.359 2.523 20 5 EFBDHM Cc1cccnc1CCCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001605947825 1097285059 /nfs/dbraw/zinc/28/50/59/1097285059.db2.gz ZTNCTZSLEGERSF-UHFFFAOYSA-N -1 3 339.359 2.523 20 5 EFBDHM Cc1ccsc1CCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001605969106 1097289030 /nfs/dbraw/zinc/28/90/30/1097289030.db2.gz ZLSMKLCVEWKRAL-UHFFFAOYSA-N -1 3 330.373 2.799 20 5 EFBDHM Cc1ccsc1CCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001605969106 1097289035 /nfs/dbraw/zinc/28/90/35/1097289035.db2.gz ZLSMKLCVEWKRAL-UHFFFAOYSA-N -1 3 330.373 2.799 20 5 EFBDHM Cc1nc(N[C@@H](C)c2ccccc2[N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001606076295 1097312384 /nfs/dbraw/zinc/31/23/84/1097312384.db2.gz COVCVBPSQDOSEY-VIFPVBQESA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1nc(N[C@@H](C)c2ccccc2[N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001606076295 1097312389 /nfs/dbraw/zinc/31/23/89/1097312389.db2.gz COVCVBPSQDOSEY-VIFPVBQESA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1nc(NCc2cc([N+](=O)[O-])ccc2Cl)ccc1-c1nnn[n-]1 ZINC001606075849 1097313399 /nfs/dbraw/zinc/31/33/99/1097313399.db2.gz DLGZSFYNNULTQI-UHFFFAOYSA-N -1 3 345.750 2.744 20 5 EFBDHM Cc1nc(NCc2cc([N+](=O)[O-])ccc2Cl)ccc1-c1nn[n-]n1 ZINC001606075849 1097313403 /nfs/dbraw/zinc/31/34/03/1097313403.db2.gz DLGZSFYNNULTQI-UHFFFAOYSA-N -1 3 345.750 2.744 20 5 EFBDHM Cc1nc(Sc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])sc1C ZINC001606080072 1097314084 /nfs/dbraw/zinc/31/40/84/1097314084.db2.gz ZSDDNYKTHXERKL-UHFFFAOYSA-N -1 3 334.386 2.999 20 5 EFBDHM Cc1nc(Sc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])sc1C ZINC001606080072 1097314088 /nfs/dbraw/zinc/31/40/88/1097314088.db2.gz ZSDDNYKTHXERKL-UHFFFAOYSA-N -1 3 334.386 2.999 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N[C@H]1CCCC(F)(F)C1 ZINC001607077442 1097505419 /nfs/dbraw/zinc/50/54/19/1097505419.db2.gz NATDJGNUOXIMDO-ZETCQYMHSA-N -1 3 342.281 2.904 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N[C@H]1CCCC(F)(F)C1 ZINC001607077442 1097505426 /nfs/dbraw/zinc/50/54/26/1097505426.db2.gz NATDJGNUOXIMDO-ZETCQYMHSA-N -1 3 342.281 2.904 20 5 EFBDHM O=[N+]([O-])c1cc(NCCC[C@H]2CCCC[C@H]2O)ccc1-c1nnn[n-]1 ZINC001607078861 1097506250 /nfs/dbraw/zinc/50/62/50/1097506250.db2.gz ATPAMXIVMXBNPU-IAQYHMDHSA-N -1 3 346.391 2.518 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1Oc1cccc2c1CCCC2 ZINC001607078752 1097507387 /nfs/dbraw/zinc/50/73/87/1097507387.db2.gz KNPXFSISDHQMDF-UHFFFAOYSA-N -1 3 338.327 2.841 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1Oc1cccc2c1CCCC2 ZINC001607078752 1097507393 /nfs/dbraw/zinc/50/73/93/1097507393.db2.gz KNPXFSISDHQMDF-UHFFFAOYSA-N -1 3 338.327 2.841 20 5 EFBDHM O=[N+]([O-])c1cc2ccccc2nc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC001607079647 1097507427 /nfs/dbraw/zinc/50/74/27/1097507427.db2.gz KIAWOYAXOLXMDK-UHFFFAOYSA-N -1 3 347.338 2.935 20 5 EFBDHM O=[N+]([O-])c1cc2ccccc2nc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC001607079647 1097507430 /nfs/dbraw/zinc/50/74/30/1097507430.db2.gz KIAWOYAXOLXMDK-UHFFFAOYSA-N -1 3 347.338 2.935 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001607082744 1097507844 /nfs/dbraw/zinc/50/78/44/1097507844.db2.gz RCMXSFOKQOLIQS-BBBLOLIVSA-N -1 3 336.302 2.621 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001607082744 1097507849 /nfs/dbraw/zinc/50/78/49/1097507849.db2.gz RCMXSFOKQOLIQS-BBBLOLIVSA-N -1 3 336.302 2.621 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H](CO)CC1CCCCC1 ZINC001607080630 1097507986 /nfs/dbraw/zinc/50/79/86/1097507986.db2.gz VUCMZHVSLREBFD-CYBMUJFWSA-N -1 3 346.391 2.518 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H](CO)CC1CCCCC1 ZINC001607080630 1097507990 /nfs/dbraw/zinc/50/79/90/1097507990.db2.gz VUCMZHVSLREBFD-CYBMUJFWSA-N -1 3 346.391 2.518 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1C[C@H]1c1ccccc1F ZINC001607080198 1097508194 /nfs/dbraw/zinc/50/81/94/1097508194.db2.gz JCLHISNHEDDZCZ-SMDDNHRTSA-N -1 3 340.318 2.882 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1C[C@H]1c1ccccc1F ZINC001607080198 1097508198 /nfs/dbraw/zinc/50/81/98/1097508198.db2.gz JCLHISNHEDDZCZ-SMDDNHRTSA-N -1 3 340.318 2.882 20 5 EFBDHM O=[N+]([O-])c1ccc(NCC(F)(F)c2ccccc2)c(-c2nnn[n-]2)c1 ZINC001607081321 1097508250 /nfs/dbraw/zinc/50/82/50/1097508250.db2.gz ARZMYROKHDACQX-UHFFFAOYSA-N -1 3 346.297 2.979 20 5 EFBDHM O=[N+]([O-])c1ccc(NCC(F)(F)c2ccccc2)c(-c2nn[n-]n2)c1 ZINC001607081321 1097508258 /nfs/dbraw/zinc/50/82/58/1097508258.db2.gz ARZMYROKHDACQX-UHFFFAOYSA-N -1 3 346.297 2.979 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Sc1ccc2n[nH]cc2c1 ZINC001607080913 1097509102 /nfs/dbraw/zinc/50/91/02/1097509102.db2.gz UQXZSQMILSYRGX-UHFFFAOYSA-N -1 3 339.340 2.802 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Sc1ccc2n[nH]cc2c1 ZINC001607080913 1097509105 /nfs/dbraw/zinc/50/91/05/1097509105.db2.gz UQXZSQMILSYRGX-UHFFFAOYSA-N -1 3 339.340 2.802 20 5 EFBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3[C@@H]4CCC[C@@H]43)cc(-c3nnn[n-]3)c2c1 ZINC001607083550 1097510105 /nfs/dbraw/zinc/51/01/05/1097510105.db2.gz JXMVBAOCVAWFFZ-KEODLESXSA-N -1 3 337.343 2.534 20 5 EFBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3[C@@H]4CCC[C@@H]43)cc(-c3nn[n-]n3)c2c1 ZINC001607083550 1097510110 /nfs/dbraw/zinc/51/01/10/1097510110.db2.gz JXMVBAOCVAWFFZ-KEODLESXSA-N -1 3 337.343 2.534 20 5 EFBDHM O=C([O-])c1ccccc1CCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001608945975 1098086298 /nfs/dbraw/zinc/08/62/98/1098086298.db2.gz AEURAYFUYVDSQB-UHFFFAOYSA-N -1 3 341.323 2.767 20 5 EFBDHM CC(C)(CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])c1cccnc1 ZINC001609084287 1098136967 /nfs/dbraw/zinc/13/69/67/1098136967.db2.gz SCSVWLHXCRNYTA-UHFFFAOYSA-N -1 3 339.359 2.560 20 5 EFBDHM CC(C)(CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])c1cccnc1 ZINC001609084287 1098136970 /nfs/dbraw/zinc/13/69/70/1098136970.db2.gz SCSVWLHXCRNYTA-UHFFFAOYSA-N -1 3 339.359 2.560 20 5 EFBDHM CC(C)[C@H]1C[C@@H](CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CCO1 ZINC001609092054 1098139570 /nfs/dbraw/zinc/13/95/70/1098139570.db2.gz YTSPBVHBNPRDOJ-XHDPSFHLSA-N -1 3 346.391 2.638 20 5 EFBDHM C[C@H]1CC(CCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC001609156399 1098172495 /nfs/dbraw/zinc/17/24/95/1098172495.db2.gz HMKSKGHEGOPYPC-QWRGUYRKSA-N -1 3 346.391 2.781 20 5 EFBDHM C[C@H]1CC(CCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC001609156399 1098172496 /nfs/dbraw/zinc/17/24/96/1098172496.db2.gz HMKSKGHEGOPYPC-QWRGUYRKSA-N -1 3 346.391 2.781 20 5 EFBDHM C[C@H]1CC[C@H]1Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001609162926 1098175762 /nfs/dbraw/zinc/17/57/62/1098175762.db2.gz NUAOAXJRMIJYIS-QPUJVOFHSA-N -1 3 325.332 2.534 20 5 EFBDHM C[C@H]1CC[C@H]1Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001609162926 1098175764 /nfs/dbraw/zinc/17/57/64/1098175764.db2.gz NUAOAXJRMIJYIS-QPUJVOFHSA-N -1 3 325.332 2.534 20 5 EFBDHM C[C@H]1Oc2ccccc2[C@H]1Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609179521 1098184418 /nfs/dbraw/zinc/18/44/18/1098184418.db2.gz SXDAHBJISGMMGV-PSLIRLAXSA-N -1 3 338.327 2.709 20 5 EFBDHM C[C@H]1c2ccsc2CCN1c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609180231 1098184992 /nfs/dbraw/zinc/18/49/92/1098184992.db2.gz IGPBLIGHOSPJAT-VIFPVBQESA-N -1 3 342.384 2.960 20 5 EFBDHM CC[C@H](C)n1nc(Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)cc1C ZINC001609187365 1098187034 /nfs/dbraw/zinc/18/70/34/1098187034.db2.gz BQCRHOAWLKSUSL-VIFPVBQESA-N -1 3 342.363 2.994 20 5 EFBDHM CC[C@@H](C)CC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC001609185618 1098187555 /nfs/dbraw/zinc/18/75/55/1098187555.db2.gz KSZHZUAVAISKTK-SSDOTTSWSA-N -1 3 338.755 2.803 20 5 EFBDHM CC[C@@H](C)CC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC001609185618 1098187559 /nfs/dbraw/zinc/18/75/59/1098187559.db2.gz KSZHZUAVAISKTK-SSDOTTSWSA-N -1 3 338.755 2.803 20 5 EFBDHM CC[C@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)C(F)F ZINC001609194727 1098193265 /nfs/dbraw/zinc/19/32/65/1098193265.db2.gz LZEVPALZFDYQCV-JTQLQIEISA-N -1 3 349.301 2.779 20 5 EFBDHM CC[C@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)C(F)F ZINC001609194727 1098193268 /nfs/dbraw/zinc/19/32/68/1098193268.db2.gz LZEVPALZFDYQCV-JTQLQIEISA-N -1 3 349.301 2.779 20 5 EFBDHM CCOCCC1(CNc2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001609240163 1098218063 /nfs/dbraw/zinc/21/80/63/1098218063.db2.gz ODCWTCJDGLPLQR-UHFFFAOYSA-N -1 3 346.391 2.702 20 5 EFBDHM CCOCCC1(CNc2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001609240163 1098218066 /nfs/dbraw/zinc/21/80/66/1098218066.db2.gz ODCWTCJDGLPLQR-UHFFFAOYSA-N -1 3 346.391 2.702 20 5 EFBDHM CCOc1cccc(NCc2ccc(-c3nnn[n-]3)cc2)c1[N+](=O)[O-] ZINC001609246321 1098219521 /nfs/dbraw/zinc/21/95/21/1098219521.db2.gz VMVCXBNTMBRCHV-UHFFFAOYSA-N -1 3 340.343 2.786 20 5 EFBDHM CCOc1cccc(NCc2ccc(-c3nn[n-]n3)cc2)c1[N+](=O)[O-] ZINC001609246321 1098219528 /nfs/dbraw/zinc/21/95/28/1098219528.db2.gz VMVCXBNTMBRCHV-UHFFFAOYSA-N -1 3 340.343 2.786 20 5 EFBDHM CN(Cc1ccc(F)cc1)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001609279191 1098235077 /nfs/dbraw/zinc/23/50/77/1098235077.db2.gz VHGYHBJEOZVMSZ-UHFFFAOYSA-N -1 3 328.307 2.550 20 5 EFBDHM CN(Cc1ccc(F)cc1)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001609279191 1098235082 /nfs/dbraw/zinc/23/50/82/1098235082.db2.gz VHGYHBJEOZVMSZ-UHFFFAOYSA-N -1 3 328.307 2.550 20 5 EFBDHM COc1ccc([C@@H](C)Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)cc1 ZINC001609352567 1098262043 /nfs/dbraw/zinc/26/20/43/1098262043.db2.gz HUVNRFRLZGYVOM-SNVBAGLBSA-N -1 3 340.343 2.957 20 5 EFBDHM Cc1cc(F)ccc1CN(C)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001609404078 1098292752 /nfs/dbraw/zinc/29/27/52/1098292752.db2.gz AOPBELINRJKIOI-UHFFFAOYSA-N -1 3 342.334 2.859 20 5 EFBDHM Cc1cc(F)ccc1CN(C)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001609404078 1098292755 /nfs/dbraw/zinc/29/27/55/1098292755.db2.gz AOPBELINRJKIOI-UHFFFAOYSA-N -1 3 342.334 2.859 20 5 EFBDHM Cc1cc(COc2ccc(F)cc2[N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001609402995 1098293368 /nfs/dbraw/zinc/29/33/68/1098293368.db2.gz YHMZCGSOKRTCOW-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1cc(COc2ccc(F)cc2[N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001609402995 1098293372 /nfs/dbraw/zinc/29/33/72/1098293372.db2.gz YHMZCGSOKRTCOW-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1nn(Cc2ccc(-c3nnn[n-]3)c(C)c2)c2ccc([N+](=O)[O-])cc12 ZINC001609404045 1098293563 /nfs/dbraw/zinc/29/35/63/1098293563.db2.gz YKCDJUIUGMTJKU-UHFFFAOYSA-N -1 3 349.354 2.790 20 5 EFBDHM Cc1nn(Cc2ccc(-c3nn[n-]n3)c(C)c2)c2ccc([N+](=O)[O-])cc12 ZINC001609404045 1098293565 /nfs/dbraw/zinc/29/35/65/1098293565.db2.gz YKCDJUIUGMTJKU-UHFFFAOYSA-N -1 3 349.354 2.790 20 5 EFBDHM Cc1cc(CSc2ccc([N+](=O)[O-])cn2)ccc1-c1nnn[n-]1 ZINC001609403057 1098293591 /nfs/dbraw/zinc/29/35/91/1098293591.db2.gz MQHWVMBGKCCEJG-UHFFFAOYSA-N -1 3 328.357 2.771 20 5 EFBDHM Cc1cc(CSc2ccc([N+](=O)[O-])cn2)ccc1-c1nn[n-]n1 ZINC001609403057 1098293593 /nfs/dbraw/zinc/29/35/93/1098293593.db2.gz MQHWVMBGKCCEJG-UHFFFAOYSA-N -1 3 328.357 2.771 20 5 EFBDHM Cc1cc(N(C)C)ccc1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609404155 1098293689 /nfs/dbraw/zinc/29/36/89/1098293689.db2.gz GKHVPPWFEITCJQ-UHFFFAOYSA-N -1 3 339.359 2.893 20 5 EFBDHM Cc1cc(N(C)C)ccc1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609404155 1098293693 /nfs/dbraw/zinc/29/36/93/1098293693.db2.gz GKHVPPWFEITCJQ-UHFFFAOYSA-N -1 3 339.359 2.893 20 5 EFBDHM Cc1cc(NC[C@@H]2CCOC(C)(C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609409652 1098297668 /nfs/dbraw/zinc/29/76/68/1098297668.db2.gz SAMFQRLIZLMOIU-LLVKDONJSA-N -1 3 346.391 2.700 20 5 EFBDHM Cc1cc(NC[C@@H]2CCOC(C)(C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609409652 1098297675 /nfs/dbraw/zinc/29/76/75/1098297675.db2.gz SAMFQRLIZLMOIU-LLVKDONJSA-N -1 3 346.391 2.700 20 5 EFBDHM Cc1cc([N+](=O)[O-])cnc1NCc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001609413078 1098298734 /nfs/dbraw/zinc/29/87/34/1098298734.db2.gz GFMCASNTQFZJRJ-UHFFFAOYSA-N -1 3 345.750 2.744 20 5 EFBDHM Cc1cc([N+](=O)[O-])cnc1NCc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001609413078 1098298742 /nfs/dbraw/zinc/29/87/42/1098298742.db2.gz GFMCASNTQFZJRJ-UHFFFAOYSA-N -1 3 345.750 2.744 20 5 EFBDHM Cc1cccc2c1CCN(c1cc(-c3nnn[n-]3)ccc1[N+](=O)[O-])C2 ZINC001609434494 1098320642 /nfs/dbraw/zinc/32/06/42/1098320642.db2.gz JKVPXEKJJPIRSO-UHFFFAOYSA-N -1 3 336.355 2.646 20 5 EFBDHM Cc1cccc2c1CCN(c1cc(-c3nn[n-]n3)ccc1[N+](=O)[O-])C2 ZINC001609434494 1098320648 /nfs/dbraw/zinc/32/06/48/1098320648.db2.gz JKVPXEKJJPIRSO-UHFFFAOYSA-N -1 3 336.355 2.646 20 5 EFBDHM Cc1csc([C@@H](C)CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])n1 ZINC001609442171 1098324391 /nfs/dbraw/zinc/32/43/91/1098324391.db2.gz UQBZYPOAXVDAPH-QMMMGPOBSA-N -1 3 345.388 2.755 20 5 EFBDHM Cc1csc([C@@H](C)CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])n1 ZINC001609442171 1098324398 /nfs/dbraw/zinc/32/43/98/1098324398.db2.gz UQBZYPOAXVDAPH-QMMMGPOBSA-N -1 3 345.388 2.755 20 5 EFBDHM Cc1csc(CCNc2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)n1 ZINC001609442464 1098326383 /nfs/dbraw/zinc/32/63/83/1098326383.db2.gz MZOMWBSVUONKGE-UHFFFAOYSA-N -1 3 345.388 2.503 20 5 EFBDHM Cc1csc(CCNc2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)n1 ZINC001609442464 1098326391 /nfs/dbraw/zinc/32/63/91/1098326391.db2.gz MZOMWBSVUONKGE-UHFFFAOYSA-N -1 3 345.388 2.503 20 5 EFBDHM Cc1nc(N(C)[C@@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC001609450151 1098329427 /nfs/dbraw/zinc/32/94/27/1098329427.db2.gz AQCVBEJISRDAQG-NSHDSACASA-N -1 3 339.359 2.676 20 5 EFBDHM Cc1nc(N(C)[C@@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC001609450151 1098329433 /nfs/dbraw/zinc/32/94/33/1098329433.db2.gz AQCVBEJISRDAQG-NSHDSACASA-N -1 3 339.359 2.676 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@H](CC(F)(F)F)C1 ZINC001609599903 1098393992 /nfs/dbraw/zinc/39/39/92/1098393992.db2.gz HIMQTFAXYAHNQC-MRVPVSSYSA-N -1 3 342.281 2.554 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@H](CC(F)(F)F)C1 ZINC001609599903 1098393997 /nfs/dbraw/zinc/39/39/97/1098393997.db2.gz HIMQTFAXYAHNQC-MRVPVSSYSA-N -1 3 342.281 2.554 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@@H](CC(F)(F)F)C1 ZINC001609599904 1098395072 /nfs/dbraw/zinc/39/50/72/1098395072.db2.gz HIMQTFAXYAHNQC-QMMMGPOBSA-N -1 3 342.281 2.554 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@@H](CC(F)(F)F)C1 ZINC001609599904 1098395079 /nfs/dbraw/zinc/39/50/79/1098395079.db2.gz HIMQTFAXYAHNQC-QMMMGPOBSA-N -1 3 342.281 2.554 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CSCCC1CCOCC1 ZINC001609602837 1098395372 /nfs/dbraw/zinc/39/53/72/1098395372.db2.gz KEQQMHIVTYOCJM-UHFFFAOYSA-N -1 3 349.416 2.825 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1CSCCC1CCOCC1 ZINC001609602837 1098395379 /nfs/dbraw/zinc/39/53/79/1098395379.db2.gz KEQQMHIVTYOCJM-UHFFFAOYSA-N -1 3 349.416 2.825 20 5 EFBDHM O=[N+]([O-])c1ccc(OCc2cn3ccccc3c2-c2nnn[n-]2)cc1 ZINC001609602544 1098396415 /nfs/dbraw/zinc/39/64/15/1098396415.db2.gz UEJDTZCQUKXLFK-UHFFFAOYSA-N -1 3 336.311 2.607 20 5 EFBDHM O=[N+]([O-])c1ccc(OCc2cn3ccccc3c2-c2nn[n-]n2)cc1 ZINC001609602544 1098396422 /nfs/dbraw/zinc/39/64/22/1098396422.db2.gz UEJDTZCQUKXLFK-UHFFFAOYSA-N -1 3 336.311 2.607 20 5 EFBDHM O=[N+]([O-])c1ccccc1OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC001609603507 1098396502 /nfs/dbraw/zinc/39/65/02/1098396502.db2.gz JDIXFPOUUIJHCR-UHFFFAOYSA-N -1 3 341.327 2.623 20 5 EFBDHM O=[N+]([O-])c1ccccc1OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC001609603507 1098396507 /nfs/dbraw/zinc/39/65/07/1098396507.db2.gz JDIXFPOUUIJHCR-UHFFFAOYSA-N -1 3 341.327 2.623 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCC1Cc2ccccc2C1 ZINC001609601571 1098396679 /nfs/dbraw/zinc/39/66/79/1098396679.db2.gz ODGPDNZGXMLCCH-UHFFFAOYSA-N -1 3 336.355 2.602 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCC1Cc2ccccc2C1 ZINC001609601571 1098396687 /nfs/dbraw/zinc/39/66/87/1098396687.db2.gz ODGPDNZGXMLCCH-UHFFFAOYSA-N -1 3 336.355 2.602 20 5 EFBDHM O=[N+]([O-])c1ccc(Cl)c(C=Cc2ccncc2-c2nnn[n-]2)c1 ZINC001609601760 1098396722 /nfs/dbraw/zinc/39/67/22/1098396722.db2.gz YRRHRDRABIMRPU-UPHRSURJSA-N -1 3 328.719 2.994 20 5 EFBDHM O=[N+]([O-])c1ccc(Cl)c(C=Cc2ccncc2-c2nn[n-]n2)c1 ZINC001609601760 1098396728 /nfs/dbraw/zinc/39/67/28/1098396728.db2.gz YRRHRDRABIMRPU-UPHRSURJSA-N -1 3 328.719 2.994 20 5 EFBDHM CC[C@@H](C)N[C@@H](CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])c1ccco1 ZINC001609909496 1098491215 /nfs/dbraw/zinc/49/12/15/1098491215.db2.gz BSOOFXMVQPEVGY-PWSUYJOCSA-N -1 3 348.359 2.822 20 5 EFBDHM O=C([O-])[C@H](NC/C=C/c1ccccc1[N+](=O)[O-])c1cccc(O)c1 ZINC001610719417 1098846057 /nfs/dbraw/zinc/84/60/57/1098846057.db2.gz XQNCMPZIKFYADK-IEXSPKMKSA-N -1 3 328.324 2.729 20 5 EFBDHM O=C([O-])C[C@H](NCc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC001610754532 1098868408 /nfs/dbraw/zinc/86/84/08/1098868408.db2.gz UQYHQPXFFWMBRT-LBPRGKRZSA-N -1 3 343.177 2.700 20 5 EFBDHM O=[N+]([O-])c1cc(F)ccc1[N-]c1ncc(Br)nc1CO ZINC001210955054 1101363860 /nfs/dbraw/zinc/36/38/60/1101363860.db2.gz DCRZWMKFSCQWOY-UHFFFAOYSA-N -1 3 343.112 2.522 20 5 EFBDHM CCCCC(=O)N(CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])C(C)C ZINC001125391985 1102565950 /nfs/dbraw/zinc/56/59/50/1102565950.db2.gz GVYZBWSZLKZIAF-UHFFFAOYSA-N -1 3 338.408 2.559 20 5 EFBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)CCC1CCC1 ZINC001106714394 1111744693 /nfs/dbraw/zinc/74/46/93/1111744693.db2.gz PAWQUXAZMKEXMU-UHFFFAOYSA-N -1 3 336.392 2.536 20 5 EFBDHM C[C@@H](NCc1c(Br)cccc1[N+](=O)[O-])[C@H](C)C(=O)[O-] ZINC000901447870 1112879118 /nfs/dbraw/zinc/87/91/18/1112879118.db2.gz ZQGHTNVMLQLJPH-JGVFFNPUSA-N -1 3 331.166 2.556 20 5 EFBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)CCCC1CC1 ZINC001106913548 1113098649 /nfs/dbraw/zinc/09/86/49/1113098649.db2.gz HVRFNUAHDZYYHZ-UHFFFAOYSA-N -1 3 336.392 2.536 20 5 EFBDHM CCOC(=O)c1ccc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)nc1C ZINC000071971401 1118975603 /nfs/dbraw/zinc/97/56/03/1118975603.db2.gz WTUOOGZXSUJADZ-UHFFFAOYSA-N -1 3 347.302 2.866 20 5 EFBDHM O=C(CCC1CCCC1)NC/C=C\CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107014585 1119778750 /nfs/dbraw/zinc/77/87/50/1119778750.db2.gz NYNPVOUEZXKDNU-ARJAWSKDSA-N -1 3 348.403 2.750 20 5 EFBDHM O=C(NC/C=C\CNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CCCCCC1 ZINC001107076624 1120278880 /nfs/dbraw/zinc/27/88/80/1120278880.db2.gz CLWHQJHOCAGFKX-WAYWQWQTSA-N -1 3 348.403 2.750 20 5 EFBDHM CN(C)[C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000433383784 282168699 /nfs/dbraw/zinc/16/86/99/282168699.db2.gz UASDZPBBTXRXKT-HNNXBMFYSA-N -1 3 329.356 2.932 20 5 EFBDHM CCC(CC)[C@H](CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])OC ZINC000352863424 282273049 /nfs/dbraw/zinc/27/30/49/282273049.db2.gz USEWQKPKCBNFNL-AWEZNQCLSA-N -1 3 344.433 2.714 20 5 EFBDHM O=C([N-]c1ncccc1Cl)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000350867455 304017114 /nfs/dbraw/zinc/01/71/14/304017114.db2.gz UYMSNENOTNPWIR-UHFFFAOYSA-N -1 3 335.703 2.667 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1CCCCCCC1 ZINC000032402132 202223886 /nfs/dbraw/zinc/22/38/86/202223886.db2.gz KMBFJGVQWUUOMQ-UHFFFAOYSA-N -1 3 342.417 2.995 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000032895787 202239863 /nfs/dbraw/zinc/23/98/63/202239863.db2.gz BOIBTYCSVOMCIF-CQSZACIVSA-N -1 3 348.380 2.569 20 5 EFBDHM CO[C@H](C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(C)(C)C ZINC000190036836 238184228 /nfs/dbraw/zinc/18/42/28/238184228.db2.gz NXPKLDJWGUSNAY-GFCCVEGCSA-N -1 3 344.433 2.551 20 5 EFBDHM C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@@H](c1ccccc1)N(C)C ZINC000436895470 296104156 /nfs/dbraw/zinc/10/41/56/296104156.db2.gz VFVLFWWETQAJFN-PXAZEXFGSA-N -1 3 343.383 2.722 20 5 EFBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nc(C)cs1 ZINC000104759458 204117377 /nfs/dbraw/zinc/11/73/77/204117377.db2.gz ZHAWQXSJHMIRCS-LBPRGKRZSA-N -1 3 341.414 2.789 20 5 EFBDHM CCc1nc([N-]C(=O)c2ccc([N+](=O)[O-])s2)sc1C(=O)OC ZINC000127426408 205100915 /nfs/dbraw/zinc/10/09/15/205100915.db2.gz ONBVXODHUYOOTH-UHFFFAOYSA-N -1 3 341.370 2.714 20 5 EFBDHM CCC[C@H]1CCc2nc([N-]C(=O)c3n[nH]cc3[N+](=O)[O-])sc2C1 ZINC000128281153 205141724 /nfs/dbraw/zinc/14/17/24/205141724.db2.gz NDSKLEKBDMXCEI-QMMMGPOBSA-N -1 3 335.389 2.932 20 5 EFBDHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])s1 ZINC000427275812 247332857 /nfs/dbraw/zinc/33/28/57/247332857.db2.gz USZOCKPYSXVEBO-SNVBAGLBSA-N -1 3 341.414 2.708 20 5 EFBDHM C[C@@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)N(C)Cc1ccccc1 ZINC000160317380 206289732 /nfs/dbraw/zinc/28/97/32/206289732.db2.gz BJJJOMUJVSGFAY-ZDUSSCGKSA-N -1 3 343.383 2.551 20 5 EFBDHM COC(=O)c1ccc(C)c([N-]C(=O)c2ccc([N+](=O)[O-])s2)c1O ZINC000436661592 249564960 /nfs/dbraw/zinc/56/49/60/249564960.db2.gz DHJBACAJAJEAFA-UHFFFAOYSA-N -1 3 336.325 2.709 20 5 EFBDHM COc1cccc(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)c1[N+](=O)[O-] ZINC000444752874 250342671 /nfs/dbraw/zinc/34/26/71/250342671.db2.gz KRTYFSUNMIUEDT-UHFFFAOYSA-N -1 3 338.323 2.668 20 5 EFBDHM CC(C)n1cc2cc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)ccc2n1 ZINC000445000172 250373710 /nfs/dbraw/zinc/37/37/10/250373710.db2.gz NAXNEWPXDOFWLE-UHFFFAOYSA-N -1 3 341.327 2.878 20 5 EFBDHM O=c1[n-]c(=O)n(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1Cl ZINC000338555845 285226179 /nfs/dbraw/zinc/22/61/79/285226179.db2.gz ZHDGFZQHWWGWLI-UHFFFAOYSA-N -1 3 349.652 2.578 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000341632127 141842111 /nfs/dbraw/zinc/84/21/11/141842111.db2.gz HCOWALLMVYBKGD-UHFFFAOYSA-N -1 3 330.749 2.628 20 5 EFBDHM CCOc1nc2cc(C(=O)NCc3ccc([N+](=O)[O-])cc3)ccc2[n-]1 ZINC000346207269 142167470 /nfs/dbraw/zinc/16/74/70/142167470.db2.gz AFWQMRTXFQKIFU-UHFFFAOYSA-N -1 3 340.339 2.800 20 5 EFBDHM CCOc1nc2ccc(C(=O)NCc3ccc([N+](=O)[O-])cc3)cc2[n-]1 ZINC000346207269 142167471 /nfs/dbraw/zinc/16/74/71/142167471.db2.gz AFWQMRTXFQKIFU-UHFFFAOYSA-N -1 3 340.339 2.800 20 5 EFBDHM O=C(c1csc(=O)[n-]1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000350021050 142390744 /nfs/dbraw/zinc/39/07/44/142390744.db2.gz XEOMSKSRKFDYGJ-LBPRGKRZSA-N -1 3 337.382 2.645 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-]CC23CCC(CC2)C3)cc1[N+](=O)[O-] ZINC000342501062 145139466 /nfs/dbraw/zinc/13/94/66/145139466.db2.gz BGDXUBXBGLYMEU-UHFFFAOYSA-N -1 3 330.431 2.823 20 5 EFBDHM Cc1ncc(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)c(=O)[n-]1 ZINC000343603757 145250211 /nfs/dbraw/zinc/25/02/11/145250211.db2.gz NAALKMYCGGNEGD-UHFFFAOYSA-N -1 3 326.259 2.612 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCCCS2)c1C ZINC000343959772 145333850 /nfs/dbraw/zinc/33/38/50/145333850.db2.gz ACAZNTCGPWAVQK-GFCCVEGCSA-N -1 3 344.458 2.776 20 5 EFBDHM CCC[C@@H](NC(C)C)C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000352150786 146302078 /nfs/dbraw/zinc/30/20/78/146302078.db2.gz UYAAAYXCSFNWCI-CQSZACIVSA-N -1 3 345.403 2.512 20 5 EFBDHM C[C@@H](NC(=O)c1c[n-]nc1-c1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000353074978 146391119 /nfs/dbraw/zinc/39/11/19/146391119.db2.gz AUOBBCRMJNFUDT-LLVKDONJSA-N -1 3 337.339 2.871 20 5 EFBDHM Cc1ccc(-c2noc(Cc3c(C)nc(C)[n-]c3=O)n2)cc1[N+](=O)[O-] ZINC000355979840 147114110 /nfs/dbraw/zinc/11/41/10/147114110.db2.gz FSZLBHRSIWDUJO-UHFFFAOYSA-N -1 3 341.327 2.656 20 5 EFBDHM COC1(C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])CCCCC1 ZINC000356251550 147189370 /nfs/dbraw/zinc/18/93/70/147189370.db2.gz SYQCXTBFUAKLFE-UHFFFAOYSA-N -1 3 342.417 2.531 20 5 EFBDHM Cc1cc(CN(C)C)cc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000356729943 147321091 /nfs/dbraw/zinc/32/10/91/147321091.db2.gz PCUJQWHDYICEET-UHFFFAOYSA-N -1 3 329.356 2.923 20 5 EFBDHM CCc1ncc(S(=O)(=O)[N-][C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000359245229 148035403 /nfs/dbraw/zinc/03/54/03/148035403.db2.gz RWPHUQFPSPBRRU-VIFPVBQESA-N -1 3 341.414 2.653 20 5 EFBDHM O=c1cc(C(F)(F)F)nc(CNc2cc(F)cc([N+](=O)[O-])c2)[n-]1 ZINC000359620040 148142003 /nfs/dbraw/zinc/14/20/03/148142003.db2.gz LSESGMSNXPOUTR-UHFFFAOYSA-N -1 3 332.213 2.860 20 5 EFBDHM O=[N+]([O-])c1ccc(NCc2nnc(C(F)(F)F)[n-]2)c2ccncc21 ZINC000359713094 148169348 /nfs/dbraw/zinc/16/93/48/148169348.db2.gz LYKJETBTSKXAHV-UHFFFAOYSA-N -1 3 338.249 2.892 20 5 EFBDHM O=[N+]([O-])c1ccc(NCc2n[n-]c(C(F)(F)F)n2)c2ccncc21 ZINC000359713094 148169349 /nfs/dbraw/zinc/16/93/49/148169349.db2.gz LYKJETBTSKXAHV-UHFFFAOYSA-N -1 3 338.249 2.892 20 5 EFBDHM O=[N+]([O-])c1ccc(NCc2nc(C(F)(F)F)n[n-]2)c2ccncc21 ZINC000359713094 148169351 /nfs/dbraw/zinc/16/93/51/148169351.db2.gz LYKJETBTSKXAHV-UHFFFAOYSA-N -1 3 338.249 2.892 20 5 EFBDHM COc1ccc([N-]S(=O)(=O)Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000359858622 148208958 /nfs/dbraw/zinc/20/89/58/148208958.db2.gz QOFNQXPLVSQUOC-UHFFFAOYSA-N -1 3 340.332 2.684 20 5 EFBDHM CC(C)=CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000359987201 148243111 /nfs/dbraw/zinc/24/31/11/148243111.db2.gz NAPKNVOTOVDMJK-UHFFFAOYSA-N -1 3 349.206 2.602 20 5 EFBDHM Cc1cccc(F)c1S(=O)(=O)[N-]Cc1cccc([N+](=O)[O-])c1C ZINC000360129029 148279031 /nfs/dbraw/zinc/27/90/31/148279031.db2.gz BPICSANZRCISDL-UHFFFAOYSA-N -1 3 338.360 2.829 20 5 EFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCOCCC(C)C)c1[N+](=O)[O-] ZINC000360258986 148313432 /nfs/dbraw/zinc/31/34/32/148313432.db2.gz RVVWNRQETCVSPZ-UHFFFAOYSA-N -1 3 344.433 2.553 20 5 EFBDHM O=C([N-]c1nc2c(s1)COCC2)c1cc(F)c([N+](=O)[O-])cc1F ZINC000364106135 149070206 /nfs/dbraw/zinc/07/02/06/149070206.db2.gz YHDVSJUAVPKXLQ-UHFFFAOYSA-N -1 3 341.295 2.655 20 5 EFBDHM Cc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])N(C)C)cc1 ZINC000436867113 292201331 /nfs/dbraw/zinc/20/13/31/292201331.db2.gz AQWLPHRJITZWDQ-MRXNPFEDSA-N -1 3 343.383 2.642 20 5 EFBDHM CCOC[C@@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(C)C ZINC000188397662 286139753 /nfs/dbraw/zinc/13/97/53/286139753.db2.gz RDVWNVRTIFTIEL-CYBMUJFWSA-N -1 3 344.433 2.551 20 5 EFBDHM COc1cc(C)cc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)c1[O-] ZINC000091696261 264661503 /nfs/dbraw/zinc/66/15/03/264661503.db2.gz SRDZDZOUQRTIKT-UHFFFAOYSA-N -1 3 342.311 2.746 20 5 EFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000186334444 265061829 /nfs/dbraw/zinc/06/18/29/265061829.db2.gz TXQKTHKWMDYWCD-ZJUUUORDSA-N -1 3 346.380 2.600 20 5 EFBDHM O=C(Nc1ccc2nccnc2c1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000194635269 265378786 /nfs/dbraw/zinc/37/87/86/265378786.db2.gz WJSWYZBBZHJBOJ-UHFFFAOYSA-N -1 3 334.295 2.667 20 5 EFBDHM O=C([N-]c1nnc2n1CCCC2)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000272584459 266315609 /nfs/dbraw/zinc/31/56/09/266315609.db2.gz YWMJTBOSPFHVHV-UHFFFAOYSA-N -1 3 327.300 2.521 20 5 EFBDHM CC[C@H]1CCc2nc([N-]C(=O)c3nn(C)cc3[N+](=O)[O-])sc2C1 ZINC000271131760 273100482 /nfs/dbraw/zinc/10/04/82/273100482.db2.gz QHRUKUDHQRWOSH-QMMMGPOBSA-N -1 3 335.389 2.552 20 5 EFBDHM Cc1cccc(CCC[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])n1 ZINC000285454135 274002433 /nfs/dbraw/zinc/00/24/33/274002433.db2.gz YIONSXQWEGLBEZ-UHFFFAOYSA-N -1 3 349.412 2.518 20 5 EFBDHM CCCN(CCN1CCCCC1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000286149535 274143233 /nfs/dbraw/zinc/14/32/33/274143233.db2.gz IRBOBVFTFDJJHE-UHFFFAOYSA-N -1 3 335.404 2.639 20 5 EFBDHM C[C@@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000288632594 274633122 /nfs/dbraw/zinc/63/31/22/274633122.db2.gz OCLHNPNDLXNKCO-ZBEGNZNMSA-N -1 3 348.380 2.536 20 5 EFBDHM O=C(c1n[n-]c2ccc([N+](=O)[O-])cc21)N1CCOc2cccc(F)c21 ZINC000345025235 275015982 /nfs/dbraw/zinc/01/59/82/275015982.db2.gz WTMADQWZBUGCJZ-UHFFFAOYSA-N -1 3 342.286 2.649 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C1CC1 ZINC000076851759 292761168 /nfs/dbraw/zinc/76/11/68/292761168.db2.gz NCHBSDNRXYOZOB-OAHLLOKOSA-N -1 3 346.408 2.894 20 5 EFBDHM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1c([O-])cccc1O ZINC000125810639 293016994 /nfs/dbraw/zinc/01/69/94/293016994.db2.gz QKOJSMFAXIOPSN-UHFFFAOYSA-N -1 3 330.340 2.759 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CC(C)(C)OC2(C)C)cc1[N+](=O)[O-] ZINC000126378254 293037151 /nfs/dbraw/zinc/03/71/51/293037151.db2.gz NLFRQMJIPIIESW-JTQLQIEISA-N -1 3 348.446 2.589 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-]CCC[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000127133637 293060238 /nfs/dbraw/zinc/06/02/38/293060238.db2.gz JPBRLCNRAZBIOF-LLVKDONJSA-N -1 3 348.446 2.592 20 5 EFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nc3ccccn3n2)c1 ZINC000133084774 293246832 /nfs/dbraw/zinc/24/68/32/293246832.db2.gz DAPULWPRLDSJDQ-UHFFFAOYSA-N -1 3 329.341 2.612 20 5 EFBDHM CC(=O)c1ccc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000133370478 293254884 /nfs/dbraw/zinc/25/48/84/293254884.db2.gz MCBSQEZZSSOYSG-UHFFFAOYSA-N -1 3 348.380 2.782 20 5 EFBDHM COc1cc([C@@H]2Nc3ccccc3C(=O)N2C)c([N+](=O)[O-])cc1[O-] ZINC000009468730 295021490 /nfs/dbraw/zinc/02/14/90/295021490.db2.gz LWXMYJDMDXHQLV-OAHLLOKOSA-N -1 3 329.312 2.505 20 5 EFBDHM COc1cc(CNC[C@H](Cc2ccccc2)OC)c([N+](=O)[O-])cc1[O-] ZINC000294759467 295222361 /nfs/dbraw/zinc/22/23/61/295222361.db2.gz IZAZUTMQCXHDQG-HNNXBMFYSA-N -1 3 346.383 2.656 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000154283724 302049015 /nfs/dbraw/zinc/04/90/15/302049015.db2.gz LJYRCMIFETVKDO-VNQPRFMTSA-N -1 3 344.392 2.520 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1c2ccccc2O[C@@H]1C ZINC000341892051 302049075 /nfs/dbraw/zinc/04/90/75/302049075.db2.gz SSIICHPVBINEKJ-ABAIWWIYSA-N -1 3 348.380 2.704 20 5 EFBDHM O=C(c1n[n-]c2ccc([N+](=O)[O-])cc21)N1CCc2c1cc(F)cc2F ZINC000171964110 310756008 /nfs/dbraw/zinc/75/60/08/310756008.db2.gz AARAMGLZCJUVHD-UHFFFAOYSA-N -1 3 344.277 2.952 20 5 EFBDHM CCc1nnsc1C(=O)[N-]c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000298488664 310994986 /nfs/dbraw/zinc/99/49/86/310994986.db2.gz ZEJZBNVPONNQPY-UHFFFAOYSA-N -1 3 344.299 2.862 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)c2ccccn2)cc1C ZINC000299077890 311048616 /nfs/dbraw/zinc/04/86/16/311048616.db2.gz QXYADCYIIITSDG-GFCCVEGCSA-N -1 3 335.385 2.646 20 5 EFBDHM O=c1[n-]cnc2c1CN(c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)CC2 ZINC000301783406 311157854 /nfs/dbraw/zinc/15/78/54/311157854.db2.gz KHTFZAGNLOFUHJ-UHFFFAOYSA-N -1 3 340.261 2.672 20 5 EFBDHM Cc1ncc(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)c(=O)[n-]1 ZINC000417340029 312211443 /nfs/dbraw/zinc/21/14/43/312211443.db2.gz JHODIPMQFLVUQF-INIZCTEOSA-N -1 3 328.372 2.956 20 5 EFBDHM Cc1ccc(CN[C@@H](Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(=O)[O-])o1 ZINC000426722458 312527853 /nfs/dbraw/zinc/52/78/53/312527853.db2.gz VTJSFLSJVIPDNL-INIZCTEOSA-N -1 3 343.339 2.763 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000462501925 313115637 /nfs/dbraw/zinc/11/56/37/313115637.db2.gz OJBLOKIINFVWEU-GJZGRUSLSA-N -1 3 346.408 2.813 20 5 EFBDHM CCc1ccc(C(=O)Nc2nnc(-c3ccccn3)[n-]2)cc1[N+](=O)[O-] ZINC000471797847 313160416 /nfs/dbraw/zinc/16/04/16/313160416.db2.gz HMHLIMZIQFCYOU-UHFFFAOYSA-N -1 3 338.327 2.590 20 5 EFBDHM CCc1ccc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)cc1[N+](=O)[O-] ZINC000471797847 313160418 /nfs/dbraw/zinc/16/04/18/313160418.db2.gz HMHLIMZIQFCYOU-UHFFFAOYSA-N -1 3 338.327 2.590 20 5 EFBDHM CCc1ccc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)cc1[N+](=O)[O-] ZINC000471797847 313160420 /nfs/dbraw/zinc/16/04/20/313160420.db2.gz HMHLIMZIQFCYOU-UHFFFAOYSA-N -1 3 338.327 2.590 20 5 EFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C2Cc3ccccc3C2)c1[N+](=O)[O-] ZINC000480726491 313283034 /nfs/dbraw/zinc/28/30/34/313283034.db2.gz BEGRSLJBMURWFW-UHFFFAOYSA-N -1 3 346.408 2.657 20 5 EFBDHM CCCC[C@@H](COC)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000481020117 313286723 /nfs/dbraw/zinc/28/67/23/313286723.db2.gz HSEWUMSVJZWPKE-ZDUSSCGKSA-N -1 3 344.433 2.695 20 5 EFBDHM CCc1cc(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2)ccc1[O-] ZINC000486383920 313337322 /nfs/dbraw/zinc/33/73/22/313337322.db2.gz ZIVVLXHLAOITBU-UHFFFAOYSA-N -1 3 344.323 2.902 20 5 EFBDHM CCC(CC)(C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])OC ZINC000490554295 313656986 /nfs/dbraw/zinc/65/69/86/313656986.db2.gz GCUMDIKPASGKHJ-UHFFFAOYSA-N -1 3 344.433 2.695 20 5 EFBDHM CC[C@H](C)C[C@@H](C)[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000491561408 313765232 /nfs/dbraw/zinc/76/52/32/313765232.db2.gz SSBGBHMDAUVWSM-VHSXEESVSA-N -1 3 348.396 2.846 20 5 EFBDHM O=C(/C=C\c1cncc([O-])c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000492479390 314006097 /nfs/dbraw/zinc/00/60/97/314006097.db2.gz ZEZDUQLMCRAGGX-YVMONPNESA-N -1 3 339.351 2.900 20 5 EFBDHM C[C@@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000494296011 314570948 /nfs/dbraw/zinc/57/09/48/314570948.db2.gz PVZFJVFQNFCWPO-VIFPVBQESA-N -1 3 340.323 2.994 20 5 EFBDHM CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCc1ccc([O-])c(F)c1 ZINC000497784977 315397040 /nfs/dbraw/zinc/39/70/40/315397040.db2.gz APVIRGOGZAWGFD-UHFFFAOYSA-N -1 3 347.346 2.824 20 5 EFBDHM COc1cc(CN[C@@H]2COc3cc(F)ccc3C2)c([N+](=O)[O-])cc1[O-] ZINC000520610936 315970516 /nfs/dbraw/zinc/97/05/16/315970516.db2.gz COYMOIPLKXANSY-ZDUSSCGKSA-N -1 3 348.330 2.541 20 5 EFBDHM CCc1cccc(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)c1[O-] ZINC000530720421 317170852 /nfs/dbraw/zinc/17/08/52/317170852.db2.gz IYMXNACTIFHNRR-UHFFFAOYSA-N -1 3 330.340 2.801 20 5 EFBDHM COC(=O)c1csc([N-]C(=O)c2cc(OC)ccc2[N+](=O)[O-])c1 ZINC000531856078 317323409 /nfs/dbraw/zinc/32/34/09/317323409.db2.gz UUXSCSQJYLWQOP-UHFFFAOYSA-N -1 3 336.325 2.704 20 5 EFBDHM CC1(C)CC(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000547718937 318033870 /nfs/dbraw/zinc/03/38/70/318033870.db2.gz QPFHDSGPEUPULD-UHFFFAOYSA-N -1 3 332.809 2.963 20 5 EFBDHM COc1ccccc1-c1csc([N-]C(=O)c2c[nH]nc2[N+](=O)[O-])n1 ZINC000547763535 318038410 /nfs/dbraw/zinc/03/84/10/318038410.db2.gz VCIXTPWYFCEZMP-UHFFFAOYSA-N -1 3 345.340 2.702 20 5 EFBDHM CC[C@@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C)C(F)(F)F ZINC000548146758 318078327 /nfs/dbraw/zinc/07/83/27/318078327.db2.gz OSONZTMRDLGDNJ-LLVKDONJSA-N -1 3 340.323 2.913 20 5 EFBDHM Cc1[n-][nH]c(=O)c1CCNc1cc(C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000549118444 318166424 /nfs/dbraw/zinc/16/64/24/318166424.db2.gz MCFROKGDAJXJFR-VIFPVBQESA-N -1 3 344.293 2.846 20 5 EFBDHM Cc1[n-][nH]c(=O)c1CCNc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000553380306 318280923 /nfs/dbraw/zinc/28/09/23/318280923.db2.gz MUJSFLIGEDJLCF-QMMMGPOBSA-N -1 3 331.159 2.826 20 5 EFBDHM O=[N+]([O-])c1cccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2F)c1 ZINC000556366952 318388446 /nfs/dbraw/zinc/38/84/46/318388446.db2.gz VZHJFLSZESGIBW-UHFFFAOYSA-N -1 3 344.751 2.866 20 5 EFBDHM CC1([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC1 ZINC000557110459 318427156 /nfs/dbraw/zinc/42/71/56/318427156.db2.gz XHUZQHVGWYBQPB-UHFFFAOYSA-N -1 3 338.307 2.835 20 5 EFBDHM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2cc(=O)[n-]cn2)no1 ZINC000567854540 319218296 /nfs/dbraw/zinc/21/82/96/319218296.db2.gz LLAAPMRTQFLFGW-NSHDSACASA-N -1 3 341.327 2.877 20 5 EFBDHM Cc1[n-][nH]c(=O)c1CCNc1cc(C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000573297084 319751409 /nfs/dbraw/zinc/75/14/09/319751409.db2.gz DMUOTMDYPQEGTH-VIFPVBQESA-N -1 3 344.293 2.846 20 5 EFBDHM O=C(Nc1ccc(O)c2ccccc12)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000574870468 319902076 /nfs/dbraw/zinc/90/20/76/319902076.db2.gz VLLGRZFPQZNRPY-UHFFFAOYSA-N -1 3 325.280 2.807 20 5 EFBDHM COc1cc(C(=O)[N-]c2nnc(C3CC3)s2)cc([N+](=O)[O-])c1C ZINC000576881877 320057214 /nfs/dbraw/zinc/05/72/14/320057214.db2.gz MYUJKTCRRRYGSA-UHFFFAOYSA-N -1 3 334.357 2.893 20 5 EFBDHM O=[N+]([O-])c1ccc(OC2CCN(Cc3ncccc3[O-])CC2)cc1 ZINC000577799662 320144167 /nfs/dbraw/zinc/14/41/67/320144167.db2.gz PWNQOUYWGXRGLC-UHFFFAOYSA-N -1 3 329.356 2.739 20 5 EFBDHM C[C@H](Nc1nccc(C(=O)[O-])c1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000577955498 320159824 /nfs/dbraw/zinc/15/98/24/320159824.db2.gz VYBMLCVRZRDBKJ-SMDDNHRTSA-N -1 3 344.371 2.791 20 5 EFBDHM CC[C@@H](CSC)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000181613019 323241117 /nfs/dbraw/zinc/24/11/17/323241117.db2.gz JGBUFLKNSAAGNK-VIFPVBQESA-N -1 3 338.838 2.668 20 5 EFBDHM C[C@@H](C(=O)Nc1nnc(C(F)(F)F)[n-]1)c1ccc([N+](=O)[O-])cc1F ZINC000185429765 323390814 /nfs/dbraw/zinc/39/08/14/323390814.db2.gz NWRXPIYQPASJRY-RXMQYKEDSA-N -1 3 347.228 2.613 20 5 EFBDHM C[C@@H](C(=O)Nc1nc(C(F)(F)F)n[n-]1)c1ccc([N+](=O)[O-])cc1F ZINC000185429765 323390818 /nfs/dbraw/zinc/39/08/18/323390818.db2.gz NWRXPIYQPASJRY-RXMQYKEDSA-N -1 3 347.228 2.613 20 5 EFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C)c2ccccn2)c1[N+](=O)[O-] ZINC000189800364 533707488 /nfs/dbraw/zinc/70/74/88/533707488.db2.gz ATMAYZLTHWDKLF-GFCCVEGCSA-N -1 3 335.385 2.646 20 5 EFBDHM Cc1ccncc1[C@@H](C)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000616428764 479905810 /nfs/dbraw/zinc/90/58/10/479905810.db2.gz CGKXIDUYOALVPL-CYBMUJFWSA-N -1 3 349.412 2.955 20 5 EFBDHM O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc([O-])cc1 ZINC000003341306 471443020 /nfs/dbraw/zinc/44/30/20/471443020.db2.gz RZIYLMMQCPQELP-UHFFFAOYSA-N -1 3 331.280 2.524 20 5 EFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccsc1 ZINC000042996477 472188322 /nfs/dbraw/zinc/18/83/22/472188322.db2.gz NQYROQOOQFHYIC-UHFFFAOYSA-N -1 3 332.790 2.788 20 5 EFBDHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000055972880 472266657 /nfs/dbraw/zinc/26/66/57/472266657.db2.gz OFHNECVAKWNKFY-LLVKDONJSA-N -1 3 338.360 2.816 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCc2ccccc21 ZINC000056001432 472269564 /nfs/dbraw/zinc/26/95/64/472269564.db2.gz RQVRZQLRYCJYNI-CQSZACIVSA-N -1 3 332.381 2.869 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc(F)c2)c(Cl)c1 ZINC000056044763 472276310 /nfs/dbraw/zinc/27/63/10/472276310.db2.gz FEBRPAJIUABNCC-UHFFFAOYSA-N -1 3 344.751 2.866 20 5 EFBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC000030529818 472337628 /nfs/dbraw/zinc/33/76/28/472337628.db2.gz XQAGMTPHKVWWNK-UHFFFAOYSA-N -1 3 328.296 2.982 20 5 EFBDHM Cc1ccc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c([O-])c1 ZINC000031256425 472370473 /nfs/dbraw/zinc/37/04/73/472370473.db2.gz IHCKDXXKXCFANJ-UHFFFAOYSA-N -1 3 341.367 2.571 20 5 EFBDHM CCCCc1nnc([N-]C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)s1 ZINC000045318078 472392275 /nfs/dbraw/zinc/39/22/75/472392275.db2.gz BJEOPUDAJWAURE-UHFFFAOYSA-N -1 3 346.372 2.918 20 5 EFBDHM Cc1csc(C(C)(C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000116378529 472397571 /nfs/dbraw/zinc/39/75/71/472397571.db2.gz YOOLTZYDGTZCTJ-UHFFFAOYSA-N -1 3 341.414 2.573 20 5 EFBDHM CCOC(=O)c1cc(C(=O)[N-]c2c(C)noc2CC)cc([N+](=O)[O-])c1 ZINC000089396631 472426263 /nfs/dbraw/zinc/42/62/63/472426263.db2.gz WKCJJPUXYRPYOU-UHFFFAOYSA-N -1 3 347.327 2.883 20 5 EFBDHM CS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000117376192 472465425 /nfs/dbraw/zinc/46/54/25/472465425.db2.gz JQXLGBQMBZIOEH-NWDGAFQWSA-N -1 3 344.458 2.856 20 5 EFBDHM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCN(CC2CCCCC2)CC1 ZINC000070828292 472515527 /nfs/dbraw/zinc/51/55/27/472515527.db2.gz DZVHNRPVWJTNGT-UHFFFAOYSA-N -1 3 347.415 2.639 20 5 EFBDHM Cc1ccc(C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])s1 ZINC000101572492 472542399 /nfs/dbraw/zinc/54/23/99/472542399.db2.gz VLNGTDOQLRJMGI-UHFFFAOYSA-N -1 3 326.399 2.752 20 5 EFBDHM COc1cccc2c1CC[C@@H]2[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000131948627 472703873 /nfs/dbraw/zinc/70/38/73/472703873.db2.gz YTPHLWFRZLDGRF-ZDUSSCGKSA-N -1 3 348.380 2.569 20 5 EFBDHM CCO[C@H](CC[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(C)C ZINC000072714822 472704930 /nfs/dbraw/zinc/70/49/30/472704930.db2.gz XUWGUSJTOJCXBV-CQSZACIVSA-N -1 3 344.433 2.633 20 5 EFBDHM O=C(CCNc1ccccc1[N+](=O)[O-])NCc1ccc([O-])c(F)c1 ZINC000133063812 472772268 /nfs/dbraw/zinc/77/22/68/472772268.db2.gz RUQKRKOZXBQGBR-UHFFFAOYSA-N -1 3 333.319 2.558 20 5 EFBDHM COC(C)(C)C[C@@H](C)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000120975976 472776381 /nfs/dbraw/zinc/77/63/81/472776381.db2.gz DXLHOVFEIZDVIF-LLVKDONJSA-N -1 3 344.433 2.694 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)c2cnccc2C)cc1[N+](=O)[O-] ZINC000613481864 480012928 /nfs/dbraw/zinc/01/29/28/480012928.db2.gz NPNAHWXYLFXYMU-SECBINFHSA-N -1 3 341.414 2.708 20 5 EFBDHM O=C(Cc1ccc([O-])cc1Cl)NCCc1ccc([N+](=O)[O-])cc1 ZINC000122203728 472987321 /nfs/dbraw/zinc/98/73/21/472987321.db2.gz AKOKBSPLJVMWBW-UHFFFAOYSA-N -1 3 334.759 2.855 20 5 EFBDHM CC(C)CSCCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000159021009 472990998 /nfs/dbraw/zinc/99/09/98/472990998.db2.gz YQKPLZPYHMKISI-UHFFFAOYSA-N -1 3 332.447 2.652 20 5 EFBDHM Cc1cnc(C(C)(C)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000080282241 473008579 /nfs/dbraw/zinc/00/85/79/473008579.db2.gz JTZHWRYKHXXLJL-UHFFFAOYSA-N -1 3 341.414 2.573 20 5 EFBDHM O=C([N-]c1n[nH]c2ccc([N+](=O)[O-])cc21)c1cc(-c2ccco2)on1 ZINC000122652081 473041587 /nfs/dbraw/zinc/04/15/87/473041587.db2.gz DWKGDQXKPCCJQD-UHFFFAOYSA-N -1 3 339.267 2.971 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-]CCc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000122713429 473049854 /nfs/dbraw/zinc/04/98/54/473049854.db2.gz LBUBROLWNHQFIR-UHFFFAOYSA-N -1 3 344.389 2.625 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCCc3occc32)cc1[N+](=O)[O-] ZINC000123025405 473087725 /nfs/dbraw/zinc/08/77/25/473087725.db2.gz CGAKKFJRVNRDDX-SNVBAGLBSA-N -1 3 342.398 2.914 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H]2Cc3ccccc32)cc1[N+](=O)[O-] ZINC000123254394 473116783 /nfs/dbraw/zinc/11/67/83/473116783.db2.gz MJDVNYIUWMHSKJ-NSHDSACASA-N -1 3 338.410 2.583 20 5 EFBDHM COC(=O)c1sc2[n-]c(-c3cccc([N+](=O)[O-])c3)nc(=O)c2c1C ZINC000066606632 473123537 /nfs/dbraw/zinc/12/35/37/473123537.db2.gz HTRWSVBZAXMMGP-UHFFFAOYSA-N -1 3 345.336 2.655 20 5 EFBDHM CCc1ncsc1C(=O)[N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000123679341 473172441 /nfs/dbraw/zinc/17/24/41/473172441.db2.gz URJLSQOSDBHMLX-UHFFFAOYSA-N -1 3 344.356 2.651 20 5 EFBDHM CCCc1[nH]nc(C(=O)Nc2ccc([O-])cc2OCC)c1[N+](=O)[O-] ZINC000190984267 473448611 /nfs/dbraw/zinc/44/86/11/473448611.db2.gz AGQWMINJDBMXNB-UHFFFAOYSA-N -1 3 334.332 2.627 20 5 EFBDHM CN(CCCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000164042569 473477212 /nfs/dbraw/zinc/47/72/12/473477212.db2.gz DRANSACNYNLHID-UHFFFAOYSA-N -1 3 343.383 2.552 20 5 EFBDHM Cc1ccc([C@@H](CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)N(C)C)cc1 ZINC000164401051 473487793 /nfs/dbraw/zinc/48/77/93/473487793.db2.gz VNCKZAIXKQCCKR-MRXNPFEDSA-N -1 3 343.383 2.642 20 5 EFBDHM CC[C@](C)([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000185834544 473526659 /nfs/dbraw/zinc/52/66/59/473526659.db2.gz DQLWJOGGQBGRSN-ZDUSSCGKSA-N -1 3 341.414 2.655 20 5 EFBDHM COC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1[O-] ZINC000170507541 473556330 /nfs/dbraw/zinc/55/63/30/473556330.db2.gz PVTLASQHFXRZPU-UHFFFAOYSA-N -1 3 330.296 2.648 20 5 EFBDHM O=[N+]([O-])c1cccc(N2CCN(Cc3cc([O-])cc(F)c3)CC2)c1 ZINC000186191605 473611335 /nfs/dbraw/zinc/61/13/35/473611335.db2.gz VNBUCQGUENQVKI-UHFFFAOYSA-N -1 3 331.347 2.762 20 5 EFBDHM O=C(Nc1cc(F)ccc1OCC1CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000192180610 473643837 /nfs/dbraw/zinc/64/38/37/473643837.db2.gz OBWURTCMTVAJIS-UHFFFAOYSA-N -1 3 347.302 2.876 20 5 EFBDHM C[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@H](c1ccccc1)N(C)C ZINC000186477320 473679868 /nfs/dbraw/zinc/67/98/68/473679868.db2.gz OIONZOXLYMBHHJ-YVEFUNNKSA-N -1 3 343.383 2.722 20 5 EFBDHM O=C(Nc1ccccc1OC(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187543541 473884069 /nfs/dbraw/zinc/88/40/69/473884069.db2.gz UDCZEJJOKCPIBR-UHFFFAOYSA-N -1 3 325.227 2.549 20 5 EFBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](C1CC1)C(F)(F)F ZINC000288356542 473918513 /nfs/dbraw/zinc/91/85/13/473918513.db2.gz JGVRACXGTJMMGU-LLVKDONJSA-N -1 3 338.307 2.522 20 5 EFBDHM C[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@H](c1ccccc1)N(C)C ZINC000274789428 473959937 /nfs/dbraw/zinc/95/99/37/473959937.db2.gz PRTBQSBMRHSYAX-SJKOYZFVSA-N -1 3 343.383 2.722 20 5 EFBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C2CC2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000288654728 474012943 /nfs/dbraw/zinc/01/29/43/474012943.db2.gz QZDHIVYBNPKTOB-NSHDSACASA-N -1 3 338.307 2.522 20 5 EFBDHM COc1cc(CNc2nnc(CC(C)C)s2)c([N+](=O)[O-])cc1[O-] ZINC000181541083 474047581 /nfs/dbraw/zinc/04/75/81/474047581.db2.gz YIFCQHQNDKBZBD-UHFFFAOYSA-N -1 3 338.389 2.971 20 5 EFBDHM Cc1ccc([C@@H](C)NC(=O)/C=C/c2cncc([O-])c2)cc1[N+](=O)[O-] ZINC000182082136 474095122 /nfs/dbraw/zinc/09/51/22/474095122.db2.gz ZYMZCKRIRBAZOF-FVOPLDGLSA-N -1 3 327.340 2.894 20 5 EFBDHM Cc1ccc([O-])c(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000188534454 474121023 /nfs/dbraw/zinc/12/10/23/474121023.db2.gz PPOLIBMPSQJUFP-UHFFFAOYSA-N -1 3 328.324 2.512 20 5 EFBDHM Cc1cccc(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)c1[O-] ZINC000174957887 474122687 /nfs/dbraw/zinc/12/26/87/474122687.db2.gz GXGMTCMFJOFLIM-UHFFFAOYSA-N -1 3 339.307 2.703 20 5 EFBDHM CCc1nc([N-]C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n[nH]1 ZINC000182252195 474134561 /nfs/dbraw/zinc/13/45/61/474134561.db2.gz ZEZFHFREMJUIEN-UHFFFAOYSA-N -1 3 329.238 2.546 20 5 EFBDHM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nc3c(s2)COCC3)c1 ZINC000282914360 474239480 /nfs/dbraw/zinc/23/94/80/474239480.db2.gz VSDDNGSAVVRBQK-UHFFFAOYSA-N -1 3 349.368 2.775 20 5 EFBDHM CCS[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000175703389 474287130 /nfs/dbraw/zinc/28/71/30/474287130.db2.gz WRNSEODROGTERK-YPMHNXCESA-N -1 3 344.458 2.937 20 5 EFBDHM C[C@@H](C1CC1)n1cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cn1 ZINC000189332006 474362947 /nfs/dbraw/zinc/36/29/47/474362947.db2.gz QPUVDGZHNIFGOJ-VIFPVBQESA-N -1 3 340.343 2.891 20 5 EFBDHM C[C@H](C1CC1)n1cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cn1 ZINC000189332033 474363403 /nfs/dbraw/zinc/36/34/03/474363403.db2.gz QPUVDGZHNIFGOJ-SECBINFHSA-N -1 3 340.343 2.891 20 5 EFBDHM COC(C)(C)C[C@@H](C)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000190014742 474537157 /nfs/dbraw/zinc/53/71/57/474537157.db2.gz BASAEORHIIQOAH-GFCCVEGCSA-N -1 3 344.433 2.694 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CCCc2c(O)cccc21 ZINC000190339202 474581693 /nfs/dbraw/zinc/58/16/93/474581693.db2.gz JBBOOTGOJFUZOM-ZDUSSCGKSA-N -1 3 348.380 2.656 20 5 EFBDHM CCSCCC[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000337199002 474775973 /nfs/dbraw/zinc/77/59/73/474775973.db2.gz DNRHHGHLJONACP-UHFFFAOYSA-N -1 3 332.447 2.633 20 5 EFBDHM CC[C@@H](C)CO[N-]C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000292022749 474807311 /nfs/dbraw/zinc/80/73/11/474807311.db2.gz BKBUWEISPHKYRB-MRVPVSSYSA-N -1 3 348.302 2.912 20 5 EFBDHM Nc1c(C(=O)Nc2ccc(Cl)cc2[O-])cc(F)cc1[N+](=O)[O-] ZINC000339007815 474827930 /nfs/dbraw/zinc/82/79/30/474827930.db2.gz UJILCDHWZWKQME-UHFFFAOYSA-N -1 3 325.683 2.927 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H]1CCCC1(C)C ZINC000339109900 474937502 /nfs/dbraw/zinc/93/75/02/474937502.db2.gz PPOAYVDTFUMRPO-LLVKDONJSA-N -1 3 342.417 2.708 20 5 EFBDHM CCc1noc(C)c1[N-]C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000339177450 475008759 /nfs/dbraw/zinc/00/87/59/475008759.db2.gz BXULHAYWVGKTJP-UHFFFAOYSA-N -1 3 335.316 2.723 20 5 EFBDHM CCOc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262062580 475161750 /nfs/dbraw/zinc/16/17/50/475161750.db2.gz BXYFWCPHERWBQB-SUMWQHHRSA-N -1 3 334.372 2.680 20 5 EFBDHM COc1cc(Br)cc([N-]c2ncc([N+](=O)[O-])cn2)c1 ZINC000354570925 475261978 /nfs/dbraw/zinc/26/19/78/475261978.db2.gz HLYVBYWBUPAYRX-UHFFFAOYSA-N -1 3 325.122 2.900 20 5 EFBDHM O=C(Nc1ccc(Cl)cc1[O-])c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000352408639 475265654 /nfs/dbraw/zinc/26/56/54/475265654.db2.gz ZRQDOAJNTZEQTA-UHFFFAOYSA-N -1 3 336.687 2.935 20 5 EFBDHM COc1ccc([N-]C(=O)c2coc(C3CCOCC3)n2)c([N+](=O)[O-])c1 ZINC000337746678 475290971 /nfs/dbraw/zinc/29/09/71/475290971.db2.gz GQZMAQLGLNSNNI-UHFFFAOYSA-N -1 3 347.327 2.738 20 5 EFBDHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000347395771 475293925 /nfs/dbraw/zinc/29/39/25/475293925.db2.gz BYPFNQLBVWYWGH-UHFFFAOYSA-N -1 3 338.283 2.707 20 5 EFBDHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000347395771 475293931 /nfs/dbraw/zinc/29/39/31/475293931.db2.gz BYPFNQLBVWYWGH-UHFFFAOYSA-N -1 3 338.283 2.707 20 5 EFBDHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000347395771 475293936 /nfs/dbraw/zinc/29/39/36/475293936.db2.gz BYPFNQLBVWYWGH-UHFFFAOYSA-N -1 3 338.283 2.707 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc(C)c(F)c2)c([N+](=O)[O-])c1 ZINC000337803115 475336741 /nfs/dbraw/zinc/33/67/41/475336741.db2.gz JAXFBFHPLMOJPY-UHFFFAOYSA-N -1 3 338.360 2.829 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]CCc2ccccc2F)c([N+](=O)[O-])c1 ZINC000337822293 475352933 /nfs/dbraw/zinc/35/29/33/475352933.db2.gz VDKTZFBLDOYGRZ-UHFFFAOYSA-N -1 3 338.360 2.563 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]Cc2cc(F)cc(F)c2)c([N+](=O)[O-])c1 ZINC000337833151 475361631 /nfs/dbraw/zinc/36/16/31/475361631.db2.gz GUWPJYCLCZSFFT-UHFFFAOYSA-N -1 3 342.323 2.660 20 5 EFBDHM COC(=O)c1cc(NC(=O)c2ccc(C)c([O-])c2)cc([N+](=O)[O-])c1 ZINC000354746130 475378020 /nfs/dbraw/zinc/37/80/20/475378020.db2.gz VMVPYUXUBDDORI-UHFFFAOYSA-N -1 3 330.296 2.648 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C(C2CCC2)C2CCC2)c(F)c1 ZINC000352538891 475393642 /nfs/dbraw/zinc/39/36/42/475393642.db2.gz QLJQWMNCSRWJGQ-UHFFFAOYSA-N -1 3 342.392 2.981 20 5 EFBDHM CC(C)(NC(=O)c1cc(F)cc2nn[n-]c21)c1ccccc1[N+](=O)[O-] ZINC000345792533 475455251 /nfs/dbraw/zinc/45/52/51/475455251.db2.gz HLJFKRYZPKOPEJ-UHFFFAOYSA-N -1 3 343.318 2.670 20 5 EFBDHM CC(C)(NC(=O)c1cc(F)cc2[n-]nnc21)c1ccccc1[N+](=O)[O-] ZINC000345792533 475455258 /nfs/dbraw/zinc/45/52/58/475455258.db2.gz HLJFKRYZPKOPEJ-UHFFFAOYSA-N -1 3 343.318 2.670 20 5 EFBDHM CC(C)(NC(=O)c1cc(F)cc2n[n-]nc21)c1ccccc1[N+](=O)[O-] ZINC000345792533 475455269 /nfs/dbraw/zinc/45/52/69/475455269.db2.gz HLJFKRYZPKOPEJ-UHFFFAOYSA-N -1 3 343.318 2.670 20 5 EFBDHM COc1ccc([N-]S(=O)(=O)Cc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000358172759 475458073 /nfs/dbraw/zinc/45/80/73/475458073.db2.gz UWWFYRWIWXROOJ-UHFFFAOYSA-N -1 3 336.369 2.854 20 5 EFBDHM COc1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc(OC)c1[O-] ZINC000338208472 475674724 /nfs/dbraw/zinc/67/47/24/475674724.db2.gz UICLBBDEWIGTHM-UHFFFAOYSA-N -1 3 344.323 2.521 20 5 EFBDHM CCc1nc([N-]C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)n[nH]1 ZINC000342991771 475679752 /nfs/dbraw/zinc/67/97/52/475679752.db2.gz CWCXBOLWMGOGHU-UHFFFAOYSA-N -1 3 329.238 2.546 20 5 EFBDHM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC000340051092 475718412 /nfs/dbraw/zinc/71/84/12/475718412.db2.gz HXZWXHBZBIWPDG-VIFPVBQESA-N -1 3 341.776 2.683 20 5 EFBDHM COC(=O)c1ccc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)c(F)c1 ZINC000361838123 475797931 /nfs/dbraw/zinc/79/79/31/475797931.db2.gz QOVZQPPBFLLUBA-UHFFFAOYSA-N -1 3 336.250 2.912 20 5 EFBDHM Cc1ccsc1CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000358600387 475800628 /nfs/dbraw/zinc/80/06/28/475800628.db2.gz XHRIQVMYYCCRNC-UHFFFAOYSA-N -1 3 344.389 2.625 20 5 EFBDHM Cc1nc2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2[nH]1 ZINC000340151831 475803939 /nfs/dbraw/zinc/80/39/39/475803939.db2.gz NRVCEMVHMOOUPE-UHFFFAOYSA-N -1 3 346.368 2.889 20 5 EFBDHM O=C(c1n[n-]c2ccc([N+](=O)[O-])cc21)N1CCc2cc(F)ccc21 ZINC000338359405 475824810 /nfs/dbraw/zinc/82/48/10/475824810.db2.gz MNJNTZWURJKVKN-UHFFFAOYSA-N -1 3 326.287 2.813 20 5 EFBDHM CCCCO[C@H](C)C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000338428001 475895620 /nfs/dbraw/zinc/89/56/20/475895620.db2.gz AZNCJRDCCNHLSS-LLVKDONJSA-N -1 3 332.360 2.551 20 5 EFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cncs1 ZINC000338433442 475900433 /nfs/dbraw/zinc/90/04/33/475900433.db2.gz XWIPMQMPDDLEAP-ZETCQYMHSA-N -1 3 347.805 2.744 20 5 EFBDHM COc1ccc([O-])c(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])c1 ZINC000340318245 475942233 /nfs/dbraw/zinc/94/22/33/475942233.db2.gz WVMFOBZHXMOTBY-UHFFFAOYSA-N -1 3 348.311 2.579 20 5 EFBDHM CCc1oc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)cc1C(=O)OC ZINC000338525302 475981549 /nfs/dbraw/zinc/98/15/49/475981549.db2.gz TXTVZCZQFNBGLV-UHFFFAOYSA-N -1 3 336.275 2.928 20 5 EFBDHM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)[C@H]1C ZINC000340388912 476003523 /nfs/dbraw/zinc/00/35/23/476003523.db2.gz ASIGDCSJEYJYCC-NRUUGDAUSA-N -1 3 330.381 2.837 20 5 EFBDHM COC(=O)c1cc([N-]C(=O)c2ncccc2Cl)cc([N+](=O)[O-])c1 ZINC000340510149 476075517 /nfs/dbraw/zinc/07/55/17/476075517.db2.gz CVSCJVAHXKOOKC-UHFFFAOYSA-N -1 3 335.703 2.682 20 5 EFBDHM CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2[O-])cc1OC ZINC000358973623 476081056 /nfs/dbraw/zinc/08/10/56/476081056.db2.gz DIQNKIJKMYJEPV-UHFFFAOYSA-N -1 3 332.312 2.960 20 5 EFBDHM O=[N+]([O-])c1ccccc1N1CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000350214972 476098539 /nfs/dbraw/zinc/09/85/39/476098539.db2.gz FHWRMOFEFKWZMA-UHFFFAOYSA-N -1 3 349.337 2.901 20 5 EFBDHM COc1cc(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])ccc1[O-] ZINC000359132892 476206283 /nfs/dbraw/zinc/20/62/83/476206283.db2.gz VNAVOIKAOZRXGQ-UHFFFAOYSA-N -1 3 330.340 2.624 20 5 EFBDHM CCO[C@@H]1C[C@@](NCc2ccc(C)c([N+](=O)[O-])c2)(C(=O)[O-])C1(C)C ZINC000340687652 476206894 /nfs/dbraw/zinc/20/68/94/476206894.db2.gz BBSATBBLIPFYMP-RHSMWYFYSA-N -1 3 336.388 2.651 20 5 EFBDHM CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1Cl ZINC000340717838 476227965 /nfs/dbraw/zinc/22/79/65/476227965.db2.gz JXOOVNMQYDAJKM-UHFFFAOYSA-N -1 3 337.719 3.000 20 5 EFBDHM CCc1cc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)ccc1[O-] ZINC000362442938 476254680 /nfs/dbraw/zinc/25/46/80/476254680.db2.gz WQHJYHBHJNYVHJ-UHFFFAOYSA-N -1 3 329.356 2.705 20 5 EFBDHM CCOc1cc(-c2noc(-c3ccc([N+](=O)[O-])n3C)n2)ccc1[O-] ZINC000350790531 476300419 /nfs/dbraw/zinc/30/04/19/476300419.db2.gz FXTFQLPMDHZLIQ-UHFFFAOYSA-N -1 3 330.300 2.755 20 5 EFBDHM C[C@H]1CCc2nc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)sc2C1 ZINC000362584329 476317933 /nfs/dbraw/zinc/31/79/33/476317933.db2.gz TXEJKLBIQIMIIW-ZETCQYMHSA-N -1 3 334.357 2.529 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H]3CCC[C@H]3C2)c(F)c1 ZINC000360893362 476460135 /nfs/dbraw/zinc/46/01/35/476460135.db2.gz KPTMQCOVHFAYIY-GRYCIOLGSA-N -1 3 342.392 2.981 20 5 EFBDHM CC(C)CN1CCCC[C@@H]1CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000354199671 476496069 /nfs/dbraw/zinc/49/60/69/476496069.db2.gz GVTDKOJPIAAKKC-CYBMUJFWSA-N -1 3 335.404 2.541 20 5 EFBDHM CCN(c1cccc([O-])c1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000352308814 476627341 /nfs/dbraw/zinc/62/73/41/476627341.db2.gz LTGSFERRCPYNIO-UHFFFAOYSA-N -1 3 342.398 2.886 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H]2CCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000429896326 476712778 /nfs/dbraw/zinc/71/27/78/476712778.db2.gz QASDBMAMDJRYIB-MRVPVSSYSA-N -1 3 340.373 2.678 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](C2CC2)C2CCC2)c(F)c1 ZINC000416511389 477195506 /nfs/dbraw/zinc/19/55/06/477195506.db2.gz LUHVOLOELQYWBL-AWEZNQCLSA-N -1 3 328.365 2.591 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H]3C[C@@H]32)c(Cl)c1 ZINC000416561790 477217847 /nfs/dbraw/zinc/21/78/47/477217847.db2.gz UUWOQRPEJAARMR-QRTLGDNMSA-N -1 3 330.793 2.715 20 5 EFBDHM CC[C@@H](C)N[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccco1 ZINC000436714461 477568249 /nfs/dbraw/zinc/56/82/49/477568249.db2.gz METIZLFDHGICFE-YPMHNXCESA-N -1 3 347.371 2.753 20 5 EFBDHM Cc1ccc(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c([O-])c1C ZINC000436815544 477599728 /nfs/dbraw/zinc/59/97/28/477599728.db2.gz LHAVFNRFKDOPQF-UHFFFAOYSA-N -1 3 342.351 2.821 20 5 EFBDHM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])[C@@H](c1ccccc1)N(C)C ZINC000436891459 477627498 /nfs/dbraw/zinc/62/74/98/477627498.db2.gz ISLIROQYVQEZMY-WBMJQRKESA-N -1 3 343.383 2.722 20 5 EFBDHM C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])N(C)Cc1ccccc1 ZINC000436972142 477655003 /nfs/dbraw/zinc/65/50/03/477655003.db2.gz MVKAQKXZFJPJPS-ZDUSSCGKSA-N -1 3 343.383 2.551 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000427955713 477792300 /nfs/dbraw/zinc/79/23/00/477792300.db2.gz LWAWNLHSCUISKF-UHFFFAOYSA-N -1 3 338.323 2.668 20 5 EFBDHM CCc1cc(C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)ccc1[O-] ZINC000427971300 477796272 /nfs/dbraw/zinc/79/62/72/477796272.db2.gz LVNBBZBRRULPIQ-UHFFFAOYSA-N -1 3 342.351 2.898 20 5 EFBDHM CN(C)CCc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000438566974 477865595 /nfs/dbraw/zinc/86/55/95/477865595.db2.gz KEOKHFJVKWVNGX-UHFFFAOYSA-N -1 3 329.356 2.657 20 5 EFBDHM CN(C)CCc1ccccc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000438567801 477865936 /nfs/dbraw/zinc/86/59/36/477865936.db2.gz ODIDOHIDRUMOIA-UHFFFAOYSA-N -1 3 329.356 2.657 20 5 EFBDHM C[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000461823740 477885839 /nfs/dbraw/zinc/88/58/39/477885839.db2.gz XUWCXTCZSOXHAP-VHSXEESVSA-N -1 3 332.809 2.963 20 5 EFBDHM CCc1[n-][nH]c(=NC(=O)[C@@H](CC)Cc2ccc([N+](=O)[O-])cc2)c1C ZINC000463115317 477927878 /nfs/dbraw/zinc/92/78/78/477927878.db2.gz XJSQFXAEMYBPPX-ZDUSSCGKSA-N -1 3 330.388 2.818 20 5 EFBDHM O=[N+]([O-])c1cc(F)cc(-c2nc(-c3ccc4n[n-]nc4c3)no2)c1 ZINC000516902372 478005888 /nfs/dbraw/zinc/00/58/88/478005888.db2.gz RZBHOVKXAYCIGF-UHFFFAOYSA-N -1 3 326.247 2.722 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC(C)(C)C1CCC1 ZINC000451814039 478213488 /nfs/dbraw/zinc/21/34/88/478213488.db2.gz SIWFXULJPTXHNG-UHFFFAOYSA-N -1 3 342.417 2.708 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCC[C@@H](F)C2)c1C ZINC000579349005 478275926 /nfs/dbraw/zinc/27/59/26/478275926.db2.gz VLSWYSCQDHNBLC-NEPJUHHUSA-N -1 3 330.381 2.771 20 5 EFBDHM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000594334795 478333190 /nfs/dbraw/zinc/33/31/90/478333190.db2.gz KJDBVDRBCQOPIN-CQSZACIVSA-N -1 3 341.367 2.761 20 5 EFBDHM COc1ccc(CN2CC[C@H](C(=O)[O-])[C@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000600676846 478466298 /nfs/dbraw/zinc/46/62/98/478466298.db2.gz YWXIOISIOWDTTP-RDBSUJKOSA-N -1 3 334.372 2.679 20 5 EFBDHM CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)Cc1cncc([O-])c1 ZINC000597726378 478482179 /nfs/dbraw/zinc/48/21/79/478482179.db2.gz AXTKMPBUVZRKBH-UHFFFAOYSA-N -1 3 330.344 2.697 20 5 EFBDHM COCC1(C(=O)[O-])CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000563291073 478510664 /nfs/dbraw/zinc/51/06/64/478510664.db2.gz ZBYFBFYZXBOBOF-CYBMUJFWSA-N -1 3 336.388 2.777 20 5 EFBDHM CCC[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC)C1CCC1 ZINC000591331272 478524880 /nfs/dbraw/zinc/52/48/80/478524880.db2.gz UUKITUPJBPBVNT-LBPRGKRZSA-N -1 3 342.417 2.851 20 5 EFBDHM CC(C)[C@@]1(C)C[C@H]1[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594783524 478539819 /nfs/dbraw/zinc/53/98/19/478539819.db2.gz KFQSTAFTNLOPOS-GDBMZVCRSA-N -1 3 349.412 2.856 20 5 EFBDHM O=C([O-])[C@@H](c1ccccc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000582365468 478581058 /nfs/dbraw/zinc/58/10/58/478581058.db2.gz WILXEFDWJKVKJF-QGZVFWFLSA-N -1 3 341.367 2.543 20 5 EFBDHM CCc1cccc(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)c1[O-] ZINC000542426735 478650825 /nfs/dbraw/zinc/65/08/25/478650825.db2.gz BGABHRZKWGSPHS-UHFFFAOYSA-N -1 3 330.340 2.801 20 5 EFBDHM O=C([O-])CCN(CCOc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000595280739 478712119 /nfs/dbraw/zinc/71/21/19/478712119.db2.gz ZKTJATBDHCHOQA-UHFFFAOYSA-N -1 3 344.367 2.951 20 5 EFBDHM O=C([O-])[C@H](c1ccccc1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000572609628 478879478 /nfs/dbraw/zinc/87/94/78/478879478.db2.gz WVMCFBXDAUSJKE-KRWDZBQOSA-N -1 3 341.367 2.543 20 5 EFBDHM CC[C@H](NCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)C(=O)[O-] ZINC000592423064 478890391 /nfs/dbraw/zinc/89/03/91/478890391.db2.gz JJFSEDXJANSSFR-ZDUSSCGKSA-N -1 3 334.328 2.816 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000507564883 478928174 /nfs/dbraw/zinc/92/81/74/478928174.db2.gz YPUFLZNCOAQXFW-CYBMUJFWSA-N -1 3 334.397 2.985 20 5 EFBDHM O=C(c1cc(F)c[n-]c1=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000598694741 478975294 /nfs/dbraw/zinc/97/52/94/478975294.db2.gz DGMPPCUPTULWPJ-UHFFFAOYSA-N -1 3 331.303 2.639 20 5 EFBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)C1CC2(CCC2)C1 ZINC000592945150 479105235 /nfs/dbraw/zinc/10/52/35/479105235.db2.gz CCHIVGLORWRSCI-UHFFFAOYSA-N -1 3 326.356 2.926 20 5 EFBDHM O=c1[n-]ccc(N2CCN(Cc3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000596052736 479109074 /nfs/dbraw/zinc/10/90/74/479109074.db2.gz JHXCHNVEFZZVTP-UHFFFAOYSA-N -1 3 348.790 2.671 20 5 EFBDHM O=c1[n-]ccc(N2CCN(c3cccc(Cl)c3)CC2)c1[N+](=O)[O-] ZINC000596056107 479110756 /nfs/dbraw/zinc/11/07/56/479110756.db2.gz QEBZSEVFZURIAF-UHFFFAOYSA-N -1 3 334.763 2.675 20 5 EFBDHM O=c1[n-]ccc(N2CCN(C/C=C\c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000596055077 479110920 /nfs/dbraw/zinc/11/09/20/479110920.db2.gz DGKZSDFGPSFPFF-DAXSKMNVSA-N -1 3 340.383 2.531 20 5 EFBDHM CC(=O)c1cccc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])c1[O-] ZINC000584378139 479113305 /nfs/dbraw/zinc/11/33/05/479113305.db2.gz XWGURYKJXNCIMV-UHFFFAOYSA-N -1 3 343.339 2.578 20 5 EFBDHM O=C(c1ccccc1)C1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596066827 479118907 /nfs/dbraw/zinc/11/89/07/479118907.db2.gz SGNSZKCXCGADRP-UHFFFAOYSA-N -1 3 327.340 2.795 20 5 EFBDHM CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000515100139 479119249 /nfs/dbraw/zinc/11/92/49/479119249.db2.gz JIWBYJYYAHGAPN-AAEUAGOBSA-N -1 3 342.417 2.851 20 5 EFBDHM CC(C)C(=O)Nc1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000596069513 479120688 /nfs/dbraw/zinc/12/06/88/479120688.db2.gz LEMXWMSNDARKNZ-UHFFFAOYSA-N -1 3 330.344 2.902 20 5 EFBDHM Cc1cc(N2CCN(C(=O)c3ccccc3[O-])CC2)c([N+](=O)[O-])s1 ZINC000596078264 479124445 /nfs/dbraw/zinc/12/44/45/479124445.db2.gz USTWEKYRLUABPB-UHFFFAOYSA-N -1 3 347.396 2.633 20 5 EFBDHM CCOCCOCc1cccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC000596078821 479125292 /nfs/dbraw/zinc/12/52/92/479125292.db2.gz UKQXBYXYVCUVAQ-UHFFFAOYSA-N -1 3 347.371 2.861 20 5 EFBDHM O=C1CCCN1Cc1ccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000596083854 479129545 /nfs/dbraw/zinc/12/95/45/479129545.db2.gz XDRDOLNMMBETMC-UHFFFAOYSA-N -1 3 328.328 2.561 20 5 EFBDHM CC[C@H](C)NC(=O)c1ccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000596087523 479131064 /nfs/dbraw/zinc/13/10/64/479131064.db2.gz HATODWGXQNFJGK-JTQLQIEISA-N -1 3 330.344 2.967 20 5 EFBDHM O=c1[n-]ccc(N2CCC(OCCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000596091821 479133478 /nfs/dbraw/zinc/13/34/78/479133478.db2.gz DTZDGNRQOKKWJB-UHFFFAOYSA-N -1 3 343.383 2.924 20 5 EFBDHM CC(C)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000596096082 479136154 /nfs/dbraw/zinc/13/61/54/479136154.db2.gz ALHXOWQPLJTDJA-UHFFFAOYSA-N -1 3 345.355 2.856 20 5 EFBDHM COc1ccccc1N1CC[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596102938 479139646 /nfs/dbraw/zinc/13/96/46/479139646.db2.gz FEKRUXLQJDVMNX-LBPRGKRZSA-N -1 3 344.371 2.642 20 5 EFBDHM CCN(Cc1c([O-])c(C)ncc1CO)c1cc(C)c([N+](=O)[O-])cc1F ZINC000599094018 479159833 /nfs/dbraw/zinc/15/98/33/479159833.db2.gz XSAZYXQGMWXTQT-UHFFFAOYSA-N -1 3 349.362 2.970 20 5 EFBDHM O=C([O-])[C@H](c1cccnc1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000584541697 479173723 /nfs/dbraw/zinc/17/37/23/479173723.db2.gz VLQNXQCTIZIKKX-WBVHZDCISA-N -1 3 341.367 2.995 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC(F)(F)C2)c(Cl)c1 ZINC000610785451 479186072 /nfs/dbraw/zinc/18/60/72/479186072.db2.gz URMNJDVZWVAONF-ZETCQYMHSA-N -1 3 340.735 2.714 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCC(F)(F)C2)cc1C ZINC000610785272 479186134 /nfs/dbraw/zinc/18/61/34/479186134.db2.gz DMGSSZKZJCTMFC-JTQLQIEISA-N -1 3 334.344 2.678 20 5 EFBDHM CCN1C(=O)CCc2cc(Nc3cc[n-]c(=O)c3[N+](=O)[O-])ccc21 ZINC000596192404 479190381 /nfs/dbraw/zinc/19/03/81/479190381.db2.gz RDLHDSZRBPUHDK-UHFFFAOYSA-N -1 3 328.328 2.738 20 5 EFBDHM CCOC(=O)[C@@](C)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC000596204712 479198117 /nfs/dbraw/zinc/19/81/17/479198117.db2.gz DFVVAPZACLXUCL-KRWDZBQOSA-N -1 3 345.355 2.628 20 5 EFBDHM CCc1ccc([C@@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])CCO2)cc1 ZINC000596206717 479200060 /nfs/dbraw/zinc/20/00/60/479200060.db2.gz IRPLXANCTATCSP-HNNXBMFYSA-N -1 3 329.356 2.836 20 5 EFBDHM CC(C)n1cc(C2=CCCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)nn1 ZINC000596253934 479224971 /nfs/dbraw/zinc/22/49/71/479224971.db2.gz HQEICYKCNHEUHA-UHFFFAOYSA-N -1 3 344.375 2.552 20 5 EFBDHM CC(C)[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000596298472 479244211 /nfs/dbraw/zinc/24/42/11/479244211.db2.gz YDTKBSOXLMPDQH-JTQLQIEISA-N -1 3 325.365 2.721 20 5 EFBDHM Cc1ccc(C(C)(C)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])nc1 ZINC000599410185 479288050 /nfs/dbraw/zinc/28/80/50/479288050.db2.gz FJYNJVCUWBTVKW-UHFFFAOYSA-N -1 3 349.412 2.554 20 5 EFBDHM O=[N+]([O-])c1ccc([O-])cc1CN1C[C@@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000611263424 479328712 /nfs/dbraw/zinc/32/87/12/479328712.db2.gz CPSYSCQAUSNWQC-IYBDPMFKSA-N -1 3 339.395 2.869 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)c2cnccc2C)c1C ZINC000611292266 479339382 /nfs/dbraw/zinc/33/93/82/479339382.db2.gz BCYBXNBBAIENMV-CYBMUJFWSA-N -1 3 349.412 2.955 20 5 EFBDHM Cc1ccncc1[C@H](C)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000611292037 479339568 /nfs/dbraw/zinc/33/95/68/479339568.db2.gz IXFSMGWGKXLSQN-LBPRGKRZSA-N -1 3 335.385 2.646 20 5 EFBDHM Cc1ccncc1[C@H](C)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000611292161 479339790 /nfs/dbraw/zinc/33/97/90/479339790.db2.gz YTTYASYWOJLKJE-ZDUSSCGKSA-N -1 3 349.412 2.955 20 5 EFBDHM COc1cc(CN(CC(=O)[O-])CC(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000596655994 479375072 /nfs/dbraw/zinc/37/50/72/479375072.db2.gz DGIRHKDRUODCQT-UHFFFAOYSA-N -1 3 340.376 2.545 20 5 EFBDHM CS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000593623137 479406359 /nfs/dbraw/zinc/40/63/59/479406359.db2.gz JNSXJUSJSRUMGA-ZYHUDNBSSA-N -1 3 330.431 2.547 20 5 EFBDHM C[C@@H]1CC2(CN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])CCOCC2 ZINC000593743233 479443095 /nfs/dbraw/zinc/44/30/95/479443095.db2.gz WTFBKXKUBYPWLI-GFCCVEGCSA-N -1 3 334.372 2.684 20 5 EFBDHM O=C([O-])[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000593743407 479443329 /nfs/dbraw/zinc/44/33/29/479443329.db2.gz CTFRXAJGZPRPOJ-QGZVFWFLSA-N -1 3 342.351 2.658 20 5 EFBDHM C[C@H]1CC2(CN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])CCOCC2 ZINC000593743234 479443404 /nfs/dbraw/zinc/44/34/04/479443404.db2.gz WTFBKXKUBYPWLI-LBPRGKRZSA-N -1 3 334.372 2.684 20 5 EFBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1(C(F)F)CCCC1 ZINC000588906049 479455361 /nfs/dbraw/zinc/45/53/61/479455361.db2.gz GHANYNSQTOREPU-UHFFFAOYSA-N -1 3 334.344 2.759 20 5 EFBDHM CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000603957519 479457385 /nfs/dbraw/zinc/45/73/85/479457385.db2.gz QLIVLQDXKXPLFP-GXFFZTMASA-N -1 3 330.381 2.981 20 5 EFBDHM C[C@@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)o1 ZINC000604040602 479467076 /nfs/dbraw/zinc/46/70/76/479467076.db2.gz NEIKEPNJCJCCJF-QMTHXVAHSA-N -1 3 336.369 2.790 20 5 EFBDHM CC(C)Cc1cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)n[nH]1 ZINC000614679855 479480113 /nfs/dbraw/zinc/48/01/13/479480113.db2.gz RQOWTRMSQOPHGQ-UHFFFAOYSA-N -1 3 328.332 2.645 20 5 EFBDHM CC(C)[C@]1(C(=O)[O-])CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000575929095 479504895 /nfs/dbraw/zinc/50/48/95/479504895.db2.gz NOTVGGXMMPAMOS-INIZCTEOSA-N -1 3 333.344 2.669 20 5 EFBDHM C[C@@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000604431874 479517291 /nfs/dbraw/zinc/51/72/91/479517291.db2.gz VXSGKOSISDYIEJ-MNOVXSKESA-N -1 3 330.381 2.839 20 5 EFBDHM Cc1cc(=O)[n-]c(C(C)(C)NCC=Cc2ccccc2[N+](=O)[O-])n1 ZINC000600181490 479567889 /nfs/dbraw/zinc/56/78/89/479567889.db2.gz QPLKPBNRBVXLEV-VURMDHGXSA-N -1 3 328.372 2.937 20 5 EFBDHM CSc1ccc(C(=O)Nc2[nH]nc3cc([O-])ccc32)cc1[N+](=O)[O-] ZINC000590558503 479659543 /nfs/dbraw/zinc/65/95/43/479659543.db2.gz RDMLEZQYTBLQEA-UHFFFAOYSA-N -1 3 344.352 2.573 20 5 EFBDHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(F)cc2)c(F)cc1[N+](=O)[O-] ZINC000590588888 479664181 /nfs/dbraw/zinc/66/41/81/479664181.db2.gz AOVZPNRQHOCLSO-UHFFFAOYSA-N -1 3 342.323 2.660 20 5 EFBDHM CO[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1cc([N+](=O)[O-])c(C)cc1C ZINC000590597670 479665986 /nfs/dbraw/zinc/66/59/86/479665986.db2.gz PCHLGZXPQVNYSJ-LSDHHAIUSA-N -1 3 342.417 2.911 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1C[C@]1(C)c1ccccc1 ZINC000610265531 480265686 /nfs/dbraw/zinc/26/56/86/480265686.db2.gz RNJJCMXIOWEOPB-NVXWUHKLSA-N -1 3 346.408 2.912 20 5 EFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CC(C1CC1)C1CC1 ZINC000610270062 480267414 /nfs/dbraw/zinc/26/74/14/480267414.db2.gz XKLVGEMQCSLECL-UHFFFAOYSA-N -1 3 344.820 2.963 20 5 EFBDHM C[C@H](C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1ccco1 ZINC000610337632 480282937 /nfs/dbraw/zinc/28/29/37/480282937.db2.gz ZSOIVTRZIRYARG-JTQLQIEISA-N -1 3 326.312 2.742 20 5 EFBDHM Cc1cccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1[O-] ZINC000610505880 480323958 /nfs/dbraw/zinc/32/39/58/480323958.db2.gz BDVXSSQCBZXWKT-UHFFFAOYSA-N -1 3 330.296 2.632 20 5 EFBDHM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc2n[n-]nc2c1 ZINC000065864831 519656038 /nfs/dbraw/zinc/65/60/38/519656038.db2.gz MGDCOGMKSWUHJR-UHFFFAOYSA-N -1 3 339.355 2.917 20 5 EFBDHM COC(=O)c1cc([N-]C(=O)c2ccc(F)cc2F)cc([N+](=O)[O-])c1 ZINC000118723680 521890703 /nfs/dbraw/zinc/89/07/03/521890703.db2.gz KEIUGVSCURWOCJ-UHFFFAOYSA-N -1 3 336.250 2.912 20 5 EFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]Cc2ccsc2)c1[N+](=O)[O-] ZINC000189852573 524192185 /nfs/dbraw/zinc/19/21/85/524192185.db2.gz DXNFFAQSPLRMCE-UHFFFAOYSA-N -1 3 326.399 2.752 20 5 EFBDHM Cc1cccc(S(=O)(=O)[N-]CCc2ccc([N+](=O)[O-])cc2)c1F ZINC000181234830 524798995 /nfs/dbraw/zinc/79/89/95/524798995.db2.gz OCIUFVNJMAMPKL-UHFFFAOYSA-N -1 3 338.360 2.563 20 5 EFBDHM COc1cccc(F)c1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000184481453 526119987 /nfs/dbraw/zinc/11/99/87/526119987.db2.gz GLZQTNKIQRLFIY-UHFFFAOYSA-N -1 3 330.275 2.871 20 5 EFBDHM COc1cccc(NCCCNC(=O)c2cccc([O-])c2)c1[N+](=O)[O-] ZINC000185332397 526208771 /nfs/dbraw/zinc/20/87/71/526208771.db2.gz LHRQZHKZFFJHOG-UHFFFAOYSA-N -1 3 345.355 2.541 20 5 EFBDHM Cc1ncc(-c2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc2)o1 ZINC000189022230 527216873 /nfs/dbraw/zinc/21/68/73/527216873.db2.gz JLXMWVZMEWMIKV-UHFFFAOYSA-N -1 3 340.295 2.911 20 5 EFBDHM O=C(Cc1ccc([O-])cc1Cl)NCCc1cccc([N+](=O)[O-])c1 ZINC000089912723 527242796 /nfs/dbraw/zinc/24/27/96/527242796.db2.gz BGKCASPUJRGFRY-UHFFFAOYSA-N -1 3 334.759 2.855 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccncc2F)c(Cl)c1 ZINC000120855958 527376485 /nfs/dbraw/zinc/37/64/85/527376485.db2.gz IQJNJRITPBFKOC-UHFFFAOYSA-N -1 3 331.712 2.583 20 5 EFBDHM O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1cc(-c2ccco2)[n-]n1 ZINC000089420799 527496636 /nfs/dbraw/zinc/49/66/36/527496636.db2.gz MEPDDFVANOSNCJ-UHFFFAOYSA-N -1 3 338.283 2.707 20 5 EFBDHM O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1cc(-c2ccco2)n[n-]1 ZINC000089420799 527496649 /nfs/dbraw/zinc/49/66/49/527496649.db2.gz MEPDDFVANOSNCJ-UHFFFAOYSA-N -1 3 338.283 2.707 20 5 EFBDHM CCSCC[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000174072073 529188743 /nfs/dbraw/zinc/18/87/43/529188743.db2.gz FMKUXMLMWOZHSK-SECBINFHSA-N -1 3 336.410 2.544 20 5 EFBDHM CCc1[n-][nH]c(=NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)c1C ZINC000412088778 535984309 /nfs/dbraw/zinc/98/43/09/535984309.db2.gz XUYMKFNZMXDJON-UHFFFAOYSA-N -1 3 332.360 2.650 20 5 EFBDHM CCc1ccnc(C[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c1 ZINC000435633765 536012285 /nfs/dbraw/zinc/01/22/85/536012285.db2.gz AUDSEJLPCHRSEG-UHFFFAOYSA-N -1 3 349.412 2.648 20 5 EFBDHM COc1cc(CN[C@@H](C)CC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1[O-] ZINC000344217644 536804466 /nfs/dbraw/zinc/80/44/66/536804466.db2.gz JXGINTNEXWROLA-JTQLQIEISA-N -1 3 340.376 2.519 20 5 EFBDHM COc1cc(C(=O)OCc2cccc([N+](=O)[O-])c2C)cc(OC)c1[O-] ZINC000754263151 575412318 /nfs/dbraw/zinc/41/23/18/575412318.db2.gz SZTDBUFCIODVQN-UHFFFAOYSA-N -1 3 347.323 2.983 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1cc(C(F)(F)F)no1 ZINC000757660427 575848318 /nfs/dbraw/zinc/84/83/18/575848318.db2.gz DFHWOEWGCBLPBZ-UHFFFAOYSA-N -1 3 331.206 2.863 20 5 EFBDHM Nc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(C2CCCCC2)s1 ZINC000757762548 575852466 /nfs/dbraw/zinc/85/24/66/575852466.db2.gz FQGRPXTZHRBVFT-UHFFFAOYSA-N -1 3 348.388 2.724 20 5 EFBDHM Cc1cc([O-])ccc1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000758515998 575871253 /nfs/dbraw/zinc/87/12/53/575871253.db2.gz MYLXSXVOUMFNPF-NSHDSACASA-N -1 3 344.323 2.793 20 5 EFBDHM Cc1sc(C(N)=O)cc1[N-]C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000760170653 575986124 /nfs/dbraw/zinc/98/61/24/575986124.db2.gz LNJUBJDXKPAJEQ-UHFFFAOYSA-N -1 3 339.760 2.969 20 5 EFBDHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc[nH]1 ZINC000760405976 576019530 /nfs/dbraw/zinc/01/95/30/576019530.db2.gz QLMGVVJMMFSYHF-MRVPVSSYSA-N -1 3 329.765 2.616 20 5 EFBDHM O=C(Nc1nccc2ccncc21)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000763322716 576372565 /nfs/dbraw/zinc/37/25/65/576372565.db2.gz AWZLWRFHNPNILS-UHFFFAOYSA-N -1 3 334.295 2.667 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)Cc2ccco2)c1C ZINC000765165421 577014736 /nfs/dbraw/zinc/01/47/36/577014736.db2.gz CZICVBGITSBALT-NSHDSACASA-N -1 3 338.385 2.714 20 5 EFBDHM C[C@H](CCc1ccco1)[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768795472 577303428 /nfs/dbraw/zinc/30/34/28/577303428.db2.gz SMZMAYXVWXDGGA-SECBINFHSA-N -1 3 330.387 2.549 20 5 EFBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCCCc2ccccc2)cs1 ZINC000768804574 577304260 /nfs/dbraw/zinc/30/42/60/577304260.db2.gz WFIJWOSNBDXVEU-UHFFFAOYSA-N -1 3 340.426 2.958 20 5 EFBDHM Cc1ccc(CC[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c(C)c1 ZINC000768815872 577305459 /nfs/dbraw/zinc/30/54/59/577305459.db2.gz QSJLITQDIPKNOH-UHFFFAOYSA-N -1 3 340.426 2.794 20 5 EFBDHM CS[C@@H](C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)C(C)(C)C ZINC000768886104 577313973 /nfs/dbraw/zinc/31/39/73/577313973.db2.gz HYEUYBWEAKOEDE-VIFPVBQESA-N -1 3 338.476 2.712 20 5 EFBDHM CC(C)(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)CCO1 ZINC000768882503 577313769 /nfs/dbraw/zinc/31/37/69/577313769.db2.gz OLWJBOPBCPIEBN-MWLCHTKSSA-N -1 3 348.446 2.528 20 5 EFBDHM O=C(Oc1cc(F)cc([N+](=O)[O-])c1)c1[n-]nc2ccc([N+](=O)[O-])cc21 ZINC000771640455 581229534 /nfs/dbraw/zinc/22/95/34/581229534.db2.gz DBASCNYUKUBTTK-UHFFFAOYSA-N -1 3 346.230 2.738 20 5 EFBDHM O=C(Oc1cc(F)cc([N+](=O)[O-])c1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000771640455 581229536 /nfs/dbraw/zinc/22/95/36/581229536.db2.gz DBASCNYUKUBTTK-UHFFFAOYSA-N -1 3 346.230 2.738 20 5 EFBDHM COc1cc(COC(=O)c2c([O-])cccc2F)c([N+](=O)[O-])cc1F ZINC000772592363 581344485 /nfs/dbraw/zinc/34/44/85/581344485.db2.gz JYRYJCKNUQNGRQ-UHFFFAOYSA-N -1 3 339.250 2.944 20 5 EFBDHM Cc1noc(C)c1[C@@H](C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737536091 598870618 /nfs/dbraw/zinc/87/06/18/598870618.db2.gz FGISRKCRWPVDOY-SSDOTTSWSA-N -1 3 329.320 2.553 20 5 EFBDHM Cc1noc(C)c1[C@@H](C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737536091 598870620 /nfs/dbraw/zinc/87/06/20/598870620.db2.gz FGISRKCRWPVDOY-SSDOTTSWSA-N -1 3 329.320 2.553 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@@H]2C[C@H]2Cc2ccccc2)c(-c2nnn[n-]2)c1 ZINC000823639876 599034826 /nfs/dbraw/zinc/03/48/26/599034826.db2.gz KENZQZYZVASCNW-MLGOLLRUSA-N -1 3 336.355 2.818 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@@H]2C[C@H]2Cc2ccccc2)c(-c2nn[n-]n2)c1 ZINC000823639876 599034829 /nfs/dbraw/zinc/03/48/29/599034829.db2.gz KENZQZYZVASCNW-MLGOLLRUSA-N -1 3 336.355 2.818 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CCC[C@H]2c2ccco2)c(-c2nnn[n-]2)c1 ZINC000738369559 599170118 /nfs/dbraw/zinc/17/01/18/599170118.db2.gz ISBQXCJZARDJRZ-ZDUSSCGKSA-N -1 3 326.316 2.709 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CCC[C@H]2c2ccco2)c(-c2nn[n-]n2)c1 ZINC000738369559 599170120 /nfs/dbraw/zinc/17/01/20/599170120.db2.gz ISBQXCJZARDJRZ-ZDUSSCGKSA-N -1 3 326.316 2.709 20 5 EFBDHM C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736157726 598490610 /nfs/dbraw/zinc/49/06/10/598490610.db2.gz LKHBNFAGUUVEKS-JTQLQIEISA-N -1 3 339.311 2.693 20 5 EFBDHM C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736157726 598490612 /nfs/dbraw/zinc/49/06/12/598490612.db2.gz LKHBNFAGUUVEKS-JTQLQIEISA-N -1 3 339.311 2.693 20 5 EFBDHM CCc1nc([C@H](C)Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cs1 ZINC000736697999 598680941 /nfs/dbraw/zinc/68/09/41/598680941.db2.gz FFKCQZOCPMEOKA-QMMMGPOBSA-N -1 3 345.388 2.967 20 5 EFBDHM CCc1nc([C@H](C)Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cs1 ZINC000736697999 598680943 /nfs/dbraw/zinc/68/09/43/598680943.db2.gz FFKCQZOCPMEOKA-QMMMGPOBSA-N -1 3 345.388 2.967 20 5 EFBDHM CC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1nccs1 ZINC000736370988 599530276 /nfs/dbraw/zinc/53/02/76/599530276.db2.gz UYNFQDJJIWEPFE-SNVBAGLBSA-N -1 3 331.361 2.795 20 5 EFBDHM CC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1nccs1 ZINC000736370988 599530277 /nfs/dbraw/zinc/53/02/77/599530277.db2.gz UYNFQDJJIWEPFE-SNVBAGLBSA-N -1 3 331.361 2.795 20 5 EFBDHM CC(C)N(CCC(=O)[O-])Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000736468253 600609888 /nfs/dbraw/zinc/60/98/88/600609888.db2.gz JZJGAIITBRYTQV-UHFFFAOYSA-N -1 3 332.360 2.601 20 5 EFBDHM CC(C)N(CCC(=O)[O-])Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000833497629 605290782 /nfs/dbraw/zinc/29/07/82/605290782.db2.gz JXJXTCDHHMSFQX-UHFFFAOYSA-N -1 3 332.360 2.601 20 5 EFBDHM CC[C@H](Nc1ccc(-c2nnn[n-]2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000820924862 606100817 /nfs/dbraw/zinc/10/08/17/606100817.db2.gz ANESLZSNWPCLPU-ZDUSSCGKSA-N -1 3 325.332 2.733 20 5 EFBDHM CC[C@H](Nc1ccc(-c2nn[n-]n2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000820924862 606100819 /nfs/dbraw/zinc/10/08/19/606100819.db2.gz ANESLZSNWPCLPU-ZDUSSCGKSA-N -1 3 325.332 2.733 20 5 EFBDHM Cc1cnc([C@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)s1 ZINC000822388806 606103936 /nfs/dbraw/zinc/10/39/36/606103936.db2.gz BMKFBUKKPRJQSB-QMMMGPOBSA-N -1 3 331.361 2.713 20 5 EFBDHM Cc1cnc([C@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)s1 ZINC000822388806 606103939 /nfs/dbraw/zinc/10/39/39/606103939.db2.gz BMKFBUKKPRJQSB-QMMMGPOBSA-N -1 3 331.361 2.713 20 5 EFBDHM Cc1cnc([C@@H](C)Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])s1 ZINC000822388835 606104044 /nfs/dbraw/zinc/10/40/44/606104044.db2.gz CWQJGRRBCAZWSG-MRVPVSSYSA-N -1 3 331.361 2.713 20 5 EFBDHM Cc1cnc([C@@H](C)Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])s1 ZINC000822388835 606104046 /nfs/dbraw/zinc/10/40/46/606104046.db2.gz CWQJGRRBCAZWSG-MRVPVSSYSA-N -1 3 331.361 2.713 20 5 EFBDHM CC(C)[C@H]1OCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820043488 606427129 /nfs/dbraw/zinc/42/71/29/606427129.db2.gz AHJKWUDHGUVDJY-IUODEOHRSA-N -1 3 346.391 2.638 20 5 EFBDHM CC(C)[C@H]1OCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820043488 606427131 /nfs/dbraw/zinc/42/71/31/606427131.db2.gz AHJKWUDHGUVDJY-IUODEOHRSA-N -1 3 346.391 2.638 20 5 EFBDHM O=[N+]([O-])c1cc(NCCc2c[nH]c3ccccc23)ccc1-c1nnn[n-]1 ZINC000823635211 606644464 /nfs/dbraw/zinc/64/44/64/606644464.db2.gz TZUHXCGJACUQCM-UHFFFAOYSA-N -1 3 349.354 2.911 20 5 EFBDHM Cc1cc(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)ccc1F ZINC000822201072 606644756 /nfs/dbraw/zinc/64/47/56/606644756.db2.gz PQNFHZHVSIVCOX-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM O=[N+]([O-])c1c(Sc2cccc(-c3nnn[n-]3)c2)nc2sccn21 ZINC000823629849 606945654 /nfs/dbraw/zinc/94/56/54/606945654.db2.gz JNFCXLILKDNESR-UHFFFAOYSA-N -1 3 345.369 2.635 20 5 EFBDHM O=[N+]([O-])c1c(Sc2cccc(-c3nn[n-]n3)c2)nc2sccn21 ZINC000823629849 606945655 /nfs/dbraw/zinc/94/56/55/606945655.db2.gz JNFCXLILKDNESR-UHFFFAOYSA-N -1 3 345.369 2.635 20 5 EFBDHM Cc1cn(Cc2cc([N+](=O)[O-])ccc2OC(C)C)cc1-c1nnn[n-]1 ZINC000822384927 607022206 /nfs/dbraw/zinc/02/22/06/607022206.db2.gz VKGJIEMPYZANPZ-UHFFFAOYSA-N -1 3 342.359 2.720 20 5 EFBDHM Cc1cn(Cc2cc([N+](=O)[O-])ccc2OC(C)C)cc1-c1nn[n-]n1 ZINC000822384927 607022207 /nfs/dbraw/zinc/02/22/07/607022207.db2.gz VKGJIEMPYZANPZ-UHFFFAOYSA-N -1 3 342.359 2.720 20 5 EFBDHM CN1CCc2ccc(Nc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])cc21 ZINC000826044507 608587350 /nfs/dbraw/zinc/58/73/50/608587350.db2.gz GWYSQCMQMLJCNJ-UHFFFAOYSA-N -1 3 337.343 2.511 20 5 EFBDHM CN1CCc2ccc(Nc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])cc21 ZINC000826044507 608587351 /nfs/dbraw/zinc/58/73/51/608587351.db2.gz GWYSQCMQMLJCNJ-UHFFFAOYSA-N -1 3 337.343 2.511 20 5 EFBDHM O=[N+]([O-])c1ccc(CCCCNc2cnccc2-c2nnn[n-]2)cc1 ZINC000826498211 608787546 /nfs/dbraw/zinc/78/75/46/608787546.db2.gz LJJGPWLJZMEGPX-UHFFFAOYSA-N -1 3 339.359 2.605 20 5 EFBDHM O=[N+]([O-])c1ccc(CCCCNc2cnccc2-c2nn[n-]n2)cc1 ZINC000826498211 608787547 /nfs/dbraw/zinc/78/75/47/608787547.db2.gz LJJGPWLJZMEGPX-UHFFFAOYSA-N -1 3 339.359 2.605 20 5 EFBDHM O=C(CC1=CCCCC1)NC/C=C\CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107115895 1253466022 /nfs/dbraw/zinc/46/60/22/1253466022.db2.gz TXZZWRGYCXYUEO-PLNGDYQASA-N -1 3 346.387 2.670 20 5 EFBDHM O=C(NC/C=C\CNc1cc[n-]c(=O)c1[N+](=O)[O-])C1=CCCCCC1 ZINC001107166049 1255129697 /nfs/dbraw/zinc/12/96/97/1255129697.db2.gz GJHGFMJTLYWUNM-WAYWQWQTSA-N -1 3 346.387 2.670 20 5 EFBDHM CCCC1(C(=O)NC/C=C/CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCC1 ZINC001107456675 1255872378 /nfs/dbraw/zinc/87/23/78/1255872378.db2.gz RZDBZQHHZCAJBE-ONEGZZNKSA-N -1 3 348.403 2.750 20 5 EFBDHM COc1cc(CNCc2nc3c(s2)CCCC3)c([N+](=O)[O-])cc1[O-] ZINC000922699871 1266613018 /nfs/dbraw/zinc/61/30/18/1266613018.db2.gz ADJUCRACDNXFCQ-UHFFFAOYSA-N -1 3 349.412 2.934 20 5 EFBDHM Cc1c(CN[C@@]2(C(=O)[O-])CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000738201166 1268400007 /nfs/dbraw/zinc/40/00/07/1268400007.db2.gz ALRPRSZFLUETHY-SFHVURJKSA-N -1 3 326.352 2.919 20 5 EFBDHM Cc1ccc(C(=O)N(C)CCCNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC001109439971 1274277104 /nfs/dbraw/zinc/27/71/04/1274277104.db2.gz YFXNVIWDCQIAPJ-UHFFFAOYSA-N -1 3 344.371 2.578 20 5 EFBDHM O=C(NCC1(Nc2ccc([N+](=O)[O-])cc2F)CC1)c1ccccc1[O-] ZINC001110075569 1275095655 /nfs/dbraw/zinc/09/56/55/1275095655.db2.gz DARUGGLXSPSUHH-UHFFFAOYSA-N -1 3 345.330 2.814 20 5 EFBDHM NC(=O)c1ccnc([N-][C@@H](c2ccccc2)C(F)(F)F)c1[N+](=O)[O-] ZINC001170881624 1276351771 /nfs/dbraw/zinc/35/17/71/1276351771.db2.gz RQQIROYYSQZVKR-NSHDSACASA-N -1 3 340.261 2.804 20 5 EFBDHM C/C=C(\C)C(=O)N(C)CC(C)(C)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001113419004 1277788688 /nfs/dbraw/zinc/78/86/88/1277788688.db2.gz OLJOJHWKAOZAJA-IZZDOVSWSA-N -1 3 336.392 2.558 20 5 EFBDHM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000791393607 1278081878 /nfs/dbraw/zinc/08/18/78/1278081878.db2.gz WOORXFJPCPRRDI-UHFFFAOYSA-N -1 3 325.683 2.927 20 5 EFBDHM CCCC(=O)NC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCCC1 ZINC001114136096 1279760432 /nfs/dbraw/zinc/76/04/32/1279760432.db2.gz QNQKSBFOBDZBBJ-UHFFFAOYSA-N -1 3 336.392 2.727 20 5 EFBDHM C/C=C(\C)C(=O)NC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCCC1 ZINC001114156424 1279829142 /nfs/dbraw/zinc/82/91/42/1279829142.db2.gz TZHCGFZUNGQIHX-KGVSQERTSA-N -1 3 348.403 2.893 20 5 EFBDHM O=C(CCCC1CC1)NC[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001091389942 1280506309 /nfs/dbraw/zinc/50/63/09/1280506309.db2.gz DJEMOFFYTMPHGM-BETUJISGSA-N -1 3 348.403 2.582 20 5 EFBDHM CC(C(=O)NC[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1)=C1CCC1 ZINC001091455749 1280751785 /nfs/dbraw/zinc/75/17/85/1280751785.db2.gz SDMHJTAZKMHVMX-AULYBMBSSA-N -1 3 346.387 2.503 20 5 EFBDHM O=C(CCC1CCCCC1)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093611050 1284278049 /nfs/dbraw/zinc/27/80/49/1284278049.db2.gz GYPAZSOOCWHWJB-UHFFFAOYSA-N -1 3 336.392 2.584 20 5 EFBDHM CCc1ccc([N+](=O)[O-])cc1NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000811626520 1284442590 /nfs/dbraw/zinc/44/25/90/1284442590.db2.gz HUEAZDBMECNPHJ-GDNBJRDFSA-N -1 3 337.335 2.880 20 5 EFBDHM CCC(C)(CC)C(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001110153177 1284746683 /nfs/dbraw/zinc/74/66/83/1284746683.db2.gz QGXZJOVAPHZDQR-UHFFFAOYSA-N -1 3 336.392 2.582 20 5 EFBDHM O=C(C=C1CCCCC1)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094323217 1284964741 /nfs/dbraw/zinc/96/47/41/1284964741.db2.gz BINKMLQTRHGXMA-UHFFFAOYSA-N -1 3 334.376 2.504 20 5 EFBDHM Cc1ccc(C(=O)NCCCNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1C ZINC001094417476 1285044743 /nfs/dbraw/zinc/04/47/43/1285044743.db2.gz CGELXYRRUSILPS-UHFFFAOYSA-N -1 3 344.371 2.544 20 5 EFBDHM CC(C)(C)C(C)(C)C(=O)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094725759 1285512722 /nfs/dbraw/zinc/51/27/22/1285512722.db2.gz FVTGWNKIIJKAMJ-UHFFFAOYSA-N -1 3 338.408 2.686 20 5 EFBDHM CCCC(CCC)C(=O)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094739498 1285523839 /nfs/dbraw/zinc/52/38/39/1285523839.db2.gz DOZQXKGEMYPKSW-UHFFFAOYSA-N -1 3 338.408 2.830 20 5 EFBDHM C/C=C(\C)C(=O)NCCCCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094944530 1286249446 /nfs/dbraw/zinc/24/94/46/1286249446.db2.gz OXDPZBTXVSFYPC-KGVSQERTSA-N -1 3 336.392 2.750 20 5 EFBDHM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000817238791 1288481042 /nfs/dbraw/zinc/48/10/42/1288481042.db2.gz MJRSKCDPDKYRPZ-UHFFFAOYSA-N -1 3 343.339 2.942 20 5 EFBDHM O=C([N-]OCC1CC1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000817335235 1288556047 /nfs/dbraw/zinc/55/60/47/1288556047.db2.gz ZFULOZBRXCJKJR-UHFFFAOYSA-N -1 3 333.113 2.568 20 5 EFBDHM COc1cc(F)cc(-c2noc(-c3cc([N+](=O)[O-])c[n-]c3=O)n2)c1 ZINC001212937088 1290904349 /nfs/dbraw/zinc/90/43/49/1290904349.db2.gz MKURDPWNVZYSEX-UHFFFAOYSA-N -1 3 332.247 2.560 20 5 EFBDHM Cc1c(F)cc(-c2noc(-c3cc([N+](=O)[O-])c[n-]c3=O)n2)cc1F ZINC001212937015 1290904940 /nfs/dbraw/zinc/90/49/40/1290904940.db2.gz JPEARMIWMMSPSQ-UHFFFAOYSA-N -1 3 334.238 2.999 20 5 EFBDHM CCCC1(C(=O)N[C@H]2C[C@H](CNc3cc[n-]c(=O)c3[N+](=O)[O-])C2)CC1 ZINC001114815999 1292393762 /nfs/dbraw/zinc/39/37/62/1292393762.db2.gz NRPUHWNQWQHHOR-HAQNSBGRSA-N -1 3 348.403 2.582 20 5 EFBDHM COC(=O)[C@@H]1CCC[C@@H]1Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233498225 1312943619 /nfs/dbraw/zinc/94/36/19/1312943619.db2.gz KOZXNPZKZVQZOC-KRTXAFLBSA-N -1 3 339.735 2.845 20 5 EFBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CCCC(F)(F)C2)cs1 ZINC000800147330 1293932252 /nfs/dbraw/zinc/93/22/52/1293932252.db2.gz RNNQSCFGZMYLHZ-MRVPVSSYSA-N -1 3 340.373 2.760 20 5 EFBDHM Cn1cc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)c(C(F)(F)F)n1 ZINC000097026318 1294618064 /nfs/dbraw/zinc/61/80/64/1294618064.db2.gz GEMWWRHZLIUTQN-UHFFFAOYSA-N -1 3 332.213 2.739 20 5 EFBDHM COc1ccc(F)c(-c2noc(-c3c[n-]c(=O)c([N+](=O)[O-])c3)n2)c1 ZINC001212844360 1295543343 /nfs/dbraw/zinc/54/33/43/1295543343.db2.gz PKZGFFMSIGXERF-UHFFFAOYSA-N -1 3 332.247 2.560 20 5 EFBDHM O=[N+]([O-])c1cc(O)cc(Nc2nc(Br)ccc2[O-])c1 ZINC001199802262 1295760181 /nfs/dbraw/zinc/76/01/81/1295760181.db2.gz NDMPOSUIRQFDDB-UHFFFAOYSA-N -1 3 326.106 2.907 20 5 EFBDHM O=[N+]([O-])c1cc([O-])cc(Nc2nc(Br)ccc2O)c1 ZINC001199802262 1295760195 /nfs/dbraw/zinc/76/01/95/1295760195.db2.gz NDMPOSUIRQFDDB-UHFFFAOYSA-N -1 3 326.106 2.907 20 5 EFBDHM CN1CCC(Oc2cc([O-])cc3oc4ccc(O)cc4c(=O)c23)CC1 ZINC001234745600 1313188077 /nfs/dbraw/zinc/18/80/77/1313188077.db2.gz VMUJKWZEBYXTOV-UHFFFAOYSA-N -1 3 341.363 2.830 20 5 EFBDHM O=[N+]([O-])c1cc(Br)cc([O-])c1O[C@@H]1CN2CCC1CC2 ZINC001234875248 1313201823 /nfs/dbraw/zinc/20/18/23/1313201823.db2.gz FPTANNZUONGDEU-GFCCVEGCSA-N -1 3 343.177 2.536 20 5 EFBDHM CS(=O)(=O)c1cc(F)ccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201229163 1296637865 /nfs/dbraw/zinc/63/78/65/1296637865.db2.gz FWSBJZINUPHAFI-UHFFFAOYSA-N -1 3 326.305 2.587 20 5 EFBDHM CCn1nnc(-c2ccccc2Nc2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC001201231459 1296638698 /nfs/dbraw/zinc/63/86/98/1296638698.db2.gz IWZIZQIVRRSSTR-UHFFFAOYSA-N -1 3 326.316 2.717 20 5 EFBDHM COC(=O)c1cccc(C(=O)OC)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201222000 1296669490 /nfs/dbraw/zinc/66/94/90/1296669490.db2.gz HWORNSFUEGWLRQ-UHFFFAOYSA-N -1 3 346.295 2.617 20 5 EFBDHM Cc1ncccc1-c1noc(-c2[n-]nc(C(F)(F)F)c2[N+](=O)[O-])n1 ZINC001212972919 1297325090 /nfs/dbraw/zinc/32/50/90/1297325090.db2.gz MDVDDBCZPHIMCF-UHFFFAOYSA-N -1 3 340.221 2.757 20 5 EFBDHM CCOC(Cc1c(=O)[n-]cnc1Nc1ccccc1[N+](=O)[O-])OCC ZINC001206144714 1313411054 /nfs/dbraw/zinc/41/10/54/1313411054.db2.gz QBHJZAPTQUJMCY-UHFFFAOYSA-N -1 3 348.359 2.776 20 5 EFBDHM O=[N+]([O-])c1ccccc1[N-]c1ncnc2c1ncn2[C@H]1CCCO1 ZINC001206150286 1313411601 /nfs/dbraw/zinc/41/16/01/1313411601.db2.gz MFYAYUCVOJCWQZ-GFCCVEGCSA-N -1 3 326.316 2.787 20 5 EFBDHM O=c1[n-]ccc(N2CCC([C@H](O)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000853127148 1300017196 /nfs/dbraw/zinc/01/71/96/1300017196.db2.gz SYTJOIACKAEBQF-MRXNPFEDSA-N -1 3 329.356 2.645 20 5 EFBDHM C[C@H](C[C@H](C)Nc1cc[n-]c(=O)c1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000853707518 1300239324 /nfs/dbraw/zinc/23/93/24/1300239324.db2.gz KVZJYSBRGOZQAM-VHSXEESVSA-N -1 3 340.380 2.799 20 5 EFBDHM O=C(Nc1ccc2c(c1)[C@H](O)CCCC2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000855550541 1301011525 /nfs/dbraw/zinc/01/15/25/1301011525.db2.gz OFVLRLPDUQWSAN-OAHLLOKOSA-N -1 3 343.339 2.708 20 5 EFBDHM CCC(CC)CC(=O)N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001097059813 1313840089 /nfs/dbraw/zinc/84/00/89/1313840089.db2.gz IXXXWCQRVCLLOM-HAQNSBGRSA-N -1 3 336.392 2.581 20 5 EFBDHM CCCCC1(C(=O)N[C@H]2C[C@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)CC1 ZINC001097097762 1313850616 /nfs/dbraw/zinc/85/06/16/1313850616.db2.gz RXVGQYQDEKOCSO-HAQNSBGRSA-N -1 3 348.403 2.725 20 5 EFBDHM CCCC(C)(C)C(=O)N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001097097716 1313850794 /nfs/dbraw/zinc/85/07/94/1313850794.db2.gz PFVTUWUFDPQAHV-XYPYZODXSA-N -1 3 336.392 2.581 20 5 EFBDHM COCc1nc(C)c(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)s1 ZINC000120269131 1303064558 /nfs/dbraw/zinc/06/45/58/1303064558.db2.gz LAAYXQXMIZPLPT-UHFFFAOYSA-N -1 3 325.321 2.898 20 5 EFBDHM COC(=O)c1cc([O-])c(F)cc1Nc1cc([N+](=O)[O-])ccc1OC ZINC001210447736 1314335704 /nfs/dbraw/zinc/33/57/04/1314335704.db2.gz KZKZMTKOVHSERA-UHFFFAOYSA-N -1 3 336.275 2.978 20 5 EFBDHM CC/C(C)=C/C(=O)NC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC1 ZINC001103426432 1311357929 /nfs/dbraw/zinc/35/79/29/1311357929.db2.gz VZDDLNRISRULLE-ZRDIBKRKSA-N -1 3 348.403 2.893 20 5 EFBDHM O=[N+]([O-])c1c([O-])ccnc1OC[C@@H]1CCC(c2ccccc2)=NO1 ZINC001225664768 1311561797 /nfs/dbraw/zinc/56/17/97/1311561797.db2.gz SZALWZBACRKVED-LBPRGKRZSA-N -1 3 329.312 2.658 20 5 EFBDHM C[C@H](COc1ccccc1)OCCCOc1nccc([O-])c1[N+](=O)[O-] ZINC001225663278 1311562012 /nfs/dbraw/zinc/56/20/12/1311562012.db2.gz BQUNIRYKVZLAMA-CYBMUJFWSA-N -1 3 348.355 2.948 20 5 EFBDHM COc1cnc(=O)[n-]c1O[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001226827596 1311729467 /nfs/dbraw/zinc/72/94/67/1311729467.db2.gz HYBMVMKQUZDITK-JTQLQIEISA-N -1 3 345.233 2.781 20 5 EFBDHM CC(=O)[C@@H](Oc1[n-]c(=O)nc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC001227096239 1311761751 /nfs/dbraw/zinc/76/17/51/1311761751.db2.gz NGECANPTGIXUNG-OAHLLOKOSA-N -1 3 339.307 2.953 20 5 EFBDHM Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1cc(=O)cc(C(F)(F)F)[n-]1 ZINC001227586089 1311825131 /nfs/dbraw/zinc/82/51/31/1311825131.db2.gz IBGNLMTXEZKLQC-SSDOTTSWSA-N -1 3 346.265 2.687 20 5 EFBDHM C[C@@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)c1ccccc1[N+](=O)[O-] ZINC001227690989 1311840148 /nfs/dbraw/zinc/84/01/48/1311840148.db2.gz LQBGRIAIBNIHFI-MRVPVSSYSA-N -1 3 329.272 2.914 20 5 EFBDHM COC(=O)c1ccc([C@@H](C)Oc2ncc([N+](=O)[O-])c3nc[n-]c32)cc1 ZINC001227693069 1311840330 /nfs/dbraw/zinc/84/03/30/1311840330.db2.gz KCDWMCIKKGYOBQ-SECBINFHSA-N -1 3 342.311 2.793 20 5 EFBDHM CC(C)C[C@@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)C(=O)OC(C)C ZINC001227693183 1311840583 /nfs/dbraw/zinc/84/05/83/1311840583.db2.gz NNFHZAKMYINURY-LLVKDONJSA-N -1 3 336.348 2.611 20 5 EFBDHM CCOC(=O)C[C@@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)C(F)(F)F ZINC001227744030 1311848330 /nfs/dbraw/zinc/84/83/30/1311848330.db2.gz CSBVEQKXIIAYNX-SNVBAGLBSA-N -1 3 347.249 2.734 20 5 EFBDHM CCOC(=O)C[C@@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)C(F)(F)F ZINC001227744030 1311848332 /nfs/dbraw/zinc/84/83/32/1311848332.db2.gz CSBVEQKXIIAYNX-SNVBAGLBSA-N -1 3 347.249 2.734 20 5 EFBDHM O=[N+]([O-])c1ccc2c(c1)C[C@H](Oc1nc3ccc([N+](=O)[O-])cc3[n-]1)C2 ZINC001227741351 1311848514 /nfs/dbraw/zinc/84/85/14/1311848514.db2.gz MYWOCWFOYDNZJL-CYBMUJFWSA-N -1 3 340.295 2.926 20 5 EFBDHM O=[N+]([O-])c1ccc2c(c1)C[C@H](Oc1nc3cc([N+](=O)[O-])ccc3[n-]1)C2 ZINC001227741351 1311848518 /nfs/dbraw/zinc/84/85/18/1311848518.db2.gz MYWOCWFOYDNZJL-CYBMUJFWSA-N -1 3 340.295 2.926 20 5 EFBDHM CCOC(=O)[C@H]1CCC[C@@H]1Oc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1 ZINC001228673303 1311979373 /nfs/dbraw/zinc/97/93/73/1311979373.db2.gz FOZRRHFHPNRHKO-HZMBPMFUSA-N -1 3 333.344 2.890 20 5 EFBDHM CCOC(=O)N1CCC[C@H](Oc2nc3cc([N+](=O)[O-])c(C)cc3[n-]2)C1 ZINC001228674617 1311979901 /nfs/dbraw/zinc/97/99/01/1311979901.db2.gz KCWJVHHEYPGQGX-NSHDSACASA-N -1 3 348.359 2.779 20 5 EFBDHM CCN1CCC[C@H](Oc2[n-]c(C(F)(F)F)cc(=O)c2[N+](=O)[O-])C1 ZINC001228860007 1312011322 /nfs/dbraw/zinc/01/13/22/1312011322.db2.gz QMAVCEIVHVSXST-QMMMGPOBSA-N -1 3 335.282 2.577 20 5 EFBDHM Cc1ncc(Nc2cc(Cl)nc3ccc([N+](=O)[O-])cc32)c(=O)[n-]1 ZINC001162303769 1312084812 /nfs/dbraw/zinc/08/48/12/1312084812.db2.gz WYRXGVLFYQCFCR-LBPRGKRZSA-N -1 3 331.719 2.606 20 5 EFBDHM Cc1ccnc(N2CCC(Oc3nc(C)cc([O-])c3[N+](=O)[O-])CC2)c1 ZINC001231264903 1312468005 /nfs/dbraw/zinc/46/80/05/1312468005.db2.gz VRVAFNAMFRUDJV-UHFFFAOYSA-N -1 3 344.371 2.755 20 5 EFBDHM O=c1[nH][n-]cc1CCCNc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC001164375924 1312503989 /nfs/dbraw/zinc/50/39/89/1312503989.db2.gz XPYWTFHRNIVBOB-MRVPVSSYSA-N -1 3 330.266 2.538 20 5 EFBDHM CC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCN(C(=O)C2=CCCC2)CC1 ZINC001067254084 1314877150 /nfs/dbraw/zinc/87/71/50/1314877150.db2.gz ASSZEIPRPDVLKN-UHFFFAOYSA-N -1 3 346.387 2.599 20 5 EFBDHM Cc1cnccc1-c1noc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2)n1 ZINC001248001081 1314880334 /nfs/dbraw/zinc/88/03/34/1314880334.db2.gz YIKJIRPGZUWOKF-UHFFFAOYSA-N -1 3 325.284 2.601 20 5 EFBDHM Nc1ccccc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1Cl ZINC001248608079 1314947762 /nfs/dbraw/zinc/94/77/62/1314947762.db2.gz RKEPQAWNKPXZKE-UHFFFAOYSA-N -1 3 327.749 2.631 20 5 EFBDHM O=[N+]([O-])c1cc2[n-]c(O[C@H]3CCNCC3(F)F)nc2cc1Cl ZINC001218012072 1315133220 /nfs/dbraw/zinc/13/32/20/1315133220.db2.gz LRRQRYWZFCEQKX-JTQLQIEISA-N -1 3 332.694 2.501 20 5 EFBDHM O=[N+]([O-])c1cc2nc(O[C@H]3CCNCC3(F)F)[n-]c2cc1Cl ZINC001218012072 1315133222 /nfs/dbraw/zinc/13/32/22/1315133222.db2.gz LRRQRYWZFCEQKX-JTQLQIEISA-N -1 3 332.694 2.501 20 5 EFBDHM O=[N+]([O-])c1cc2[n-]c(O[C@H]3CNCC(F)(F)C3)nc2cc1Cl ZINC001218278111 1315173769 /nfs/dbraw/zinc/17/37/69/1315173769.db2.gz ITSGJSNHDRZNNT-ZCFIWIBFSA-N -1 3 332.694 2.501 20 5 EFBDHM O=[N+]([O-])c1cc2nc(O[C@H]3CNCC(F)(F)C3)[n-]c2cc1Cl ZINC001218278111 1315173773 /nfs/dbraw/zinc/17/37/73/1315173773.db2.gz ITSGJSNHDRZNNT-ZCFIWIBFSA-N -1 3 332.694 2.501 20 5 EFBDHM CC1(C(=O)N2CCC(C)(Nc3cc[n-]c(=O)c3[N+](=O)[O-])CC2)CCC1 ZINC001067285698 1315460812 /nfs/dbraw/zinc/46/08/12/1315460812.db2.gz FFPVYUVWJHSCQI-UHFFFAOYSA-N -1 3 348.403 2.679 20 5 EFBDHM COc1c([O-])ccc(CN2CCOc3cccc(F)c3C2)c1[N+](=O)[O-] ZINC000894269662 721830838 /nfs/dbraw/zinc/83/08/38/721830838.db2.gz UXZTYQYQOUHCSI-UHFFFAOYSA-N -1 3 348.330 2.843 20 5 EFBDHM O=C1[N-]C(=O)C(=CNc2cc([N+](=O)[O-])ccc2Cl)c2ccccc21 ZINC000016719303 721857477 /nfs/dbraw/zinc/85/74/77/721857477.db2.gz ZJYVNNDQDLRUSE-XYOKQWHBSA-N -1 3 343.726 2.971 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@H](NC(=O)c3ccccc3[O-])C2)c1 ZINC001059153375 722662244 /nfs/dbraw/zinc/66/22/44/722662244.db2.gz MNOOONGSQLHDRB-JOCQHMNTSA-N -1 3 341.367 2.982 20 5 EFBDHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000007357336 723435006 /nfs/dbraw/zinc/43/50/06/723435006.db2.gz ABKKKKGGTXWENR-UHFFFAOYSA-N -1 3 335.385 2.930 20 5 EFBDHM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1)C1CCC1 ZINC001059776721 725593653 /nfs/dbraw/zinc/59/36/53/725593653.db2.gz SKYSPBHDRCUVKP-TXEJJXNPSA-N -1 3 348.403 2.581 20 5 EFBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccnc1Cl ZINC000032586077 727133840 /nfs/dbraw/zinc/13/38/40/727133840.db2.gz HQHPSCIAAVSLMR-UHFFFAOYSA-N -1 3 327.749 2.752 20 5 EFBDHM O=C([N-]c1nc2ccc(F)cn2n1)c1cc([N+](=O)[O-])ccc1Cl ZINC000174474575 728666963 /nfs/dbraw/zinc/66/69/63/728666963.db2.gz YJDNCWRMOZJZKL-UHFFFAOYSA-N -1 3 335.682 2.682 20 5 EFBDHM CC(C)[C@H]1CCC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001574088844 948938368 /nfs/dbraw/zinc/93/83/68/948938368.db2.gz FGLZFNKMXJOGDS-CMPLNLGQSA-N -1 3 331.380 2.797 20 5 EFBDHM CC(C)[C@H]1CCC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001574088844 948938378 /nfs/dbraw/zinc/93/83/78/948938378.db2.gz FGLZFNKMXJOGDS-CMPLNLGQSA-N -1 3 331.380 2.797 20 5 EFBDHM CC(C)C1CCC(Nc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)CC1 ZINC001574092695 949073707 /nfs/dbraw/zinc/07/37/07/949073707.db2.gz SHGHLRQWGRQKSB-UHFFFAOYSA-N -1 3 345.407 2.984 20 5 EFBDHM CC(C)C1CCC(Nc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)CC1 ZINC001574092695 949073724 /nfs/dbraw/zinc/07/37/24/949073724.db2.gz SHGHLRQWGRQKSB-UHFFFAOYSA-N -1 3 345.407 2.984 20 5 EFBDHM O=C([O-])CCCCNCc1cc(Br)c([N+](=O)[O-])s1 ZINC001595046127 951441118 /nfs/dbraw/zinc/44/11/18/951441118.db2.gz UVASHBKNVNBHPE-UHFFFAOYSA-N -1 3 337.195 2.763 20 5 EFBDHM O=C([O-])[C@H]1C[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000849231640 955780372 /nfs/dbraw/zinc/78/03/72/955780372.db2.gz DFMSPNJGYUVNPW-XYPYZODXSA-N -1 3 333.369 2.671 20 5 EFBDHM C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589131911 956205474 /nfs/dbraw/zinc/20/54/74/956205474.db2.gz IFTLQXUTHZZEHM-ADEWGFFLSA-N -1 3 347.371 2.961 20 5 EFBDHM CC[C@H](CNCc1c(Br)cccc1[N+](=O)[O-])C(=O)[O-] ZINC001603573327 973705330 /nfs/dbraw/zinc/70/53/30/973705330.db2.gz KFFQMXIPSNFDBL-MRVPVSSYSA-N -1 3 331.166 2.558 20 5 EFBDHM O=C([O-])C1=CC[C@H](NCc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000901733575 980470585 /nfs/dbraw/zinc/47/05/85/980470585.db2.gz SPIDNSCNTWMAON-ZETCQYMHSA-N -1 3 347.190 2.682 20 5 EFBDHM Cc1c(CN2CC[C@H](C(=O)[O-])C[C@@H]2[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000903942250 981064193 /nfs/dbraw/zinc/06/41/93/981064193.db2.gz BDYNVVGLYDAEIM-XKQJLSEDSA-N -1 3 348.399 2.747 20 5 EFBDHM Cc1c(CN2CC[C@H](C(=O)[O-])C[C@H]2[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000903942248 981064232 /nfs/dbraw/zinc/06/42/32/981064232.db2.gz BDYNVVGLYDAEIM-JQFCIGGWSA-N -1 3 348.399 2.747 20 5 EFBDHM CC([C@@H](OC(=O)c1ccc(C(=O)[O-])o1)c1ccccc1F)[N+](=O)[O-] ZINC001589552356 987286317 /nfs/dbraw/zinc/28/63/17/987286317.db2.gz FIPYCTAIXFDWAG-AMIZOPFISA-N -1 3 337.259 2.680 20 5 EFBDHM C[C@@](NCc1ccc2c(c1)COC2)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593303309 994733476 /nfs/dbraw/zinc/73/34/76/994733476.db2.gz AXYXKOKJKPOHDO-SFHVURJKSA-N -1 3 342.351 2.715 20 5 EFBDHM C[C@@]1(C(=O)[O-])CCCN(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC001593779373 996489581 /nfs/dbraw/zinc/48/95/81/996489581.db2.gz YJISWRHRMJTLKN-QGZVFWFLSA-N -1 3 344.371 2.603 20 5 EFBDHM CO[C@@]1(C(=O)[O-])CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001599079489 996962301 /nfs/dbraw/zinc/96/23/01/996962301.db2.gz SJVNZGPZGXVZLQ-KRWDZBQOSA-N -1 3 346.339 2.530 20 5 EFBDHM COc1cc(CN(C2CC2)C2(C(=O)[O-])CCC2)c([N+](=O)[O-])cc1F ZINC001599405071 997282629 /nfs/dbraw/zinc/28/26/29/997282629.db2.gz LAOQKKYTYBTPGT-UHFFFAOYSA-N -1 3 338.335 2.714 20 5 EFBDHM CC1(C)CC[C@H](CCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)OC1 ZINC001575663480 1088618464 /nfs/dbraw/zinc/61/84/64/1088618464.db2.gz AIKBCHGRLLIJIF-GFCCVEGCSA-N -1 3 346.391 2.782 20 5 EFBDHM CC1(C)CC[C@H](CCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)OC1 ZINC001575663480 1088618472 /nfs/dbraw/zinc/61/84/72/1088618472.db2.gz AIKBCHGRLLIJIF-GFCCVEGCSA-N -1 3 346.391 2.782 20 5 EFBDHM CC1(C)CCC(O)(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001575667366 1088620347 /nfs/dbraw/zinc/62/03/47/1088620347.db2.gz ALQZJFXICWZXGX-UHFFFAOYSA-N -1 3 346.391 2.518 20 5 EFBDHM CC1(C)CCC(O)(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001575667366 1088620358 /nfs/dbraw/zinc/62/03/58/1088620358.db2.gz ALQZJFXICWZXGX-UHFFFAOYSA-N -1 3 346.391 2.518 20 5 EFBDHM Cc1cc2n[nH]cc2cc1Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001581044834 1091065313 /nfs/dbraw/zinc/06/53/13/1091065313.db2.gz RIDALFQKCPCMGV-UHFFFAOYSA-N -1 3 336.315 2.703 20 5 EFBDHM Cc1cc(Sc2cccc(O)c2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001581044703 1091065557 /nfs/dbraw/zinc/06/55/57/1091065557.db2.gz LLVOKLQEWNQVCG-UHFFFAOYSA-N -1 3 329.341 2.940 20 5 EFBDHM Cc1cc(Sc2cccc(O)c2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001581044703 1091065564 /nfs/dbraw/zinc/06/55/64/1091065564.db2.gz LLVOKLQEWNQVCG-UHFFFAOYSA-N -1 3 329.341 2.940 20 5 EFBDHM Cc1ccc(SCc2cccnc2[N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001581214015 1091095044 /nfs/dbraw/zinc/09/50/44/1091095044.db2.gz WDPPZDVQGOYITE-UHFFFAOYSA-N -1 3 328.357 2.771 20 5 EFBDHM Cc1ccc(SCc2cccnc2[N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001581214015 1091095049 /nfs/dbraw/zinc/09/50/49/1091095049.db2.gz WDPPZDVQGOYITE-UHFFFAOYSA-N -1 3 328.357 2.771 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(NCCC[C@@H]2C=CCC2)c1-c1nnn[n-]1 ZINC001581909863 1091333500 /nfs/dbraw/zinc/33/35/00/1091333500.db2.gz YCAPTHCMRNQNRI-SNVBAGLBSA-N -1 3 329.364 2.515 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(NCCC[C@@H]2C=CCC2)c1-c1nn[n-]n1 ZINC001581909863 1091333514 /nfs/dbraw/zinc/33/35/14/1091333514.db2.gz YCAPTHCMRNQNRI-SNVBAGLBSA-N -1 3 329.364 2.515 20 5 EFBDHM O=[N+]([O-])c1cc(F)ccc1CSc1ccncc1-c1nnn[n-]1 ZINC001582803658 1091668340 /nfs/dbraw/zinc/66/83/40/1091668340.db2.gz PJDOIMGPEPPEND-UHFFFAOYSA-N -1 3 332.320 2.601 20 5 EFBDHM O=[N+]([O-])c1cc(F)ccc1CSc1ccncc1-c1nn[n-]n1 ZINC001582803658 1091668346 /nfs/dbraw/zinc/66/83/46/1091668346.db2.gz PJDOIMGPEPPEND-UHFFFAOYSA-N -1 3 332.320 2.601 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CCC=C(c2ccco2)C1 ZINC001582804301 1091668621 /nfs/dbraw/zinc/66/86/21/1091668621.db2.gz QNMHRZVFAKYELK-UHFFFAOYSA-N -1 3 338.327 2.662 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CCC=C(c2ccco2)C1 ZINC001582804301 1091668623 /nfs/dbraw/zinc/66/86/23/1091668623.db2.gz QNMHRZVFAKYELK-UHFFFAOYSA-N -1 3 338.327 2.662 20 5 EFBDHM O=[N+]([O-])c1ccc(F)cc1CSc1ccncc1-c1nnn[n-]1 ZINC001582803955 1091669146 /nfs/dbraw/zinc/66/91/46/1091669146.db2.gz DVBWXIXGKXSXIZ-UHFFFAOYSA-N -1 3 332.320 2.601 20 5 EFBDHM O=[N+]([O-])c1ccc(F)cc1CSc1ccncc1-c1nn[n-]n1 ZINC001582803955 1091669149 /nfs/dbraw/zinc/66/91/49/1091669149.db2.gz DVBWXIXGKXSXIZ-UHFFFAOYSA-N -1 3 332.320 2.601 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NC[C@@H]1CCC=CCCC1 ZINC001582803649 1091669237 /nfs/dbraw/zinc/66/92/37/1091669237.db2.gz PGCOUIVPVXUQLV-LLVKDONJSA-N -1 3 329.364 2.718 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NC[C@@H]1CCC=CCCC1 ZINC001582803649 1091669243 /nfs/dbraw/zinc/66/92/43/1091669243.db2.gz PGCOUIVPVXUQLV-LLVKDONJSA-N -1 3 329.364 2.718 20 5 EFBDHM O=[N+]([O-])c1ccc(SCc2cncc(-c3nnn[n-]3)c2)c(F)c1 ZINC001582804647 1091669993 /nfs/dbraw/zinc/66/99/93/1091669993.db2.gz XNYNUPWKSYSSTM-UHFFFAOYSA-N -1 3 332.320 2.601 20 5 EFBDHM O=[N+]([O-])c1ccc(SCc2cncc(-c3nn[n-]n3)c2)c(F)c1 ZINC001582804647 1091669997 /nfs/dbraw/zinc/66/99/97/1091669997.db2.gz XNYNUPWKSYSSTM-UHFFFAOYSA-N -1 3 332.320 2.601 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CCC2(C1)CCCCC2 ZINC001582804721 1091670638 /nfs/dbraw/zinc/67/06/38/1091670638.db2.gz ZVSBDUFKIGDUSM-UHFFFAOYSA-N -1 3 328.376 2.936 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CCC2(C1)CCCCC2 ZINC001582804721 1091670642 /nfs/dbraw/zinc/67/06/42/1091670642.db2.gz ZVSBDUFKIGDUSM-UHFFFAOYSA-N -1 3 328.376 2.936 20 5 EFBDHM CC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC001588878595 1092999961 /nfs/dbraw/zinc/99/99/61/1092999961.db2.gz KHLKOKHFJNZYLE-UHFFFAOYSA-N -1 3 340.299 2.526 20 5 EFBDHM CC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC001588878595 1092999965 /nfs/dbraw/zinc/99/99/65/1092999965.db2.gz KHLKOKHFJNZYLE-UHFFFAOYSA-N -1 3 340.299 2.526 20 5 EFBDHM CC(=O)c1ccc([N+](=O)[O-])cc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC001588917561 1093010693 /nfs/dbraw/zinc/01/06/93/1093010693.db2.gz RGWSJEZOEQELLE-UHFFFAOYSA-N -1 3 338.327 2.590 20 5 EFBDHM CC(=O)c1ccc([N+](=O)[O-])cc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC001588917561 1093010700 /nfs/dbraw/zinc/01/07/00/1093010700.db2.gz RGWSJEZOEQELLE-UHFFFAOYSA-N -1 3 338.327 2.590 20 5 EFBDHM CC(=O)c1ccc(OCc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC001588917592 1093011869 /nfs/dbraw/zinc/01/18/69/1093011869.db2.gz UFIWWELGYNKWAJ-UHFFFAOYSA-N -1 3 339.311 2.557 20 5 EFBDHM CC(=O)c1ccc(OCc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC001588917592 1093011877 /nfs/dbraw/zinc/01/18/77/1093011877.db2.gz UFIWWELGYNKWAJ-UHFFFAOYSA-N -1 3 339.311 2.557 20 5 EFBDHM CC(=O)c1ccccc1OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001588922752 1093014195 /nfs/dbraw/zinc/01/41/95/1093014195.db2.gz CODZXNHVSORLAU-UHFFFAOYSA-N -1 3 339.311 2.557 20 5 EFBDHM CC(=O)c1ccccc1OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001588922752 1093014202 /nfs/dbraw/zinc/01/42/02/1093014202.db2.gz CODZXNHVSORLAU-UHFFFAOYSA-N -1 3 339.311 2.557 20 5 EFBDHM CC(C)(C)OC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001589199084 1093047002 /nfs/dbraw/zinc/04/70/02/1093047002.db2.gz VYZJZOJREVLDET-LBPRGKRZSA-N -1 3 346.391 2.559 20 5 EFBDHM CC(C)[C@H]1OCCC[C@@H]1CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589520944 1093103053 /nfs/dbraw/zinc/10/30/53/1093103053.db2.gz LTNCEWORXLENIJ-IAQYHMDHSA-N -1 3 346.391 2.638 20 5 EFBDHM CC(C)[C@H]1OCCC[C@@H]1CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589520944 1093103056 /nfs/dbraw/zinc/10/30/56/1093103056.db2.gz LTNCEWORXLENIJ-IAQYHMDHSA-N -1 3 346.391 2.638 20 5 EFBDHM C[C@@H](CCc1ccccc1)Nc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589837494 1093157731 /nfs/dbraw/zinc/15/77/31/1093157731.db2.gz XMBMRNKOZXEVGC-NSHDSACASA-N -1 3 339.359 2.603 20 5 EFBDHM C[C@@H](CCc1ccccc1)Nc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589837494 1093157738 /nfs/dbraw/zinc/15/77/38/1093157738.db2.gz XMBMRNKOZXEVGC-NSHDSACASA-N -1 3 339.359 2.603 20 5 EFBDHM C[C@@H](CCc1cccn1C)Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589837113 1093158345 /nfs/dbraw/zinc/15/83/45/1093158345.db2.gz VCRSYIFAFGGGQD-NSHDSACASA-N -1 3 341.375 2.547 20 5 EFBDHM C[C@@H](CCc1cccn1C)Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589837113 1093158348 /nfs/dbraw/zinc/15/83/48/1093158348.db2.gz VCRSYIFAFGGGQD-NSHDSACASA-N -1 3 341.375 2.547 20 5 EFBDHM C[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)CC(F)(F)F ZINC001589877082 1093163343 /nfs/dbraw/zinc/16/33/43/1093163343.db2.gz KBJYVSLIHWDZQW-SSDOTTSWSA-N -1 3 330.270 2.775 20 5 EFBDHM C[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)CC(F)(F)F ZINC001589877082 1093163347 /nfs/dbraw/zinc/16/33/47/1093163347.db2.gz KBJYVSLIHWDZQW-SSDOTTSWSA-N -1 3 330.270 2.775 20 5 EFBDHM C[C@@H](Cc1ccccc1F)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001589899113 1093173028 /nfs/dbraw/zinc/17/30/28/1093173028.db2.gz DXYGXECYMMFVOU-JTQLQIEISA-N -1 3 342.334 2.957 20 5 EFBDHM C[C@H](Cc1ccsc1)N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589902267 1093174217 /nfs/dbraw/zinc/17/42/17/1093174217.db2.gz LOZSFGZYUDRUES-SNVBAGLBSA-N -1 3 344.400 2.904 20 5 EFBDHM C[C@H](Cc1ccsc1)N(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589902267 1093174221 /nfs/dbraw/zinc/17/42/21/1093174221.db2.gz LOZSFGZYUDRUES-SNVBAGLBSA-N -1 3 344.400 2.904 20 5 EFBDHM C[C@@H](N[C@@H](C)c1cc(-c2nnn[n-]2)ccn1)c1ccccc1[N+](=O)[O-] ZINC001589973558 1093204593 /nfs/dbraw/zinc/20/45/93/1093204593.db2.gz FXQBPLYSNAOTEA-MNOVXSKESA-N -1 3 339.359 2.582 20 5 EFBDHM C[C@@H](N[C@@H](C)c1cc(-c2nn[n-]n2)ccn1)c1ccccc1[N+](=O)[O-] ZINC001589973558 1093204597 /nfs/dbraw/zinc/20/45/97/1093204597.db2.gz FXQBPLYSNAOTEA-MNOVXSKESA-N -1 3 339.359 2.582 20 5 EFBDHM CC1(C)CC[C@@H](CCNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])OC1 ZINC001590089388 1093259952 /nfs/dbraw/zinc/25/99/52/1093259952.db2.gz NSCZIVINTSMQEX-NSHDSACASA-N -1 3 346.391 2.782 20 5 EFBDHM CC1(C)CC[C@@H](CCNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])OC1 ZINC001590089388 1093259958 /nfs/dbraw/zinc/25/99/58/1093259958.db2.gz NSCZIVINTSMQEX-NSHDSACASA-N -1 3 346.391 2.782 20 5 EFBDHM CC1(C)CCC[C@H](CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)O1 ZINC001590093808 1093265166 /nfs/dbraw/zinc/26/51/66/1093265166.db2.gz NDRPRDBDXKPXTE-LLVKDONJSA-N -1 3 332.364 2.535 20 5 EFBDHM CC1(C)CCC[C@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)O1 ZINC001590093808 1093265170 /nfs/dbraw/zinc/26/51/70/1093265170.db2.gz NDRPRDBDXKPXTE-LLVKDONJSA-N -1 3 332.364 2.535 20 5 EFBDHM CC1(C)CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@@H]2CCC[C@@H]21 ZINC001590108009 1093271086 /nfs/dbraw/zinc/27/10/86/1093271086.db2.gz LZDUFXLLANNINE-GXTWGEPZSA-N -1 3 328.376 2.790 20 5 EFBDHM CC1(C)CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@@H]2CCC[C@@H]21 ZINC001590108009 1093271092 /nfs/dbraw/zinc/27/10/92/1093271092.db2.gz LZDUFXLLANNINE-GXTWGEPZSA-N -1 3 328.376 2.790 20 5 EFBDHM CC1(C2CC2)CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC001590121981 1093276769 /nfs/dbraw/zinc/27/67/69/1093276769.db2.gz JVQFOKURWDNZMW-UHFFFAOYSA-N -1 3 328.376 2.791 20 5 EFBDHM C[C@@H]1CC(CCNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC001590190081 1093298019 /nfs/dbraw/zinc/29/80/19/1093298019.db2.gz OEFIUIZAXSGFRA-GHMZBOCLSA-N -1 3 346.391 2.781 20 5 EFBDHM C[C@@H]1CC(CCNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC001590190081 1093298029 /nfs/dbraw/zinc/29/80/29/1093298029.db2.gz OEFIUIZAXSGFRA-GHMZBOCLSA-N -1 3 346.391 2.781 20 5 EFBDHM C[C@H]1C[C@@H](Nc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])CCS1 ZINC001590206807 1093302768 /nfs/dbraw/zinc/30/27/68/1093302768.db2.gz LMROGYYBHGHDPS-YUMQZZPRSA-N -1 3 338.368 2.610 20 5 EFBDHM C[C@H]1C[C@@H](Nc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])CCS1 ZINC001590206807 1093302776 /nfs/dbraw/zinc/30/27/76/1093302776.db2.gz LMROGYYBHGHDPS-YUMQZZPRSA-N -1 3 338.368 2.610 20 5 EFBDHM C[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)[C@@H](C)C1 ZINC001590237859 1093324761 /nfs/dbraw/zinc/32/47/61/1093324761.db2.gz CQSQYBVVXQDUDO-KXUCPTDWSA-N -1 3 331.380 2.594 20 5 EFBDHM C[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)[C@@H](C)C1 ZINC001590237859 1093324767 /nfs/dbraw/zinc/32/47/67/1093324767.db2.gz CQSQYBVVXQDUDO-KXUCPTDWSA-N -1 3 331.380 2.594 20 5 EFBDHM C[C@H]1CCCC[C@@H]1C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590250280 1093337463 /nfs/dbraw/zinc/33/74/63/1093337463.db2.gz OBPHOLJFXQCHDU-QWRGUYRKSA-N -1 3 345.359 2.644 20 5 EFBDHM C[C@H]1CCCC[C@@H]1C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590250280 1093337469 /nfs/dbraw/zinc/33/74/69/1093337469.db2.gz OBPHOLJFXQCHDU-QWRGUYRKSA-N -1 3 345.359 2.644 20 5 EFBDHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C[C@H](C)C1(F)F ZINC001590314965 1093373814 /nfs/dbraw/zinc/37/38/14/1093373814.db2.gz VDIIRTWUJWZZLZ-DTORHVGOSA-N -1 3 338.318 2.502 20 5 EFBDHM C/C=C\C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001590354409 1093391222 /nfs/dbraw/zinc/39/12/22/1093391222.db2.gz LKGQLGKETVAIKZ-ZZKXABKFSA-N -1 3 328.376 2.958 20 5 EFBDHM C/C=C\C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001590354409 1093391232 /nfs/dbraw/zinc/39/12/32/1093391232.db2.gz LKGQLGKETVAIKZ-ZZKXABKFSA-N -1 3 328.376 2.958 20 5 EFBDHM CC[C@H](C)n1ncc(Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])c1C ZINC001590418520 1093413269 /nfs/dbraw/zinc/41/32/69/1093413269.db2.gz QKZVGTFKZKPMOA-VIFPVBQESA-N -1 3 342.363 2.994 20 5 EFBDHM CC[C@H](C)n1ncc(Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])c1C ZINC001590418520 1093413272 /nfs/dbraw/zinc/41/32/72/1093413272.db2.gz QKZVGTFKZKPMOA-VIFPVBQESA-N -1 3 342.363 2.994 20 5 EFBDHM CC[C@@H](CC(F)(F)F)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590422854 1093416096 /nfs/dbraw/zinc/41/60/96/1093416096.db2.gz SZGJEFVMQDYIEX-ZETCQYMHSA-N -1 3 330.270 2.918 20 5 EFBDHM CC[C@@H](CC(F)(F)F)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590422854 1093416097 /nfs/dbraw/zinc/41/60/97/1093416097.db2.gz SZGJEFVMQDYIEX-ZETCQYMHSA-N -1 3 330.270 2.918 20 5 EFBDHM CCC1(O)CCC(Nc2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001590500517 1093457357 /nfs/dbraw/zinc/45/73/57/1093457357.db2.gz NREYXRVPXFTHFJ-UHFFFAOYSA-N -1 3 346.391 2.579 20 5 EFBDHM CCC1(O)CCC(Nc2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001590500517 1093457362 /nfs/dbraw/zinc/45/73/62/1093457362.db2.gz NREYXRVPXFTHFJ-UHFFFAOYSA-N -1 3 346.391 2.579 20 5 EFBDHM CCCc1cncc(Oc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])c1 ZINC001590659394 1093533685 /nfs/dbraw/zinc/53/36/85/1093533685.db2.gz JFFCWVXVPYCVOS-UHFFFAOYSA-N -1 3 326.316 2.915 20 5 EFBDHM CCCc1cncc(Oc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])c1 ZINC001590659394 1093533689 /nfs/dbraw/zinc/53/36/89/1093533689.db2.gz JFFCWVXVPYCVOS-UHFFFAOYSA-N -1 3 326.316 2.915 20 5 EFBDHM CCc1cc(-c2nn[n-]n2)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC001590876226 1093609282 /nfs/dbraw/zinc/60/92/82/1093609282.db2.gz CFUJJLGIJXSJCN-UHFFFAOYSA-N -1 3 325.328 2.916 20 5 EFBDHM CN(CCCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591086204 1093661184 /nfs/dbraw/zinc/66/11/84/1093661184.db2.gz GDDUTCSDFPVTCL-UHFFFAOYSA-N -1 3 338.371 2.844 20 5 EFBDHM CN(CCCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591086204 1093661186 /nfs/dbraw/zinc/66/11/86/1093661186.db2.gz GDDUTCSDFPVTCL-UHFFFAOYSA-N -1 3 338.371 2.844 20 5 EFBDHM CN1CCc2ccc(Nc3cc(-c4nnn[n-]4)ccc3[N+](=O)[O-])cc21 ZINC001591196072 1093677986 /nfs/dbraw/zinc/67/79/86/1093677986.db2.gz KBESOGGCRVWTEB-UHFFFAOYSA-N -1 3 337.343 2.511 20 5 EFBDHM CN1CCc2ccc(Nc3cc(-c4nn[n-]n4)ccc3[N+](=O)[O-])cc21 ZINC001591196072 1093677991 /nfs/dbraw/zinc/67/79/91/1093677991.db2.gz KBESOGGCRVWTEB-UHFFFAOYSA-N -1 3 337.343 2.511 20 5 EFBDHM COC1CCC(CCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001591351534 1093701249 /nfs/dbraw/zinc/70/12/49/1093701249.db2.gz VFOPJSIEQOSLRK-UHFFFAOYSA-N -1 3 346.391 2.782 20 5 EFBDHM COC1CCC(CCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001591351534 1093701252 /nfs/dbraw/zinc/70/12/52/1093701252.db2.gz VFOPJSIEQOSLRK-UHFFFAOYSA-N -1 3 346.391 2.782 20 5 EFBDHM COC[C@H](CC(C)(C)C)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001591373988 1093709510 /nfs/dbraw/zinc/70/95/10/1093709510.db2.gz CAZLTWZHCZZLST-NSHDSACASA-N -1 3 334.380 2.638 20 5 EFBDHM COc1cc(OCc2c(F)cccc2[N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001591552684 1093765269 /nfs/dbraw/zinc/76/52/69/1093765269.db2.gz HADMQSRSLYIYPX-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1cc(OCc2c(F)cccc2[N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001591552684 1093765273 /nfs/dbraw/zinc/76/52/73/1093765273.db2.gz HADMQSRSLYIYPX-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1cc(OCc2ccc(C)c(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC001591552686 1093765344 /nfs/dbraw/zinc/76/53/44/1093765344.db2.gz HCMCDSSXNZIJJH-UHFFFAOYSA-N -1 3 341.327 2.671 20 5 EFBDHM COc1cc(OCc2ccc(C)c(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC001591552686 1093765350 /nfs/dbraw/zinc/76/53/50/1093765350.db2.gz HCMCDSSXNZIJJH-UHFFFAOYSA-N -1 3 341.327 2.671 20 5 EFBDHM COc1ccc(CNc2cc(C)sc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591601499 1093790825 /nfs/dbraw/zinc/79/08/25/1093790825.db2.gz ZZUXXHAOJALGBA-UHFFFAOYSA-N -1 3 346.372 2.766 20 5 EFBDHM COc1ccc(CNc2cc(C)sc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591601499 1093790830 /nfs/dbraw/zinc/79/08/30/1093790830.db2.gz ZZUXXHAOJALGBA-UHFFFAOYSA-N -1 3 346.372 2.766 20 5 EFBDHM COc1ccc(CNc2cc(F)cc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC001591601431 1093790893 /nfs/dbraw/zinc/79/08/93/1093790893.db2.gz UKZZJQODBFMUTQ-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM COc1ccc(CNc2cc(F)cc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC001591601431 1093790899 /nfs/dbraw/zinc/79/08/99/1093790899.db2.gz UKZZJQODBFMUTQ-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM COc1ccc(Sc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])cc1 ZINC001591622286 1093804372 /nfs/dbraw/zinc/80/43/72/1093804372.db2.gz TYSWLAJDDUYYCN-UHFFFAOYSA-N -1 3 329.341 2.935 20 5 EFBDHM COc1ccc(Sc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])cc1 ZINC001591622286 1093804376 /nfs/dbraw/zinc/80/43/76/1093804376.db2.gz TYSWLAJDDUYYCN-UHFFFAOYSA-N -1 3 329.341 2.935 20 5 EFBDHM CS[C@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001591689468 1093825046 /nfs/dbraw/zinc/82/50/46/1093825046.db2.gz FEDLHSDFXGGBGP-KOLCDFICSA-N -1 3 334.405 2.861 20 5 EFBDHM CSCc1ccc(Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC001591700166 1093833701 /nfs/dbraw/zinc/83/37/01/1093833701.db2.gz JDPZNBNCIVZNFM-UHFFFAOYSA-N -1 3 343.372 2.777 20 5 EFBDHM CSCc1ccc(Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC001591700166 1093833707 /nfs/dbraw/zinc/83/37/07/1093833707.db2.gz JDPZNBNCIVZNFM-UHFFFAOYSA-N -1 3 343.372 2.777 20 5 EFBDHM CSCCCSCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591700278 1093834210 /nfs/dbraw/zinc/83/42/10/1093834210.db2.gz QMWMQEXAUFSQPU-UHFFFAOYSA-N -1 3 325.419 2.761 20 5 EFBDHM CSCCCSCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591700278 1093834219 /nfs/dbraw/zinc/83/42/19/1093834219.db2.gz QMWMQEXAUFSQPU-UHFFFAOYSA-N -1 3 325.419 2.761 20 5 EFBDHM C[C@@H](OC(=O)c1ccc([N+](=O)[O-])s1)c1cccc(-c2nnn[n-]2)c1 ZINC001591732493 1093846224 /nfs/dbraw/zinc/84/62/24/1093846224.db2.gz HYDVEYAVXWYECK-MRVPVSSYSA-N -1 3 345.340 2.754 20 5 EFBDHM C[C@@H](OC(=O)c1ccc([N+](=O)[O-])s1)c1cccc(-c2nn[n-]n2)c1 ZINC001591732493 1093846226 /nfs/dbraw/zinc/84/62/26/1093846226.db2.gz HYDVEYAVXWYECK-MRVPVSSYSA-N -1 3 345.340 2.754 20 5 EFBDHM C[C@@H]1c2ccccc2CN1c1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591758051 1093849247 /nfs/dbraw/zinc/84/92/47/1093849247.db2.gz KBHPEHYTJJDUAS-SECBINFHSA-N -1 3 340.318 2.995 20 5 EFBDHM C[C@@H]1c2ccccc2CN1c1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591758051 1093849254 /nfs/dbraw/zinc/84/92/54/1093849254.db2.gz KBHPEHYTJJDUAS-SECBINFHSA-N -1 3 340.318 2.995 20 5 EFBDHM Cc1c(-c2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cccc1[N+](=O)[O-] ZINC001591794701 1093860825 /nfs/dbraw/zinc/86/08/25/1093860825.db2.gz MBFUPTZGQBMVAN-UHFFFAOYSA-N -1 3 349.310 2.800 20 5 EFBDHM Cc1c(-c2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cccc1[N+](=O)[O-] ZINC001591794701 1093860830 /nfs/dbraw/zinc/86/08/30/1093860830.db2.gz MBFUPTZGQBMVAN-UHFFFAOYSA-N -1 3 349.310 2.800 20 5 EFBDHM Cc1cc(C)cc(Nc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)c1 ZINC001591954311 1093932210 /nfs/dbraw/zinc/93/22/10/1093932210.db2.gz OBNICQKWPCWWPJ-UHFFFAOYSA-N -1 3 325.332 2.718 20 5 EFBDHM Cc1cc(C)cc(Nc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)c1 ZINC001591954311 1093932214 /nfs/dbraw/zinc/93/22/14/1093932214.db2.gz OBNICQKWPCWWPJ-UHFFFAOYSA-N -1 3 325.332 2.718 20 5 EFBDHM Cc1cc(COc2cc(F)cc([N+](=O)[O-])c2)ccc1-c1nnn[n-]1 ZINC001591973187 1093940993 /nfs/dbraw/zinc/94/09/93/1093940993.db2.gz ZNKMOFHVMQUQOS-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1cc(COc2cc(F)cc([N+](=O)[O-])c2)ccc1-c1nn[n-]n1 ZINC001591973187 1093940996 /nfs/dbraw/zinc/94/09/96/1093940996.db2.gz ZNKMOFHVMQUQOS-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1cc(N(C)[C@H](C)c2cccc(-c3nnn[n-]3)c2)ncc1[N+](=O)[O-] ZINC001591995923 1093951752 /nfs/dbraw/zinc/95/17/52/1093951752.db2.gz OECDCENHOCSZCC-LLVKDONJSA-N -1 3 339.359 2.676 20 5 EFBDHM Cc1cc(N(C)[C@H](C)c2cccc(-c3nn[n-]n3)c2)ncc1[N+](=O)[O-] ZINC001591995923 1093951754 /nfs/dbraw/zinc/95/17/54/1093951754.db2.gz OECDCENHOCSZCC-LLVKDONJSA-N -1 3 339.359 2.676 20 5 EFBDHM Cc1cc(N2CCCc3occc3C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592006211 1093953089 /nfs/dbraw/zinc/95/30/89/1093953089.db2.gz DYMSFBVYBYTOOE-UHFFFAOYSA-N -1 3 340.343 2.629 20 5 EFBDHM Cc1cc(N2CCCc3occc3C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592006211 1093953094 /nfs/dbraw/zinc/95/30/94/1093953094.db2.gz DYMSFBVYBYTOOE-UHFFFAOYSA-N -1 3 340.343 2.629 20 5 EFBDHM Cc1cc(N[C@@H]2CCOC3(CCC3)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592039682 1093963995 /nfs/dbraw/zinc/96/39/95/1093963995.db2.gz FHPJASRERXFRQD-LLVKDONJSA-N -1 3 344.375 2.597 20 5 EFBDHM Cc1cc(N[C@@H]2CCOC3(CCC3)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592039682 1093963997 /nfs/dbraw/zinc/96/39/97/1093963997.db2.gz FHPJASRERXFRQD-LLVKDONJSA-N -1 3 344.375 2.597 20 5 EFBDHM Cc1cc(NC[C@@H]2CCCC2(F)F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592044091 1093966270 /nfs/dbraw/zinc/96/62/70/1093966270.db2.gz NBYVZKVUAYZZAS-VIFPVBQESA-N -1 3 338.318 2.931 20 5 EFBDHM Cc1cc(NC[C@@H]2CCCC2(F)F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592044091 1093966272 /nfs/dbraw/zinc/96/62/72/1093966272.db2.gz NBYVZKVUAYZZAS-VIFPVBQESA-N -1 3 338.318 2.931 20 5 EFBDHM Cc1cc(NCCC[C@@H]2CCCCO2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592048083 1093966659 /nfs/dbraw/zinc/96/66/59/1093966659.db2.gz VMPXXHFXUHOLQE-LBPRGKRZSA-N -1 3 346.391 2.845 20 5 EFBDHM Cc1cc(NCCC[C@@H]2CCCCO2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592048083 1093966661 /nfs/dbraw/zinc/96/66/61/1093966661.db2.gz VMPXXHFXUHOLQE-LBPRGKRZSA-N -1 3 346.391 2.845 20 5 EFBDHM Cc1cc(NCc2cc(-c3nnn[n-]3)ccc2F)c(F)cc1[N+](=O)[O-] ZINC001592052250 1093966877 /nfs/dbraw/zinc/96/68/77/1093966877.db2.gz GCXFFCKSOOTWCX-UHFFFAOYSA-N -1 3 346.297 2.974 20 5 EFBDHM Cc1cc(NCc2cc(-c3nn[n-]n3)ccc2F)c(F)cc1[N+](=O)[O-] ZINC001592052250 1093966879 /nfs/dbraw/zinc/96/68/79/1093966879.db2.gz GCXFFCKSOOTWCX-UHFFFAOYSA-N -1 3 346.297 2.974 20 5 EFBDHM Cc1cc(NCc2cc([N+](=O)[O-])ccc2Cl)ncc1-c1nnn[n-]1 ZINC001592052187 1093967177 /nfs/dbraw/zinc/96/71/77/1093967177.db2.gz BOQLADBNSKRVMQ-UHFFFAOYSA-N -1 3 345.750 2.744 20 5 EFBDHM Cc1cc(NCc2cc([N+](=O)[O-])ccc2Cl)ncc1-c1nn[n-]n1 ZINC001592052187 1093967181 /nfs/dbraw/zinc/96/71/81/1093967181.db2.gz BOQLADBNSKRVMQ-UHFFFAOYSA-N -1 3 345.750 2.744 20 5 EFBDHM Cc1cc(NCc2cccc(F)c2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592052866 1093968579 /nfs/dbraw/zinc/96/85/79/1093968579.db2.gz AFOJSQRRGOKDDQ-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM Cc1cc(NCc2cccc(F)c2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592052866 1093968583 /nfs/dbraw/zinc/96/85/83/1093968583.db2.gz AFOJSQRRGOKDDQ-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM Cc1ccc(CNc2cccc(F)c2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592167060 1094010543 /nfs/dbraw/zinc/01/05/43/1094010543.db2.gz XFWYXGVMHYJRHP-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM Cc1ccc(CNc2cccc(F)c2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592167060 1094010548 /nfs/dbraw/zinc/01/05/48/1094010548.db2.gz XFWYXGVMHYJRHP-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM Cc1ccc(CSc2ccc(-c3nnn[n-]3)cn2)cc1[N+](=O)[O-] ZINC001592168711 1094012505 /nfs/dbraw/zinc/01/25/05/1094012505.db2.gz FRHJRFCSNNNIDC-UHFFFAOYSA-N -1 3 328.357 2.771 20 5 EFBDHM Cc1ccc(CSc2ccc(-c3nn[n-]n3)cn2)cc1[N+](=O)[O-] ZINC001592168711 1094012511 /nfs/dbraw/zinc/01/25/11/1094012511.db2.gz FRHJRFCSNNNIDC-UHFFFAOYSA-N -1 3 328.357 2.771 20 5 EFBDHM Cc1ccc(Oc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)cn1 ZINC001592190533 1094023218 /nfs/dbraw/zinc/02/32/18/1094023218.db2.gz JMCPDEQCRKGEDP-UHFFFAOYSA-N -1 3 349.310 2.819 20 5 EFBDHM Cc1ccc(Oc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)cn1 ZINC001592190533 1094023223 /nfs/dbraw/zinc/02/32/23/1094023223.db2.gz JMCPDEQCRKGEDP-UHFFFAOYSA-N -1 3 349.310 2.819 20 5 EFBDHM Cc1ccc2c(c1)CC[C@H]2Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001592201507 1094030093 /nfs/dbraw/zinc/03/00/93/1094030093.db2.gz VPVYJJUIJFKMNC-CQSZACIVSA-N -1 3 337.343 2.578 20 5 EFBDHM Cc1ccc2c(c1)CC[C@H]2Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001592201507 1094030099 /nfs/dbraw/zinc/03/00/99/1094030099.db2.gz VPVYJJUIJFKMNC-CQSZACIVSA-N -1 3 337.343 2.578 20 5 EFBDHM Cc1cccc(F)c1CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001592232832 1094040201 /nfs/dbraw/zinc/04/02/01/1094040201.db2.gz NTFMLDZQXKVZQF-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM Cc1cccc(F)c1CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001592232832 1094040208 /nfs/dbraw/zinc/04/02/08/1094040208.db2.gz NTFMLDZQXKVZQF-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM Cc1cccc2c1CN(c1c(-c3nnn[n-]3)cccc1[N+](=O)[O-])CC2 ZINC001592244986 1094046230 /nfs/dbraw/zinc/04/62/30/1094046230.db2.gz VDHUBKWASAANMW-UHFFFAOYSA-N -1 3 336.355 2.646 20 5 EFBDHM Cc1cccc2c1CN(c1c(-c3nn[n-]n3)cccc1[N+](=O)[O-])CC2 ZINC001592244986 1094046236 /nfs/dbraw/zinc/04/62/36/1094046236.db2.gz VDHUBKWASAANMW-UHFFFAOYSA-N -1 3 336.355 2.646 20 5 EFBDHM Cc1cccnc1[C@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001592264362 1094058057 /nfs/dbraw/zinc/05/80/57/1094058057.db2.gz QRHHYOJVRYVUOA-JTQLQIEISA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1cccnc1[C@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001592264362 1094058065 /nfs/dbraw/zinc/05/80/65/1094058065.db2.gz QRHHYOJVRYVUOA-JTQLQIEISA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1cccnc1[C@H](C)Nc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592264431 1094058158 /nfs/dbraw/zinc/05/81/58/1094058158.db2.gz RHKXSGPXFWROCW-VIFPVBQESA-N -1 3 343.322 2.791 20 5 EFBDHM Cc1cccnc1[C@H](C)Nc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592264431 1094058166 /nfs/dbraw/zinc/05/81/66/1094058166.db2.gz RHKXSGPXFWROCW-VIFPVBQESA-N -1 3 343.322 2.791 20 5 EFBDHM Cc1csc(CCCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)n1 ZINC001592314540 1094074756 /nfs/dbraw/zinc/07/47/56/1094074756.db2.gz PUJIAELLKSBUOX-UHFFFAOYSA-N -1 3 345.388 2.585 20 5 EFBDHM Cc1csc(CCCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)n1 ZINC001592314540 1094074760 /nfs/dbraw/zinc/07/47/60/1094074760.db2.gz PUJIAELLKSBUOX-UHFFFAOYSA-N -1 3 345.388 2.585 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(NCC2(C3CCC3)CCC2)c1-c1nnn[n-]1 ZINC001592758642 1094185946 /nfs/dbraw/zinc/18/59/46/1094185946.db2.gz ZNNJQFAXUJGANI-UHFFFAOYSA-N -1 3 343.391 2.739 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(NCC2(C3CCC3)CCC2)c1-c1nn[n-]n1 ZINC001592758642 1094185948 /nfs/dbraw/zinc/18/59/48/1094185948.db2.gz ZNNJQFAXUJGANI-UHFFFAOYSA-N -1 3 343.391 2.739 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1CCc2cc(F)ccc21 ZINC001593468182 1094310894 /nfs/dbraw/zinc/31/08/94/1094310894.db2.gz IQVPYWAEPOJNBI-UHFFFAOYSA-N -1 3 344.281 2.747 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1CCc2cc(F)ccc21 ZINC001593468182 1094310902 /nfs/dbraw/zinc/31/09/02/1094310902.db2.gz IQVPYWAEPOJNBI-UHFFFAOYSA-N -1 3 344.281 2.747 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC(Cc2cccs2)C1 ZINC001593469124 1094311347 /nfs/dbraw/zinc/31/13/47/1094311347.db2.gz XDCLYHHJYNPIDD-UHFFFAOYSA-N -1 3 342.384 2.515 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC(Cc2cccs2)C1 ZINC001593469124 1094311358 /nfs/dbraw/zinc/31/13/58/1094311358.db2.gz XDCLYHHJYNPIDD-UHFFFAOYSA-N -1 3 342.384 2.515 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1Oc1cncc(Cl)c1 ZINC001593467867 1094312034 /nfs/dbraw/zinc/31/20/34/1094312034.db2.gz WNCFYVNRUQCGOM-UHFFFAOYSA-N -1 3 336.670 2.755 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NC[C@@]12C[C@@H]1CCCC2 ZINC001593469345 1094312242 /nfs/dbraw/zinc/31/22/42/1094312242.db2.gz ZEMUAHHKHZNFOC-BJOHPYRUSA-N -1 3 332.339 2.906 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NC[C@@]12C[C@@H]1CCCC2 ZINC001593469345 1094312258 /nfs/dbraw/zinc/31/22/58/1094312258.db2.gz ZEMUAHHKHZNFOC-BJOHPYRUSA-N -1 3 332.339 2.906 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@H](C2CCCC2)C1 ZINC001593468562 1094312701 /nfs/dbraw/zinc/31/27/01/1094312701.db2.gz ONBORSYZMOCAQP-ZDUSSCGKSA-N -1 3 328.376 2.791 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@H](C2CCCC2)C1 ZINC001593468562 1094312706 /nfs/dbraw/zinc/31/27/06/1094312706.db2.gz ONBORSYZMOCAQP-ZDUSSCGKSA-N -1 3 328.376 2.791 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N[C@@H]1CCC[C@H](C2CC2)C1 ZINC001593470680 1094313601 /nfs/dbraw/zinc/31/36/01/1094313601.db2.gz KGBVANUYLXIPKK-CMPLNLGQSA-N -1 3 329.364 2.551 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N[C@@H]1CCC[C@H](C2CC2)C1 ZINC001593470680 1094313612 /nfs/dbraw/zinc/31/36/12/1094313612.db2.gz KGBVANUYLXIPKK-CMPLNLGQSA-N -1 3 329.364 2.551 20 5 EFBDHM O=[N+]([O-])c1cc(F)ccc1CSc1cc(-c2nnn[n-]2)ccn1 ZINC001593471558 1094314176 /nfs/dbraw/zinc/31/41/76/1094314176.db2.gz NEBKRIZKEDYSFP-UHFFFAOYSA-N -1 3 332.320 2.601 20 5 EFBDHM O=[N+]([O-])c1cc(F)ccc1CSc1cc(-c2nn[n-]n2)ccn1 ZINC001593471558 1094314181 /nfs/dbraw/zinc/31/41/81/1094314181.db2.gz NEBKRIZKEDYSFP-UHFFFAOYSA-N -1 3 332.320 2.601 20 5 EFBDHM O=[N+]([O-])c1cc(N2CCc3cc(F)ccc32)ccc1-c1nnn[n-]1 ZINC001593472109 1094314691 /nfs/dbraw/zinc/31/46/91/1094314691.db2.gz VIARDQJRGCYJAS-UHFFFAOYSA-N -1 3 326.291 2.608 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1CCOC12CCCCC2 ZINC001593469872 1094315793 /nfs/dbraw/zinc/31/57/93/1094315793.db2.gz BCEMTIAMXYZYDO-CQSZACIVSA-N -1 3 344.375 2.679 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCOC12CCCCC2 ZINC001593469872 1094315803 /nfs/dbraw/zinc/31/58/03/1094315803.db2.gz BCEMTIAMXYZYDO-CQSZACIVSA-N -1 3 344.375 2.679 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCc1ccc2c(c1)CCC2 ZINC001593471282 1094316017 /nfs/dbraw/zinc/31/60/17/1094316017.db2.gz PVANGOFIERTCCS-UHFFFAOYSA-N -1 3 336.355 2.876 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCc1ccc2c(c1)CCC2 ZINC001593471282 1094316025 /nfs/dbraw/zinc/31/60/25/1094316025.db2.gz PVANGOFIERTCCS-UHFFFAOYSA-N -1 3 336.355 2.876 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1Sc1ccc(F)c(F)c1 ZINC001593473271 1094316826 /nfs/dbraw/zinc/31/68/26/1094316826.db2.gz UDEVREDDMLFNKC-UHFFFAOYSA-N -1 3 336.283 2.599 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1Sc1ccc(F)c(F)c1 ZINC001593473271 1094316837 /nfs/dbraw/zinc/31/68/37/1094316837.db2.gz UDEVREDDMLFNKC-UHFFFAOYSA-N -1 3 336.283 2.599 20 5 EFBDHM O=[N+]([O-])c1cc(N[C@@H](C2CC2)[C@H]2CCCCO2)ccc1-c1nnn[n-]1 ZINC001593474565 1094317034 /nfs/dbraw/zinc/31/70/34/1094317034.db2.gz TVULMUABXMFORW-CABCVRRESA-N -1 3 344.375 2.535 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N[C@@H]1C[C@]1(F)c1ccccc1 ZINC001593474427 1094317482 /nfs/dbraw/zinc/31/74/82/1094317482.db2.gz IWHYMRIPZMUUKV-ZBFHGGJFSA-N -1 3 340.318 2.824 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N[C@@H]1C[C@]1(F)c1ccccc1 ZINC001593474427 1094317494 /nfs/dbraw/zinc/31/74/94/1094317494.db2.gz IWHYMRIPZMUUKV-ZBFHGGJFSA-N -1 3 340.318 2.824 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1SC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001593473208 1094317622 /nfs/dbraw/zinc/31/76/22/1094317622.db2.gz PYKCDFJVBXPRST-BBBLOLIVSA-N -1 3 332.389 2.698 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1SC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001593473208 1094317628 /nfs/dbraw/zinc/31/76/28/1094317628.db2.gz PYKCDFJVBXPRST-BBBLOLIVSA-N -1 3 332.389 2.698 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N[C@@H]1C[C@H]1Cc1ccccc1 ZINC001593473795 1094318729 /nfs/dbraw/zinc/31/87/29/1094318729.db2.gz AUQNWUZWLAFUKR-ZIAGYGMSSA-N -1 3 336.355 2.818 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N[C@@H]1C[C@H]1Cc1ccccc1 ZINC001593473795 1094318736 /nfs/dbraw/zinc/31/87/36/1094318736.db2.gz AUQNWUZWLAFUKR-ZIAGYGMSSA-N -1 3 336.355 2.818 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCc1ccc2ccccc2n1 ZINC001593474767 1094318818 /nfs/dbraw/zinc/31/88/18/1094318818.db2.gz KAUDOMKZSCKQMS-UHFFFAOYSA-N -1 3 347.338 2.935 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCc1ccc2ccccc2n1 ZINC001593474767 1094318825 /nfs/dbraw/zinc/31/88/25/1094318825.db2.gz KAUDOMKZSCKQMS-UHFFFAOYSA-N -1 3 347.338 2.935 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1Nc1ccc2c(c1)CCCO2 ZINC001593475626 1094320258 /nfs/dbraw/zinc/32/02/58/1094320258.db2.gz QYGUZOQVZJNYBF-UHFFFAOYSA-N -1 3 338.327 2.844 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1Nc1ccc2c(c1)CCCO2 ZINC001593475626 1094320269 /nfs/dbraw/zinc/32/02/69/1094320269.db2.gz QYGUZOQVZJNYBF-UHFFFAOYSA-N -1 3 338.327 2.844 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCCOC1CCCCCC1 ZINC001593475611 1094320317 /nfs/dbraw/zinc/32/03/17/1094320317.db2.gz QPXNVGYRHPKGSX-UHFFFAOYSA-N -1 3 346.391 2.926 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCCOC1CCCCCC1 ZINC001593475611 1094320335 /nfs/dbraw/zinc/32/03/35/1094320335.db2.gz QPXNVGYRHPKGSX-UHFFFAOYSA-N -1 3 346.391 2.926 20 5 EFBDHM O=[N+]([O-])c1ccc(CSCc2cc(-c3nnn[n-]3)ccn2)cc1 ZINC001593475520 1094320702 /nfs/dbraw/zinc/32/07/02/1094320702.db2.gz MENLNLWWSSKSSO-UHFFFAOYSA-N -1 3 328.357 2.603 20 5 EFBDHM O=[N+]([O-])c1ccc(CSCc2cc(-c3nn[n-]n3)ccn2)cc1 ZINC001593475520 1094320711 /nfs/dbraw/zinc/32/07/11/1094320711.db2.gz MENLNLWWSSKSSO-UHFFFAOYSA-N -1 3 328.357 2.603 20 5 EFBDHM O=[N+]([O-])c1cc(N[C@@H]2CCOC23CCCCC3)ccc1-c1nnn[n-]1 ZINC001593475252 1094321297 /nfs/dbraw/zinc/32/12/97/1094321297.db2.gz ZFHSGYOWJIZZEK-CQSZACIVSA-N -1 3 344.375 2.679 20 5 EFBDHM O=[N+]([O-])c1ccc2nc(NC/C=C\C3CC3)cc(-c3nnn[n-]3)c2c1 ZINC001593479960 1094322253 /nfs/dbraw/zinc/32/22/53/1094322253.db2.gz AWEGFVWAYGAWDS-UPHRSURJSA-N -1 3 337.343 2.701 20 5 EFBDHM O=[N+]([O-])c1ccc2nc(NC/C=C\C3CC3)cc(-c3nn[n-]n3)c2c1 ZINC001593479960 1094322265 /nfs/dbraw/zinc/32/22/65/1094322265.db2.gz AWEGFVWAYGAWDS-UPHRSURJSA-N -1 3 337.343 2.701 20 5 EFBDHM O=[N+]([O-])c1ccc(NC[C@H]2CC23CCSCC3)c(-c2nnn[n-]2)c1 ZINC001593478200 1094322549 /nfs/dbraw/zinc/32/25/49/1094322549.db2.gz RATZICKCVQUVLQ-SNVBAGLBSA-N -1 3 346.416 2.720 20 5 EFBDHM O=[N+]([O-])c1ccc(NC[C@H]2CC23CCSCC3)c(-c2nn[n-]n2)c1 ZINC001593478200 1094322555 /nfs/dbraw/zinc/32/25/55/1094322555.db2.gz RATZICKCVQUVLQ-SNVBAGLBSA-N -1 3 346.416 2.720 20 5 EFBDHM O=[N+]([O-])c1ccc(OCc2ccc(-c3nnn[n-]3)cc2F)c(F)c1 ZINC001593482445 1094325522 /nfs/dbraw/zinc/32/55/22/1094325522.db2.gz UCLPUKXMAOHLFX-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1ccc(OCc2ccc(-c3nn[n-]n3)cc2F)c(F)c1 ZINC001593482445 1094325525 /nfs/dbraw/zinc/32/55/25/1094325525.db2.gz UCLPUKXMAOHLFX-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@@H]2C[C@H]2c2ccsc2)c(-c2nnn[n-]2)c1 ZINC001593482768 1094326183 /nfs/dbraw/zinc/32/61/83/1094326183.db2.gz WHIJHCJKQTWKHC-GXFFZTMASA-N -1 3 328.357 2.804 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@@H]2C[C@H]2c2ccsc2)c(-c2nn[n-]n2)c1 ZINC001593482768 1094326195 /nfs/dbraw/zinc/32/61/95/1094326195.db2.gz WHIJHCJKQTWKHC-GXFFZTMASA-N -1 3 328.357 2.804 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CSCCC[C@H]1CCOC1 ZINC001593483095 1094326239 /nfs/dbraw/zinc/32/62/39/1094326239.db2.gz UKXAMKRDWSLLMZ-NSHDSACASA-N -1 3 349.416 2.825 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1CSCCC[C@H]1CCOC1 ZINC001593483095 1094326246 /nfs/dbraw/zinc/32/62/46/1094326246.db2.gz UKXAMKRDWSLLMZ-NSHDSACASA-N -1 3 349.416 2.825 20 5 EFBDHM O=[N+]([O-])c1cccc(OCCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001593483651 1094326637 /nfs/dbraw/zinc/32/66/37/1094326637.db2.gz AJBILJUKTHTDOR-UHFFFAOYSA-N -1 3 341.327 2.623 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CSc1ccc(Cl)nn1 ZINC001593482683 1094327465 /nfs/dbraw/zinc/32/74/65/1094327465.db2.gz PGCUGMLTDSPCCD-UHFFFAOYSA-N -1 3 349.763 2.511 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1CSc1ccc(Cl)nn1 ZINC001593482683 1094327474 /nfs/dbraw/zinc/32/74/74/1094327474.db2.gz PGCUGMLTDSPCCD-UHFFFAOYSA-N -1 3 349.763 2.511 20 5 EFBDHM Cc1cc([N+](=O)[O-])ccc1CN[C@@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC001600304698 1094956614 /nfs/dbraw/zinc/95/66/14/1094956614.db2.gz GWOQBFUTBDQDFP-QGZVFWFLSA-N -1 3 342.351 2.754 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC2(CC(C(=O)[O-])=NO2)CC1 ZINC001600488102 1095104037 /nfs/dbraw/zinc/10/40/37/1095104037.db2.gz KFADPTMJLYXXRG-LBPRGKRZSA-N -1 3 347.371 2.660 20 5 EFBDHM O=C([O-])C[C@@H](NCc1c(Br)cccc1[N+](=O)[O-])C1CC1 ZINC001601906891 1095970541 /nfs/dbraw/zinc/97/05/41/1095970541.db2.gz OFDJUHADELFMNT-LLVKDONJSA-N -1 3 343.177 2.700 20 5 EFBDHM O=C([O-])c1cc(-c2cccc([C@H]3CNCCO3)c2)cc([N+](=O)[O-])c1 ZINC001602237894 1096133426 /nfs/dbraw/zinc/13/34/26/1096133426.db2.gz WUGBFYCUGMIAGA-MRXNPFEDSA-N -1 3 328.324 2.621 20 5 EFBDHM O=C([O-])c1cc2n(n1)CCC[C@@H]2NC/C=C/c1ccccc1[N+](=O)[O-] ZINC001602310569 1096171821 /nfs/dbraw/zinc/17/18/21/1096171821.db2.gz KHJSTVOQVUCIDA-YIALFULDSA-N -1 3 342.355 2.627 20 5 EFBDHM CC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC001602977419 1096413663 /nfs/dbraw/zinc/41/36/63/1096413663.db2.gz MNKYBDPYSGMQNF-UHFFFAOYSA-N -1 3 325.284 2.770 20 5 EFBDHM CC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC001602977419 1096413666 /nfs/dbraw/zinc/41/36/66/1096413666.db2.gz MNKYBDPYSGMQNF-UHFFFAOYSA-N -1 3 325.284 2.770 20 5 EFBDHM CC(=O)c1cccc(-c2nnn[n-]2)c1OCc1cccc([N+](=O)[O-])c1 ZINC001602979500 1096415358 /nfs/dbraw/zinc/41/53/58/1096415358.db2.gz WHJDFHCMQWBFJJ-UHFFFAOYSA-N -1 3 339.311 2.557 20 5 EFBDHM CC(=O)c1cccc(-c2nn[n-]n2)c1OCc1cccc([N+](=O)[O-])c1 ZINC001602979500 1096415363 /nfs/dbraw/zinc/41/53/63/1096415363.db2.gz WHJDFHCMQWBFJJ-UHFFFAOYSA-N -1 3 339.311 2.557 20 5 EFBDHM C[C@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1c(F)cncc1F ZINC001603680868 1096587983 /nfs/dbraw/zinc/58/79/83/1096587983.db2.gz CXCRAYIHLPBYTE-ZETCQYMHSA-N -1 3 347.285 2.621 20 5 EFBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1c(F)cncc1F ZINC001603680867 1096588564 /nfs/dbraw/zinc/58/85/64/1096588564.db2.gz CXCRAYIHLPBYTE-SSDOTTSWSA-N -1 3 347.285 2.621 20 5 EFBDHM CC1(C)CCC(O)(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC001603773111 1096622854 /nfs/dbraw/zinc/62/28/54/1096622854.db2.gz YATFXEBQFXIARA-UHFFFAOYSA-N -1 3 346.391 2.518 20 5 EFBDHM C[C@@]1(CCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@]1(F)Cl ZINC001603799880 1096631103 /nfs/dbraw/zinc/63/11/03/1096631103.db2.gz DPTLWKRDWRCWGX-CHWSQXEVSA-N -1 3 340.746 2.892 20 5 EFBDHM C[C@@]1(CCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@]1(F)Cl ZINC001603799880 1096631104 /nfs/dbraw/zinc/63/11/04/1096631104.db2.gz DPTLWKRDWRCWGX-CHWSQXEVSA-N -1 3 340.746 2.892 20 5 EFBDHM C[C@]1(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1(Cl)Cl ZINC001603805807 1096633074 /nfs/dbraw/zinc/63/30/74/1096633074.db2.gz CXYDYUUZZDMPEP-LLVKDONJSA-N -1 3 343.174 2.771 20 5 EFBDHM C[C@H]1CC[C@@H](CC(=O)OCc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001603876805 1096651849 /nfs/dbraw/zinc/65/18/49/1096651849.db2.gz PMGCAAFJGIJYTR-WDEREUQCSA-N -1 3 345.359 2.644 20 5 EFBDHM C[C@H]1CC[C@@H](CC(=O)OCc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001603876805 1096651855 /nfs/dbraw/zinc/65/18/55/1096651855.db2.gz PMGCAAFJGIJYTR-WDEREUQCSA-N -1 3 345.359 2.644 20 5 EFBDHM C[C@@H]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)[C@H]1C ZINC001603888728 1096660307 /nfs/dbraw/zinc/66/03/07/1096660307.db2.gz ZVNVLBPLXCQXKY-VWYCJHECSA-N -1 3 345.407 2.841 20 5 EFBDHM C[C@@H]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)[C@H]1C ZINC001603888728 1096660313 /nfs/dbraw/zinc/66/03/13/1096660313.db2.gz ZVNVLBPLXCQXKY-VWYCJHECSA-N -1 3 345.407 2.841 20 5 EFBDHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC001603940068 1096675757 /nfs/dbraw/zinc/67/57/57/1096675757.db2.gz QNQZJMXXPHSIQL-DTORHVGOSA-N -1 3 338.318 2.502 20 5 EFBDHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC001603940068 1096675761 /nfs/dbraw/zinc/67/57/61/1096675761.db2.gz QNQZJMXXPHSIQL-DTORHVGOSA-N -1 3 338.318 2.502 20 5 EFBDHM CC=C(C=CC(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])CC ZINC001603963731 1096683755 /nfs/dbraw/zinc/68/37/55/1096683755.db2.gz SCKWCXVLNQKTNG-MJYGYMJXSA-N -1 3 343.343 2.731 20 5 EFBDHM CC=C(C=CC(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])CC ZINC001603963731 1096683758 /nfs/dbraw/zinc/68/37/58/1096683758.db2.gz SCKWCXVLNQKTNG-MJYGYMJXSA-N -1 3 343.343 2.731 20 5 EFBDHM CCC1(CC)[C@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C[C@H]1OC ZINC001604085139 1096726221 /nfs/dbraw/zinc/72/62/21/1096726221.db2.gz FWBDESSPOVOMSV-ZIAGYGMSSA-N -1 3 346.391 2.781 20 5 EFBDHM CCC1(CC)[C@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C[C@H]1OC ZINC001604085139 1096726224 /nfs/dbraw/zinc/72/62/24/1096726224.db2.gz FWBDESSPOVOMSV-ZIAGYGMSSA-N -1 3 346.391 2.781 20 5 EFBDHM CCOC1(CNc2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)CCCC1 ZINC001604406251 1096840678 /nfs/dbraw/zinc/84/06/78/1096840678.db2.gz WJTMQRVVYZGYJS-UHFFFAOYSA-N -1 3 346.391 2.845 20 5 EFBDHM CCOC1(CNc2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)CCCC1 ZINC001604406251 1096840683 /nfs/dbraw/zinc/84/06/83/1096840683.db2.gz WJTMQRVVYZGYJS-UHFFFAOYSA-N -1 3 346.391 2.845 20 5 EFBDHM CCOc1cc(CNc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC001604449108 1096861053 /nfs/dbraw/zinc/86/10/53/1096861053.db2.gz LQGOICIHRFZOQM-UHFFFAOYSA-N -1 3 340.343 2.786 20 5 EFBDHM CCn1nc(C)c([N+](=O)[O-])c1Sc1ccc(-c2nnn[n-]2)cc1F ZINC001604618069 1096915845 /nfs/dbraw/zinc/91/58/45/1096915845.db2.gz XLCGQXTZIRPWQW-UHFFFAOYSA-N -1 3 349.351 2.590 20 5 EFBDHM CCn1nc(C)c([N+](=O)[O-])c1Sc1ccc(-c2nn[n-]n2)cc1F ZINC001604618069 1096915851 /nfs/dbraw/zinc/91/58/51/1096915851.db2.gz XLCGQXTZIRPWQW-UHFFFAOYSA-N -1 3 349.351 2.590 20 5 EFBDHM CN(CCc1ccccc1[N+](=O)[O-])c1cccc(F)c1-c1nnn[n-]1 ZINC001604791574 1096954871 /nfs/dbraw/zinc/95/48/71/1096954871.db2.gz ASIPTDYXSQGHNP-UHFFFAOYSA-N -1 3 342.334 2.593 20 5 EFBDHM CN(CCc1ccccc1[N+](=O)[O-])c1cccc(F)c1-c1nn[n-]n1 ZINC001604791574 1096954876 /nfs/dbraw/zinc/95/48/76/1096954876.db2.gz ASIPTDYXSQGHNP-UHFFFAOYSA-N -1 3 342.334 2.593 20 5 EFBDHM COCCC1(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCCC1 ZINC001605081212 1097018019 /nfs/dbraw/zinc/01/80/19/1097018019.db2.gz XZBASBQJSCKKTA-UHFFFAOYSA-N -1 3 346.391 2.784 20 5 EFBDHM COCCC1(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCCC1 ZINC001605081212 1097018027 /nfs/dbraw/zinc/01/80/27/1097018027.db2.gz XZBASBQJSCKKTA-UHFFFAOYSA-N -1 3 346.391 2.784 20 5 EFBDHM COCc1ccc(Nc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC001605134215 1097030484 /nfs/dbraw/zinc/03/04/84/1097030484.db2.gz TXLTXBNBOFANQF-UHFFFAOYSA-N -1 3 344.306 2.804 20 5 EFBDHM COCc1ccc(Nc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC001605134215 1097030488 /nfs/dbraw/zinc/03/04/88/1097030488.db2.gz TXLTXBNBOFANQF-UHFFFAOYSA-N -1 3 344.306 2.804 20 5 EFBDHM CCC1(CC)[C@H](NCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@H]1OC ZINC001605136992 1097032904 /nfs/dbraw/zinc/03/29/04/1097032904.db2.gz HLICQKTWLZRKDI-CABCVRRESA-N -1 3 336.388 2.976 20 5 EFBDHM COc1cc(CNc2cccc(C)c2[N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001605219384 1097055788 /nfs/dbraw/zinc/05/57/88/1097055788.db2.gz BNVFIDOAJISMNJ-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM COc1cc(CNc2cccc(C)c2[N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001605219384 1097055796 /nfs/dbraw/zinc/05/57/96/1097055796.db2.gz BNVFIDOAJISMNJ-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM COc1ccc([N+](=O)[O-])cc1N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001605307527 1097090279 /nfs/dbraw/zinc/09/02/79/1097090279.db2.gz FFRHAAZIIZKZID-JTQLQIEISA-N -1 3 340.343 2.957 20 5 EFBDHM COc1ccc([N+](=O)[O-])cc1N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001605307527 1097090284 /nfs/dbraw/zinc/09/02/84/1097090284.db2.gz FFRHAAZIIZKZID-JTQLQIEISA-N -1 3 340.343 2.957 20 5 EFBDHM Cc1c(Oc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cccc1[N+](=O)[O-] ZINC001605499810 1097139675 /nfs/dbraw/zinc/13/96/75/1097139675.db2.gz DZTFVQKIJFZMRB-UHFFFAOYSA-N -1 3 342.271 2.784 20 5 EFBDHM Cc1c(Oc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cccc1[N+](=O)[O-] ZINC001605499810 1097139678 /nfs/dbraw/zinc/13/96/78/1097139678.db2.gz DZTFVQKIJFZMRB-UHFFFAOYSA-N -1 3 342.271 2.784 20 5 EFBDHM Cc1cc(-c2nnn[n-]2)cc(Oc2ccc([N+](=O)[O-])c3ncccc23)n1 ZINC001605534921 1097150767 /nfs/dbraw/zinc/15/07/67/1097150767.db2.gz MUDCECBRWJILPG-UHFFFAOYSA-N -1 3 349.310 2.819 20 5 EFBDHM Cc1cc(-c2nn[n-]n2)cc(Oc2ccc([N+](=O)[O-])c3ncccc23)n1 ZINC001605534921 1097150770 /nfs/dbraw/zinc/15/07/70/1097150770.db2.gz MUDCECBRWJILPG-UHFFFAOYSA-N -1 3 349.310 2.819 20 5 EFBDHM Cc1cc([C@H](C)Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])c(C)o1 ZINC001605636361 1097175727 /nfs/dbraw/zinc/17/57/27/1097175727.db2.gz YQLOBUIERDYVEH-QMMMGPOBSA-N -1 3 329.320 2.553 20 5 EFBDHM Cc1cc([C@H](C)Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])c(C)o1 ZINC001605636361 1097175728 /nfs/dbraw/zinc/17/57/28/1097175728.db2.gz YQLOBUIERDYVEH-QMMMGPOBSA-N -1 3 329.320 2.553 20 5 EFBDHM Cc1cc(N2CC3(CCC3)C[C@H]2C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605691440 1097196329 /nfs/dbraw/zinc/19/63/29/1097196329.db2.gz DHCMZTYRFIGDSZ-LLVKDONJSA-N -1 3 328.376 2.852 20 5 EFBDHM Cc1cc(N2CC3(CCC3)C[C@H]2C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605691440 1097196332 /nfs/dbraw/zinc/19/63/32/1097196332.db2.gz DHCMZTYRFIGDSZ-LLVKDONJSA-N -1 3 328.376 2.852 20 5 EFBDHM Cc1cc(NC[C@@H](C)c2nccs2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605725958 1097207632 /nfs/dbraw/zinc/20/76/32/1097207632.db2.gz DLWXUTVQZGXGGU-SECBINFHSA-N -1 3 345.388 2.755 20 5 EFBDHM Cc1cc(NC[C@@H](C)c2nccs2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605725958 1097207636 /nfs/dbraw/zinc/20/76/36/1097207636.db2.gz DLWXUTVQZGXGGU-SECBINFHSA-N -1 3 345.388 2.755 20 5 EFBDHM Cc1cc(N[C@H]2CCc3cc(-c4nnn[n-]4)ccc32)ncc1[N+](=O)[O-] ZINC001605724393 1097208264 /nfs/dbraw/zinc/20/82/64/1097208264.db2.gz WBNMIORTSWVFAI-ZDUSSCGKSA-N -1 3 337.343 2.578 20 5 EFBDHM Cc1cc(N[C@H]2CCc3cc(-c4nn[n-]n4)ccc32)ncc1[N+](=O)[O-] ZINC001605724393 1097208268 /nfs/dbraw/zinc/20/82/68/1097208268.db2.gz WBNMIORTSWVFAI-ZDUSSCGKSA-N -1 3 337.343 2.578 20 5 EFBDHM Cc1cc(N[C@@H](C)c2cccc(O)c2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605739200 1097211713 /nfs/dbraw/zinc/21/17/13/1097211713.db2.gz QDCAYXKCWHXDOE-JTQLQIEISA-N -1 3 340.343 2.962 20 5 EFBDHM Cc1cc(N[C@@H](C)c2cccc(O)c2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605739200 1097211717 /nfs/dbraw/zinc/21/17/17/1097211717.db2.gz QDCAYXKCWHXDOE-JTQLQIEISA-N -1 3 340.343 2.962 20 5 EFBDHM Cc1cc([N+](=O)[O-])ccc1-c1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC001605755673 1097216663 /nfs/dbraw/zinc/21/66/63/1097216663.db2.gz PBMBYZXADHWIHU-UHFFFAOYSA-N -1 3 349.310 2.800 20 5 EFBDHM Cc1cc([N+](=O)[O-])ccc1-c1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC001605755673 1097216668 /nfs/dbraw/zinc/21/66/68/1097216668.db2.gz PBMBYZXADHWIHU-UHFFFAOYSA-N -1 3 349.310 2.800 20 5 EFBDHM Cc1ccc(COc2ccc(C)c([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC001605859277 1097255283 /nfs/dbraw/zinc/25/52/83/1097255283.db2.gz RGQWPOSYJPGRNQ-UHFFFAOYSA-N -1 3 325.328 2.971 20 5 EFBDHM Cc1ccc(COc2ccc(C)c([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC001605859277 1097255291 /nfs/dbraw/zinc/25/52/91/1097255291.db2.gz RGQWPOSYJPGRNQ-UHFFFAOYSA-N -1 3 325.328 2.971 20 5 EFBDHM Cc1csc(NC(=O)c2cc(C)ccc2[N+](=O)[O-])c1-c1nnn[n-]1 ZINC001605884653 1097264799 /nfs/dbraw/zinc/26/47/99/1097264799.db2.gz SVSHWJCSSAJIPF-UHFFFAOYSA-N -1 3 344.356 2.706 20 5 EFBDHM Cc1csc(NC(=O)c2cc(C)ccc2[N+](=O)[O-])c1-c1nn[n-]n1 ZINC001605884653 1097264802 /nfs/dbraw/zinc/26/48/02/1097264802.db2.gz SVSHWJCSSAJIPF-UHFFFAOYSA-N -1 3 344.356 2.706 20 5 EFBDHM Cc1ccc2c(c1)CN(c1cc(-c3nnn[n-]3)ccc1[N+](=O)[O-])CC2 ZINC001605888807 1097266972 /nfs/dbraw/zinc/26/69/72/1097266972.db2.gz PFBNIIDTUWIRAN-UHFFFAOYSA-N -1 3 336.355 2.646 20 5 EFBDHM Cc1ccc2c(c1)CN(c1cc(-c3nn[n-]n3)ccc1[N+](=O)[O-])CC2 ZINC001605888807 1097266976 /nfs/dbraw/zinc/26/69/76/1097266976.db2.gz PFBNIIDTUWIRAN-UHFFFAOYSA-N -1 3 336.355 2.646 20 5 EFBDHM Cc1cccc2c1CN(c1ccc(-c3nnn[n-]3)cc1[N+](=O)[O-])CC2 ZINC001605929524 1097277925 /nfs/dbraw/zinc/27/79/25/1097277925.db2.gz GGIHRBPJBPUMIX-UHFFFAOYSA-N -1 3 336.355 2.646 20 5 EFBDHM Cc1cccc2c1CN(c1ccc(-c3nn[n-]n3)cc1[N+](=O)[O-])CC2 ZINC001605929524 1097277931 /nfs/dbraw/zinc/27/79/31/1097277931.db2.gz GGIHRBPJBPUMIX-UHFFFAOYSA-N -1 3 336.355 2.646 20 5 EFBDHM Cc1csc([C@@H](C)Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)n1 ZINC001606001819 1097294426 /nfs/dbraw/zinc/29/44/26/1097294426.db2.gz WZTGVPCAZXWFQT-MRVPVSSYSA-N -1 3 331.361 2.713 20 5 EFBDHM O=Cc1ccc(Oc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])cc1F ZINC001607056331 1097504314 /nfs/dbraw/zinc/50/43/14/1097504314.db2.gz BUAOEABWUAGQRB-UHFFFAOYSA-N -1 3 329.247 2.519 20 5 EFBDHM O=Cc1ccc(Oc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])cc1F ZINC001607056331 1097504319 /nfs/dbraw/zinc/50/43/19/1097504319.db2.gz BUAOEABWUAGQRB-UHFFFAOYSA-N -1 3 329.247 2.519 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1SCc1ccccn1 ZINC001607076833 1097505318 /nfs/dbraw/zinc/50/53/18/1097505318.db2.gz BWNUONOLEPIAKL-UHFFFAOYSA-N -1 3 332.320 2.601 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NC[C@H]1CCCCS1 ZINC001607077614 1097505903 /nfs/dbraw/zinc/50/59/03/1097505903.db2.gz PUHFTNATCLRTFG-MRVPVSSYSA-N -1 3 338.368 2.612 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NC[C@H]1CCCCS1 ZINC001607077614 1097505910 /nfs/dbraw/zinc/50/59/10/1097505910.db2.gz PUHFTNATCLRTFG-MRVPVSSYSA-N -1 3 338.368 2.612 20 5 EFBDHM O=[N+]([O-])c1cc(F)ccc1COc1ccc(-c2nnn[n-]2)cc1F ZINC001607078502 1097506203 /nfs/dbraw/zinc/50/62/03/1097506203.db2.gz DETYTHHBZMTSHW-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1cc(F)ccc1COc1ccc(-c2nn[n-]n2)cc1F ZINC001607078502 1097506205 /nfs/dbraw/zinc/50/62/05/1097506205.db2.gz DETYTHHBZMTSHW-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1CSCC[C@@H]1CCCO1 ZINC001607079069 1097506214 /nfs/dbraw/zinc/50/62/14/1097506214.db2.gz GKPGWUKEJRXUMP-LBPRGKRZSA-N -1 3 335.389 2.577 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1CSCC[C@@H]1CCCO1 ZINC001607079069 1097506218 /nfs/dbraw/zinc/50/62/18/1097506218.db2.gz GKPGWUKEJRXUMP-LBPRGKRZSA-N -1 3 335.389 2.577 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NCCc1cccc(F)c1 ZINC001607077990 1097506258 /nfs/dbraw/zinc/50/62/58/1097506258.db2.gz XELBQINLMIWIRB-UHFFFAOYSA-N -1 3 346.297 2.708 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NCCc1cccc(F)c1 ZINC001607077990 1097506260 /nfs/dbraw/zinc/50/62/60/1097506260.db2.gz XELBQINLMIWIRB-UHFFFAOYSA-N -1 3 346.297 2.708 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N[C@H]1CCCc2sccc21 ZINC001607079702 1097506473 /nfs/dbraw/zinc/50/64/73/1097506473.db2.gz CWGABIHAQAKCNP-JTQLQIEISA-N -1 3 343.372 2.721 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N[C@H]1CCCc2sccc21 ZINC001607079702 1097506479 /nfs/dbraw/zinc/50/64/79/1097506479.db2.gz CWGABIHAQAKCNP-JTQLQIEISA-N -1 3 343.372 2.721 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCc2c1cccc2F ZINC001607078723 1097507464 /nfs/dbraw/zinc/50/74/64/1097507464.db2.gz DILHOSOOPAOEFA-UHFFFAOYSA-N -1 3 326.291 2.608 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCc2c1cccc2F ZINC001607078723 1097507468 /nfs/dbraw/zinc/50/74/68/1097507468.db2.gz DILHOSOOPAOEFA-UHFFFAOYSA-N -1 3 326.291 2.608 20 5 EFBDHM O=[N+]([O-])c1ccc(NC[C@H]2CCC3(CCCC3)O2)c(-c2nnn[n-]2)c1 ZINC001607082271 1097508351 /nfs/dbraw/zinc/50/83/51/1097508351.db2.gz LXQAMDHWOWSLJK-GFCCVEGCSA-N -1 3 344.375 2.679 20 5 EFBDHM O=[N+]([O-])c1ccc(NC[C@H]2CCC3(CCCC3)O2)c(-c2nn[n-]n2)c1 ZINC001607082271 1097508357 /nfs/dbraw/zinc/50/83/57/1097508357.db2.gz LXQAMDHWOWSLJK-GFCCVEGCSA-N -1 3 344.375 2.679 20 5 EFBDHM O=[N+]([O-])c1ccc(OCCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001607082844 1097508657 /nfs/dbraw/zinc/50/86/57/1097508657.db2.gz VTZKIVXAESVOPU-UHFFFAOYSA-N -1 3 341.327 2.623 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@@H]2C[C@H]2c2cccc(F)c2)c(-c2nnn[n-]2)c1 ZINC001607082140 1097508819 /nfs/dbraw/zinc/50/88/19/1097508819.db2.gz MTRZFISMPJYVNY-SWLSCSKDSA-N -1 3 340.318 2.882 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@@H]2C[C@H]2c2cccc(F)c2)c(-c2nn[n-]n2)c1 ZINC001607082140 1097508822 /nfs/dbraw/zinc/50/88/22/1097508822.db2.gz MTRZFISMPJYVNY-SWLSCSKDSA-N -1 3 340.318 2.882 20 5 EFBDHM O=[N+]([O-])c1ccc(NC[C@H]2CCC3(CCC3)CO2)c(-c2nnn[n-]2)c1 ZINC001607082929 1097509001 /nfs/dbraw/zinc/50/90/01/1097509001.db2.gz WZMXSXPGXPQNOR-GFCCVEGCSA-N -1 3 344.375 2.536 20 5 EFBDHM O=[N+]([O-])c1ccc(NC[C@H]2CCC3(CCC3)CO2)c(-c2nn[n-]n2)c1 ZINC001607082929 1097509005 /nfs/dbraw/zinc/50/90/05/1097509005.db2.gz WZMXSXPGXPQNOR-GFCCVEGCSA-N -1 3 344.375 2.536 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CCC[C@@H]1c1ccccn1 ZINC001607083133 1097509493 /nfs/dbraw/zinc/50/94/93/1097509493.db2.gz XUAWWICXAGFAQF-CYBMUJFWSA-N -1 3 337.343 2.511 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CCC[C@@H]1c1ccccn1 ZINC001607083133 1097509498 /nfs/dbraw/zinc/50/94/98/1097509498.db2.gz XUAWWICXAGFAQF-CYBMUJFWSA-N -1 3 337.343 2.511 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CSCC[C@H]1CCCCO1 ZINC001607083424 1097509539 /nfs/dbraw/zinc/50/95/39/1097509539.db2.gz FRRLIQMKSGMSSA-LLVKDONJSA-N -1 3 349.416 2.967 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1CSCC[C@H]1CCCCO1 ZINC001607083424 1097509548 /nfs/dbraw/zinc/50/95/48/1097509548.db2.gz FRRLIQMKSGMSSA-LLVKDONJSA-N -1 3 349.416 2.967 20 5 EFBDHM O=[N+]([O-])c1cccc(Oc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001607084707 1097510484 /nfs/dbraw/zinc/51/04/84/1097510484.db2.gz UNTGQPUIIYAFAC-UHFFFAOYSA-N -1 3 346.234 2.615 20 5 EFBDHM COc1ccc([C@H](NCc2ccc(C)c([N+](=O)[O-])c2)C(=O)[O-])cc1 ZINC001607234689 1097568158 /nfs/dbraw/zinc/56/81/58/1097568158.db2.gz NCWHMJFISINBBY-INIZCTEOSA-N -1 3 330.340 2.827 20 5 EFBDHM C[C@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@]1(C)C(=O)[O-] ZINC001607478401 1097636556 /nfs/dbraw/zinc/63/65/56/1097636556.db2.gz KVLAXFVMYPQQPT-GTNSWQLSSA-N -1 3 345.355 2.792 20 5 EFBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCc3ccc(O)cc3CC2)c1 ZINC001608914219 1098069325 /nfs/dbraw/zinc/06/93/25/1098069325.db2.gz FWWYBTNZMCFJDA-UHFFFAOYSA-N -1 3 342.351 2.599 20 5 EFBDHM CC(C)C[C@@H]1C[C@H]1C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609097615 1098144639 /nfs/dbraw/zinc/14/46/39/1098144639.db2.gz JNOAXCYUNCNGGW-ZYHUDNBSSA-N -1 3 345.359 2.500 20 5 EFBDHM CC(C)C[C@@H]1C[C@H]1C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609097615 1098144643 /nfs/dbraw/zinc/14/46/43/1098144643.db2.gz JNOAXCYUNCNGGW-ZYHUDNBSSA-N -1 3 345.359 2.500 20 5 EFBDHM C[C@@H](C1CC1)n1cc(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cn1 ZINC001609108658 1098149805 /nfs/dbraw/zinc/14/98/05/1098149805.db2.gz SYNBJFIGKPGPAC-VIFPVBQESA-N -1 3 340.347 2.686 20 5 EFBDHM C[C@@H](C1CC1)n1cc(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cn1 ZINC001609108658 1098149812 /nfs/dbraw/zinc/14/98/12/1098149812.db2.gz SYNBJFIGKPGPAC-VIFPVBQESA-N -1 3 340.347 2.686 20 5 EFBDHM CC1(C)CC[C@H](C(=O)OCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001609145072 1098168308 /nfs/dbraw/zinc/16/83/08/1098168308.db2.gz YWBJWUXYYKSTSN-JTQLQIEISA-N -1 3 345.359 2.644 20 5 EFBDHM CC1(C)CC[C@H](C(=O)OCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001609145072 1098168309 /nfs/dbraw/zinc/16/83/09/1098168309.db2.gz YWBJWUXYYKSTSN-JTQLQIEISA-N -1 3 345.359 2.644 20 5 EFBDHM C[C@]1(c2ccccc2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609151542 1098171606 /nfs/dbraw/zinc/17/16/06/1098171606.db2.gz LOUWZVJSBWITJG-DOTOQJQBSA-N -1 3 336.355 2.917 20 5 EFBDHM C[C@H]1Cc2ccccc2CN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609178096 1098182845 /nfs/dbraw/zinc/18/28/45/1098182845.db2.gz LRPGKLDQHSKQNM-NSHDSACASA-N -1 3 336.355 2.726 20 5 EFBDHM C[C@H]1Cc2ccccc2CN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609178096 1098182848 /nfs/dbraw/zinc/18/28/48/1098182848.db2.gz LRPGKLDQHSKQNM-NSHDSACASA-N -1 3 336.355 2.726 20 5 EFBDHM CCCO[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC001609216145 1098207105 /nfs/dbraw/zinc/20/71/05/1098207105.db2.gz LFMUUDHJNWXWCJ-CYBMUJFWSA-N -1 3 346.391 2.560 20 5 EFBDHM CCn1c(C)nc([N+](=O)[O-])c1Sc1ccc(-c2nnn[n-]2)cc1F ZINC001609256875 1098229352 /nfs/dbraw/zinc/22/93/52/1098229352.db2.gz NTMDPIMTMMSCHK-UHFFFAOYSA-N -1 3 349.351 2.590 20 5 EFBDHM CCn1c(C)nc([N+](=O)[O-])c1Sc1ccc(-c2nn[n-]n2)cc1F ZINC001609256875 1098229356 /nfs/dbraw/zinc/22/93/56/1098229356.db2.gz NTMDPIMTMMSCHK-UHFFFAOYSA-N -1 3 349.351 2.590 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1OCc1ccc(-c2nnn[n-]2)cc1C ZINC001609348869 1098260124 /nfs/dbraw/zinc/26/01/24/1098260124.db2.gz OINSWHINUPSPSG-UHFFFAOYSA-N -1 3 341.327 2.671 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1OCc1ccc(-c2nn[n-]n2)cc1C ZINC001609348869 1098260129 /nfs/dbraw/zinc/26/01/29/1098260129.db2.gz OINSWHINUPSPSG-UHFFFAOYSA-N -1 3 341.327 2.671 20 5 EFBDHM COc1ccc(COc2cc(F)cc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC001609356255 1098264354 /nfs/dbraw/zinc/26/43/54/1098264354.db2.gz HPMVJUFZDQACMI-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1ccc(COc2cc(F)cc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC001609356255 1098264360 /nfs/dbraw/zinc/26/43/60/1098264360.db2.gz HPMVJUFZDQACMI-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM C[C@@H](Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC001609374829 1098272942 /nfs/dbraw/zinc/27/29/42/1098272942.db2.gz BOTNZEVUTCMESC-MRVPVSSYSA-N -1 3 345.750 2.996 20 5 EFBDHM C[C@@H](Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC001609374829 1098272948 /nfs/dbraw/zinc/27/29/48/1098272948.db2.gz BOTNZEVUTCMESC-MRVPVSSYSA-N -1 3 345.750 2.996 20 5 EFBDHM O=[N+]([O-])c1cc(N2CC[C@@H](c3ccccc3)C2)ccc1-c1nnn[n-]1 ZINC001609600788 1098393611 /nfs/dbraw/zinc/39/36/11/1098393611.db2.gz DPNVDSYFCXEZKB-CYBMUJFWSA-N -1 3 336.355 2.769 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCc1ccc(F)cc1 ZINC001609600592 1098394906 /nfs/dbraw/zinc/39/49/06/1098394906.db2.gz SOCIQGXEYHCFMI-UHFFFAOYSA-N -1 3 328.307 2.569 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCc1ccc(F)cc1 ZINC001609600592 1098394909 /nfs/dbraw/zinc/39/49/09/1098394909.db2.gz SOCIQGXEYHCFMI-UHFFFAOYSA-N -1 3 328.307 2.569 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCC[C@H]1CCCCO1 ZINC001609599957 1098394920 /nfs/dbraw/zinc/39/49/20/1098394920.db2.gz JXVAFRGUDASBLB-GFCCVEGCSA-N -1 3 332.364 2.536 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCC[C@H]1CCCCO1 ZINC001609599957 1098394924 /nfs/dbraw/zinc/39/49/24/1098394924.db2.gz JXVAFRGUDASBLB-GFCCVEGCSA-N -1 3 332.364 2.536 20 5 EFBDHM O=[N+]([O-])c1cc(NCCc2cc3ccccc3[nH]2)ccc1-c1nnn[n-]1 ZINC001609601472 1098395456 /nfs/dbraw/zinc/39/54/56/1098395456.db2.gz YHWYELMHNBCQOB-UHFFFAOYSA-N -1 3 349.354 2.911 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)nc1 ZINC001609602074 1098395531 /nfs/dbraw/zinc/39/55/31/1098395531.db2.gz MWWZINGUMGFXRN-AWEZNQCLSA-N -1 3 337.343 2.659 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)nc1 ZINC001609602074 1098395538 /nfs/dbraw/zinc/39/55/38/1098395538.db2.gz MWWZINGUMGFXRN-AWEZNQCLSA-N -1 3 337.343 2.659 20 5 EFBDHM O=[N+]([O-])c1ccc(OCc2ccc(-c3nnn[n-]3)cc2F)cc1F ZINC001609602348 1098395707 /nfs/dbraw/zinc/39/57/07/1098395707.db2.gz KFGUHMSUOLXIPP-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1ccc(OCc2ccc(-c3nn[n-]n3)cc2F)cc1F ZINC001609602348 1098395712 /nfs/dbraw/zinc/39/57/12/1098395712.db2.gz KFGUHMSUOLXIPP-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1cc(N2CCSC3(CCC3)CC2)ccc1-c1nnn[n-]1 ZINC001609601249 1098395769 /nfs/dbraw/zinc/39/57/69/1098395769.db2.gz TWGWYYSZUCZQPV-UHFFFAOYSA-N -1 3 346.416 2.641 20 5 EFBDHM O=[N+]([O-])c1ccc(NCc2cccc3cccnc32)c(-c2nnn[n-]2)c1 ZINC001609602194 1098396005 /nfs/dbraw/zinc/39/60/05/1098396005.db2.gz PWYYNOYSWRYEAT-UHFFFAOYSA-N -1 3 347.338 2.935 20 5 EFBDHM O=[N+]([O-])c1ccc(NCc2cccc3cccnc32)c(-c2nn[n-]n2)c1 ZINC001609602194 1098396013 /nfs/dbraw/zinc/39/60/13/1098396013.db2.gz PWYYNOYSWRYEAT-UHFFFAOYSA-N -1 3 347.338 2.935 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC001609601547 1098396289 /nfs/dbraw/zinc/39/62/89/1098396289.db2.gz MZKMGPDQUGUKKK-VBQJREDUSA-N -1 3 348.366 2.773 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC001609601547 1098396292 /nfs/dbraw/zinc/39/62/92/1098396292.db2.gz MZKMGPDQUGUKKK-VBQJREDUSA-N -1 3 348.366 2.773 20 5 EFBDHM O=[N+]([O-])c1cc(N2CCC3(CCCC3)CC2)ccc1-c1nnn[n-]1 ZINC001609601379 1098396542 /nfs/dbraw/zinc/39/65/42/1098396542.db2.gz WRJCNCBHLLGQHM-UHFFFAOYSA-N -1 3 328.376 2.936 20 5 EFBDHM O=[N+]([O-])c1ccc(NC[C@@H]2C[C@H]2c2ccccc2)c(-c2nnn[n-]2)c1 ZINC001609602386 1098396557 /nfs/dbraw/zinc/39/65/57/1098396557.db2.gz WXVOAERZDWTTIW-JSGCOSHPSA-N -1 3 336.355 2.991 20 5 EFBDHM O=[N+]([O-])c1ccc(NC[C@@H]2C[C@H]2c2ccccc2)c(-c2nn[n-]n2)c1 ZINC001609602386 1098396560 /nfs/dbraw/zinc/39/65/60/1098396560.db2.gz WXVOAERZDWTTIW-JSGCOSHPSA-N -1 3 336.355 2.991 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCc1cc2ccccc2[nH]1 ZINC001609601641 1098396817 /nfs/dbraw/zinc/39/68/17/1098396817.db2.gz SHCOIGZFXQJJOU-UHFFFAOYSA-N -1 3 335.327 2.868 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCc1cc2ccccc2[nH]1 ZINC001609601641 1098396824 /nfs/dbraw/zinc/39/68/24/1098396824.db2.gz SHCOIGZFXQJJOU-UHFFFAOYSA-N -1 3 335.327 2.868 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CCC=C(c3ccco3)C2)c(-c2nnn[n-]2)c1 ZINC001609601731 1098396919 /nfs/dbraw/zinc/39/69/19/1098396919.db2.gz XELXJKFQSHDWTA-UHFFFAOYSA-N -1 3 338.327 2.662 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CCC=C(c3ccco3)C2)c(-c2nn[n-]n2)c1 ZINC001609601731 1098396925 /nfs/dbraw/zinc/39/69/25/1098396925.db2.gz XELXJKFQSHDWTA-UHFFFAOYSA-N -1 3 338.327 2.662 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC001609601544 1098396961 /nfs/dbraw/zinc/39/69/61/1098396961.db2.gz MZKMGPDQUGUKKK-CKEIUWERSA-N -1 3 348.366 2.773 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC001609601544 1098396966 /nfs/dbraw/zinc/39/69/66/1098396966.db2.gz MZKMGPDQUGUKKK-CKEIUWERSA-N -1 3 348.366 2.773 20 5 EFBDHM O=C([O-])[C@H](NC/C=C\c1ccccc1[N+](=O)[O-])c1cccc(O)c1 ZINC001610719414 1098845732 /nfs/dbraw/zinc/84/57/32/1098845732.db2.gz XQNCMPZIKFYADK-HQQUCIOCSA-N -1 3 328.324 2.729 20 5 EFBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[C@H](C[C@@H]3CCOC3)C2)c1 ZINC001610842415 1098928473 /nfs/dbraw/zinc/92/84/73/1098928473.db2.gz WQRJYNFJVNOARG-KGLIPLIRSA-N -1 3 348.399 2.932 20 5 EFBDHM CC/C=C(\C)C(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCC1 ZINC001111759531 1102088490 /nfs/dbraw/zinc/08/84/90/1102088490.db2.gz VZBOLWXAYFHOGT-VZUCSPMQSA-N -1 3 334.376 2.503 20 5 EFBDHM COCCCO[N-]C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000897754989 1106072709 /nfs/dbraw/zinc/07/27/09/1106072709.db2.gz AJQSUMLEBCXFRI-UHFFFAOYSA-N -1 3 341.122 2.739 20 5 EFBDHM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000436755765 1108540043 /nfs/dbraw/zinc/54/00/43/1108540043.db2.gz NKSGEKUXZMDNJB-UHFFFAOYSA-N -1 3 330.296 2.898 20 5 EFBDHM CCN(CCNc1nc(C)ccc1[N+](=O)[O-])C(=O)c1ccccc1[O-] ZINC001106694942 1111723468 /nfs/dbraw/zinc/72/34/68/1111723468.db2.gz JZYLUBNFRJZKRK-UHFFFAOYSA-N -1 3 344.371 2.578 20 5 EFBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C(C)=C1CCCC1 ZINC001106721522 1111757805 /nfs/dbraw/zinc/75/78/05/1111757805.db2.gz AFHMRIBECXBZIF-UHFFFAOYSA-N -1 3 348.403 2.846 20 5 EFBDHM O=C(C=C1CCCCC1)NC/C=C\CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107108376 1120673884 /nfs/dbraw/zinc/67/38/84/1120673884.db2.gz YXIZXHVMDQGAHP-PLNGDYQASA-N -1 3 346.387 2.670 20 5 EFBDHM Cn1cc(C(=O)Nc2ccccc2[O-])c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000053791314 214198986 /nfs/dbraw/zinc/19/89/86/214198986.db2.gz TUDUBYPZUOUSJZ-UHFFFAOYSA-N -1 3 338.323 2.953 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCCc3occc32)c([N+](=O)[O-])c1 ZINC000101570633 219140812 /nfs/dbraw/zinc/14/08/12/219140812.db2.gz OAUKFRCQSPLDPZ-LBPRGKRZSA-N -1 3 336.369 2.852 20 5 EFBDHM O=C(Nc1cc(C(F)(F)F)ccc1O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193471385 240106662 /nfs/dbraw/zinc/10/66/62/240106662.db2.gz YJOBUOADEDFADU-UHFFFAOYSA-N -1 3 343.217 2.672 20 5 EFBDHM CN(c1ccc([O-])cc1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000194207749 240143079 /nfs/dbraw/zinc/14/30/79/240143079.db2.gz WRIJAMJEKGDNKN-UHFFFAOYSA-N -1 3 342.760 2.779 20 5 EFBDHM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)c1 ZINC000194628846 240169036 /nfs/dbraw/zinc/16/90/36/240169036.db2.gz PPQQVHUFXIKNTF-UHFFFAOYSA-N -1 3 332.259 2.813 20 5 EFBDHM CSC1(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CCC1 ZINC000194008436 240398828 /nfs/dbraw/zinc/39/88/28/240398828.db2.gz JUIWOJJCKMUZAI-UHFFFAOYSA-N -1 3 344.458 2.776 20 5 EFBDHM CNc1nc(C(=O)[N-]c2cc(C3(C)CCCC3)on2)ccc1[N+](=O)[O-] ZINC000412291177 243248226 /nfs/dbraw/zinc/24/82/26/243248226.db2.gz RAGQYDAPBOFAIW-UHFFFAOYSA-N -1 3 345.359 2.525 20 5 EFBDHM CO[C@H](C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(C)(C)C ZINC000080616203 217319576 /nfs/dbraw/zinc/31/95/76/217319576.db2.gz UVSAMAMZQRRKJX-CQSZACIVSA-N -1 3 344.433 2.551 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000442750340 250110435 /nfs/dbraw/zinc/11/04/35/250110435.db2.gz PNHLFMIEIIMGMF-LLVKDONJSA-N -1 3 342.417 2.851 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CCCC(C)(C)C1 ZINC000442760787 250112822 /nfs/dbraw/zinc/11/28/22/250112822.db2.gz OFDMMUDGZXAERN-NSHDSACASA-N -1 3 342.417 2.851 20 5 EFBDHM CCc1ccc([O-])c(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000444633341 250320580 /nfs/dbraw/zinc/32/05/80/250320580.db2.gz SMFICMSGPNXKHY-UHFFFAOYSA-N -1 3 340.339 2.669 20 5 EFBDHM CO[C@@H]1CCC[C@H](C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)C1 ZINC000449832043 251171072 /nfs/dbraw/zinc/17/10/72/251171072.db2.gz AEJIHXCGFKHZDY-GXTWGEPZSA-N -1 3 344.371 2.551 20 5 EFBDHM CC(C)OC(C)(C)C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000449834453 251172040 /nfs/dbraw/zinc/17/20/40/251172040.db2.gz LKMDCGKVFMVAEN-UHFFFAOYSA-N -1 3 332.360 2.549 20 5 EFBDHM CS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000117374772 221058816 /nfs/dbraw/zinc/05/88/16/221058816.db2.gz NJNITKJAKQQGIR-QWRGUYRKSA-N -1 3 330.431 2.547 20 5 EFBDHM CC1(C(=O)N[C@H]2C[C@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)CCCCC1 ZINC001059398147 724382280 /nfs/dbraw/zinc/38/22/80/724382280.db2.gz LRVVSLDZQFNOSB-HAQNSBGRSA-N -1 3 348.403 2.725 20 5 EFBDHM COC(=O)c1cnc([N-]C(=O)c2c(Cl)cccc2[N+](=O)[O-])s1 ZINC000346782726 292030639 /nfs/dbraw/zinc/03/06/39/292030639.db2.gz NKJXVPCUWHMHJK-UHFFFAOYSA-N -1 3 341.732 2.744 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-]Cc2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000343506374 142009199 /nfs/dbraw/zinc/00/91/99/142009199.db2.gz NRQKGOOTBUYVTI-UHFFFAOYSA-N -1 3 348.352 2.721 20 5 EFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(C)n2C2CC2)c1 ZINC000347587668 142240336 /nfs/dbraw/zinc/24/03/36/142240336.db2.gz AHFALHIYYKXJKG-UHFFFAOYSA-N -1 3 333.373 2.804 20 5 EFBDHM O=C([N-]c1cc(F)cc([N+](=O)[O-])c1)c1cnc(-c2ncccn2)s1 ZINC000347950686 142298491 /nfs/dbraw/zinc/29/84/91/142298491.db2.gz IMQCHGAAUTYJIP-UHFFFAOYSA-N -1 3 345.315 2.900 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000352739493 142542628 /nfs/dbraw/zinc/54/26/28/142542628.db2.gz ZBDJDHYUDJHTSX-NWDGAFQWSA-N -1 3 342.417 2.708 20 5 EFBDHM Cc1ccccc1-c1cc(=NC(=O)c2cccc([N+](=O)[O-])c2N)[nH][n-]1 ZINC000342163028 145073341 /nfs/dbraw/zinc/07/33/41/145073341.db2.gz XNOZDMFSFYUXIB-UHFFFAOYSA-N -1 3 337.339 2.550 20 5 EFBDHM Cc1ncc(CNc2ccc(Br)cc2[N+](=O)[O-])c(=O)[n-]1 ZINC000343597595 145248509 /nfs/dbraw/zinc/24/85/09/145248509.db2.gz IAWVRAACFIBFOY-UHFFFAOYSA-N -1 3 339.149 2.773 20 5 EFBDHM COC(=O)c1ccccc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000351485485 146128522 /nfs/dbraw/zinc/12/85/22/146128522.db2.gz RCHMPPYLEQAVRI-UHFFFAOYSA-N -1 3 340.295 2.510 20 5 EFBDHM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1ncoc1[C@@H]1CCCO1 ZINC000359414812 148079208 /nfs/dbraw/zinc/07/92/08/148079208.db2.gz RHOPZOULVXDCOH-LBPRGKRZSA-N -1 3 333.300 2.695 20 5 EFBDHM CC[C@@H](C)N[C@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccco1 ZINC000359538226 148114608 /nfs/dbraw/zinc/11/46/08/148114608.db2.gz HKCKBLPURPEPHP-IAQYHMDHSA-N -1 3 347.371 2.753 20 5 EFBDHM COc1c(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)cccc1[N+](=O)[O-] ZINC000359844290 148205874 /nfs/dbraw/zinc/20/58/74/148205874.db2.gz NDSLKUOKUSYQTP-UHFFFAOYSA-N -1 3 343.299 2.542 20 5 EFBDHM COc1c(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)cccc1[N+](=O)[O-] ZINC000359844290 148205877 /nfs/dbraw/zinc/20/58/77/148205877.db2.gz NDSLKUOKUSYQTP-UHFFFAOYSA-N -1 3 343.299 2.542 20 5 EFBDHM COc1ccc([N-]C(=O)c2ncoc2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000360001618 148245579 /nfs/dbraw/zinc/24/55/79/148245579.db2.gz AVPLJAOGAZHAEO-LBPRGKRZSA-N -1 3 333.300 2.695 20 5 EFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C)Cc2ccncc2)c1[N+](=O)[O-] ZINC000360023621 148252284 /nfs/dbraw/zinc/25/22/84/148252284.db2.gz KZUPGTRDEGUPFO-CYBMUJFWSA-N -1 3 349.412 2.516 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)Cc2ccncc2)c1C ZINC000360234511 148307230 /nfs/dbraw/zinc/30/72/30/148307230.db2.gz NUVWDCDNGWVPSV-LBPRGKRZSA-N -1 3 349.412 2.516 20 5 EFBDHM C[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000360355212 148340021 /nfs/dbraw/zinc/34/00/21/148340021.db2.gz YBILRHIXGMLVIJ-VHSXEESVSA-N -1 3 332.809 2.963 20 5 EFBDHM CCOC[C@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(C)C ZINC000188397637 286169360 /nfs/dbraw/zinc/16/93/60/286169360.db2.gz RDVWNVRTIFTIEL-ZDUSSCGKSA-N -1 3 344.433 2.551 20 5 EFBDHM CN(C)CCN(Cc1cccs1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164905892 226103314 /nfs/dbraw/zinc/10/33/14/226103314.db2.gz QUMMLUIPKHFAEQ-UHFFFAOYSA-N -1 3 349.412 2.566 20 5 EFBDHM CC[C@H](C)N[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccco1 ZINC000436714457 287625352 /nfs/dbraw/zinc/62/53/52/287625352.db2.gz METIZLFDHGICFE-WCQYABFASA-N -1 3 347.371 2.753 20 5 EFBDHM NC(=O)c1ccc(F)c([N-]C(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000047330152 272981117 /nfs/dbraw/zinc/98/11/17/272981117.db2.gz BDRXELXORZKVDP-UHFFFAOYSA-N -1 3 337.694 2.739 20 5 EFBDHM C[C@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000272178772 266178809 /nfs/dbraw/zinc/17/88/09/266178809.db2.gz SEAACYAIHQMPKY-VIFPVBQESA-N -1 3 344.314 2.533 20 5 EFBDHM Cc1c([C@@H](C)[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cnn1C ZINC000272237495 266200481 /nfs/dbraw/zinc/20/04/81/266200481.db2.gz QFKUCCZAATTWTL-SECBINFHSA-N -1 3 338.314 2.606 20 5 EFBDHM O=C([N-][C@@H]1CCCc2c[nH]nc21)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272343951 266234835 /nfs/dbraw/zinc/23/48/35/266234835.db2.gz NLYNSCLRITVMMT-GFCCVEGCSA-N -1 3 336.298 2.604 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(OCCC(=O)[N-]OCCC(F)(F)F)c1 ZINC000275089937 266749857 /nfs/dbraw/zinc/74/98/57/266749857.db2.gz QJFXYHRHVZHDFJ-UHFFFAOYSA-N -1 3 336.266 2.672 20 5 EFBDHM COC(=O)c1cc([N-]C(=O)c2oc(C)nc2C)c(C)c([N+](=O)[O-])c1 ZINC000277112643 267116451 /nfs/dbraw/zinc/11/64/51/267116451.db2.gz ROGFARHODOPGQX-UHFFFAOYSA-N -1 3 333.300 2.547 20 5 EFBDHM CCCCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])c(F)cc2N)s1 ZINC000279176737 273184985 /nfs/dbraw/zinc/18/49/85/273184985.db2.gz HTYSNXHVDNNNHZ-UHFFFAOYSA-N -1 3 339.352 2.763 20 5 EFBDHM CC(C)(C)c1nnc([N-]C(=O)c2cc([N+](=O)[O-])c(F)cc2N)s1 ZINC000279217722 273189521 /nfs/dbraw/zinc/18/95/21/273189521.db2.gz NFCHLNGEBJLPAR-UHFFFAOYSA-N -1 3 339.352 2.717 20 5 EFBDHM CC(C)(C)c1cccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1O ZINC000194030231 273503041 /nfs/dbraw/zinc/50/30/41/273503041.db2.gz HKDOUDKJYGJFDA-UHFFFAOYSA-N -1 3 331.328 2.951 20 5 EFBDHM CCCN(CCN1CCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000286082525 274129905 /nfs/dbraw/zinc/12/99/05/274129905.db2.gz DBPKPWJSJKMPQE-UHFFFAOYSA-N -1 3 335.404 2.639 20 5 EFBDHM Cc1ccc(-n2cc(C(=O)[N-]c3cc(F)cc([N+](=O)[O-])c3)nn2)cc1 ZINC000347954802 280743634 /nfs/dbraw/zinc/74/36/34/280743634.db2.gz KFRUAVBEDWQNSJ-UHFFFAOYSA-N -1 3 341.302 2.875 20 5 EFBDHM O=C(c1ccc2n[n-]nc2c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000126101587 293027191 /nfs/dbraw/zinc/02/71/91/293027191.db2.gz RGCLFWOHUQGQCN-UHFFFAOYSA-N -1 3 337.339 2.671 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-]CCC[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000127133414 293060250 /nfs/dbraw/zinc/06/02/50/293060250.db2.gz JPBRLCNRAZBIOF-NSHDSACASA-N -1 3 348.446 2.592 20 5 EFBDHM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1c(F)cccc1F ZINC000128196484 293094947 /nfs/dbraw/zinc/09/49/47/293094947.db2.gz INAXAGLAUPDBJA-UHFFFAOYSA-N -1 3 332.259 2.813 20 5 EFBDHM O=C(Nc1cccc([O-])c1F)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000129352136 293131844 /nfs/dbraw/zinc/13/18/44/293131844.db2.gz DNISUHOEFUGLRU-UHFFFAOYSA-N -1 3 343.270 2.533 20 5 EFBDHM Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c(CN(C)C)c1 ZINC000130497696 293168352 /nfs/dbraw/zinc/16/83/52/293168352.db2.gz DOBBTDNUEWPWBM-UHFFFAOYSA-N -1 3 329.356 2.923 20 5 EFBDHM O=C(Nc1cc(F)ccc1[O-])c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000132143606 293219086 /nfs/dbraw/zinc/21/90/86/293219086.db2.gz OKZROWNYTBIEPG-UHFFFAOYSA-N -1 3 342.286 2.878 20 5 EFBDHM Cc1noc(C2CC2)c1[N-]C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000152911343 293352409 /nfs/dbraw/zinc/35/24/09/293352409.db2.gz HRCAEKBMFMILBO-UHFFFAOYSA-N -1 3 331.284 2.750 20 5 EFBDHM COc1cc(C(=O)[N-]c2nnc(C(F)(F)F)s2)ccc1[N+](=O)[O-] ZINC000153844678 293397316 /nfs/dbraw/zinc/39/73/16/293397316.db2.gz QTMXWDAALATMER-UHFFFAOYSA-N -1 3 348.262 2.726 20 5 EFBDHM Cc1nn(C)c(C(=O)Nc2ccc([O-])c(COC(C)C)c2)c1[N+](=O)[O-] ZINC000290441978 294087807 /nfs/dbraw/zinc/08/78/07/294087807.db2.gz BEJCUECNTPZSKP-UHFFFAOYSA-N -1 3 348.359 2.520 20 5 EFBDHM COc1cc([C@H]2Nc3ccc(C)cc3C(=O)N2C)c([N+](=O)[O-])cc1[O-] ZINC000153694010 295026592 /nfs/dbraw/zinc/02/65/92/295026592.db2.gz OQAUKRNWTQLVHX-INIZCTEOSA-N -1 3 343.339 2.814 20 5 EFBDHM CCC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)CCCC1 ZINC000295672761 295358318 /nfs/dbraw/zinc/35/83/18/295358318.db2.gz HFWOIKJNUUWEES-UHFFFAOYSA-N -1 3 328.390 2.605 20 5 EFBDHM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000337238073 301206888 /nfs/dbraw/zinc/20/68/88/301206888.db2.gz ZDGNBFWWUDWEIQ-UHFFFAOYSA-N -1 3 329.291 2.874 20 5 EFBDHM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000337238073 301206892 /nfs/dbraw/zinc/20/68/92/301206892.db2.gz ZDGNBFWWUDWEIQ-UHFFFAOYSA-N -1 3 329.291 2.874 20 5 EFBDHM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000337238073 301206895 /nfs/dbraw/zinc/20/68/95/301206895.db2.gz ZDGNBFWWUDWEIQ-UHFFFAOYSA-N -1 3 329.291 2.874 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2F)cc1C ZINC000416588990 301427390 /nfs/dbraw/zinc/42/73/90/301427390.db2.gz IWIRLZAXNMTTDJ-VXGBXAGGSA-N -1 3 330.381 2.771 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCCc2occc21 ZINC000126617929 302048769 /nfs/dbraw/zinc/04/87/69/302048769.db2.gz CPZJCTYLZDEMON-GFCCVEGCSA-N -1 3 336.369 2.852 20 5 EFBDHM CCOc1ccc2nc([N-]C(=O)c3n[nH]cc3[N+](=O)[O-])sc2c1 ZINC000159341029 310686150 /nfs/dbraw/zinc/68/61/50/310686150.db2.gz UMQMYXCDKOMUGD-UHFFFAOYSA-N -1 3 333.329 2.579 20 5 EFBDHM O=C([N-]c1cc2c(cc1F)NC(=O)CC2)c1ccc([N+](=O)[O-])s1 ZINC000163041136 310723726 /nfs/dbraw/zinc/72/37/26/310723726.db2.gz BGVQOLOOGCEPHM-UHFFFAOYSA-N -1 3 335.316 2.932 20 5 EFBDHM COCc1cccc([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC000301985182 311170485 /nfs/dbraw/zinc/17/04/85/311170485.db2.gz JMZAQJYYEZGEEO-UHFFFAOYSA-N -1 3 342.398 2.950 20 5 EFBDHM COc1cc(CN[C@H]2COCc3ccccc32)c([N+](=O)[O-])cc1[O-] ZINC000418099892 312325639 /nfs/dbraw/zinc/32/56/39/312325639.db2.gz OHVWMRCCLAZKIT-AWEZNQCLSA-N -1 3 330.340 2.670 20 5 EFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H]2CCCC2(F)F)c1[N+](=O)[O-] ZINC000451821114 312823958 /nfs/dbraw/zinc/82/39/58/312823958.db2.gz FWUPXUNOINGLHX-LLVKDONJSA-N -1 3 348.371 2.925 20 5 EFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000462303339 313113610 /nfs/dbraw/zinc/11/36/10/313113610.db2.gz QJJUSTMKFBJNIW-JTQLQIEISA-N -1 3 330.381 2.981 20 5 EFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCc2ccccc2)c1[N+](=O)[O-] ZINC000478167522 313249034 /nfs/dbraw/zinc/24/90/34/313249034.db2.gz NFXNPDQVPWETLH-UHFFFAOYSA-N -1 3 334.397 2.733 20 5 EFBDHM COc1cccc2c(C(=O)Nc3ccc(OC)c([N+](=O)[O-])c3)[n-]nc21 ZINC000487032425 313359789 /nfs/dbraw/zinc/35/97/89/313359789.db2.gz GSAKTFYJHQPTBT-UHFFFAOYSA-N -1 3 342.311 2.741 20 5 EFBDHM COc1cccc2c(C(=O)Nc3ccc(OC)c([N+](=O)[O-])c3)n[n-]c21 ZINC000487032425 313359792 /nfs/dbraw/zinc/35/97/92/313359792.db2.gz GSAKTFYJHQPTBT-UHFFFAOYSA-N -1 3 342.311 2.741 20 5 EFBDHM Cc1cc([N-]C(=O)c2n[nH]cc2[N+](=O)[O-])c(F)cc1Br ZINC000490067273 313630350 /nfs/dbraw/zinc/63/03/50/313630350.db2.gz ZNFBYDVSHYESSN-UHFFFAOYSA-N -1 3 343.112 2.780 20 5 EFBDHM Cc1ccc([C@@H](C)NC(=O)/C=C\c2cncc([O-])c2)cc1[N+](=O)[O-] ZINC000492524269 314023759 /nfs/dbraw/zinc/02/37/59/314023759.db2.gz ZYMZCKRIRBAZOF-TXNVCOODSA-N -1 3 327.340 2.894 20 5 EFBDHM C[C@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000519966996 315929448 /nfs/dbraw/zinc/92/94/48/315929448.db2.gz JXEWETPASXZOQT-LLVKDONJSA-N -1 3 338.360 2.816 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-]CCCC(C)(C)C)c([N+](=O)[O-])c1 ZINC000523518894 316128404 /nfs/dbraw/zinc/12/84/04/316128404.db2.gz XTPAOICCMVCIJR-UHFFFAOYSA-N -1 3 330.406 2.708 20 5 EFBDHM CC1(C)Cc2cccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)c2O1 ZINC000530406073 317121587 /nfs/dbraw/zinc/12/15/87/317121587.db2.gz IFRWLYDQKMUEJT-UHFFFAOYSA-N -1 3 329.312 2.661 20 5 EFBDHM CCc1ccc([O-])c(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000535419085 317591552 /nfs/dbraw/zinc/59/15/52/317591552.db2.gz MXASFLZHPCBSIY-UHFFFAOYSA-N -1 3 330.296 2.844 20 5 EFBDHM CCc1[n-][nH]c(=NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c1C ZINC000547276435 317993498 /nfs/dbraw/zinc/99/34/98/317993498.db2.gz QXGDAUBRZXMWKE-UHFFFAOYSA-N -1 3 334.351 2.666 20 5 EFBDHM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1ccc(C(=O)OC)o1 ZINC000547372755 318001706 /nfs/dbraw/zinc/00/17/06/318001706.db2.gz YKCMNMGZNFJQFS-UHFFFAOYSA-N -1 3 334.284 2.625 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]CC(C)(C)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000548862456 318151514 /nfs/dbraw/zinc/15/15/14/318151514.db2.gz RUZLZYOSXGEZOY-UHFFFAOYSA-N -1 3 340.323 2.770 20 5 EFBDHM Cc1[n-][nH]c(=O)c1CCNc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000553380305 318280834 /nfs/dbraw/zinc/28/08/34/318280834.db2.gz MUJSFLIGEDJLCF-MRVPVSSYSA-N -1 3 331.159 2.826 20 5 EFBDHM C[C@@H](NC(=O)N=c1cc2ccccn2[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000554412305 318311649 /nfs/dbraw/zinc/31/16/49/318311649.db2.gz YDSSDXORERLXTO-LLVKDONJSA-N -1 3 325.328 2.547 20 5 EFBDHM COC(=O)c1[n-]cnc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000555526626 318359235 /nfs/dbraw/zinc/35/92/35/318359235.db2.gz GEKYWXSEBPMMCH-UHFFFAOYSA-N -1 3 346.324 2.572 20 5 EFBDHM COC(=O)c1nc[n-]c1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000555526626 318359238 /nfs/dbraw/zinc/35/92/38/318359238.db2.gz GEKYWXSEBPMMCH-UHFFFAOYSA-N -1 3 346.324 2.572 20 5 EFBDHM Cc1cc(N2CCN(C3CC3)C[C@H](C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000567976194 319232416 /nfs/dbraw/zinc/23/24/16/319232416.db2.gz JCVSVWUAZKFHDZ-NSHDSACASA-N -1 3 333.388 2.522 20 5 EFBDHM CNc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000569244244 319362687 /nfs/dbraw/zinc/36/26/87/319362687.db2.gz UJIXKAUUIXKZEG-XJKSGUPXSA-N -1 3 347.396 2.934 20 5 EFBDHM C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC([C@@H]2OCC[C@H]2C(=O)[O-])CC1 ZINC000571219336 319552378 /nfs/dbraw/zinc/55/23/78/319552378.db2.gz CYAXYZAHHAKRRI-MJEQTWJJSA-N -1 3 348.399 2.858 20 5 EFBDHM C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC([C@@H]2OCC[C@@H]2C(=O)[O-])CC1 ZINC000571219337 319552460 /nfs/dbraw/zinc/55/24/60/319552460.db2.gz CYAXYZAHHAKRRI-NUTKFTJISA-N -1 3 348.399 2.858 20 5 EFBDHM O=C([O-])C1(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCCCCC1 ZINC000577617493 320128009 /nfs/dbraw/zinc/12/80/09/320128009.db2.gz BLWDGXXWIZZYRJ-UHFFFAOYSA-N -1 3 332.360 2.738 20 5 EFBDHM C[C@@H](Nc1nccc(C(=O)[O-])c1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000577955497 320159727 /nfs/dbraw/zinc/15/97/27/320159727.db2.gz VYBMLCVRZRDBKJ-RISCZKNCSA-N -1 3 344.371 2.791 20 5 EFBDHM C[C@H](C(=O)Nc1nnc(-c2ccco2)[n-]1)c1ccc([N+](=O)[O-])cc1F ZINC000185800461 323398238 /nfs/dbraw/zinc/39/82/38/323398238.db2.gz BGUYBKGRJSIAFD-QMMMGPOBSA-N -1 3 345.290 2.854 20 5 EFBDHM C[C@H](C(=O)Nc1nc(-c2ccco2)n[n-]1)c1ccc([N+](=O)[O-])cc1F ZINC000185800461 323398241 /nfs/dbraw/zinc/39/82/41/323398241.db2.gz BGUYBKGRJSIAFD-QMMMGPOBSA-N -1 3 345.290 2.854 20 5 EFBDHM C[C@H](C(=O)Nc1n[n-]c(-c2ccco2)n1)c1ccc([N+](=O)[O-])cc1F ZINC000185800461 323398246 /nfs/dbraw/zinc/39/82/46/323398246.db2.gz BGUYBKGRJSIAFD-QMMMGPOBSA-N -1 3 345.290 2.854 20 5 EFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCCCOC(C)C)c1[N+](=O)[O-] ZINC000190139156 533706348 /nfs/dbraw/zinc/70/63/48/533706348.db2.gz DOMBFVLPHNPQEA-UHFFFAOYSA-N -1 3 344.433 2.695 20 5 EFBDHM COC(=O)c1cccc(NC(=O)c2c(C)cccc2[N+](=O)[O-])c1[O-] ZINC000579912965 324053793 /nfs/dbraw/zinc/05/37/93/324053793.db2.gz FOQIPPRUJCLHTO-UHFFFAOYSA-N -1 3 330.296 2.648 20 5 EFBDHM C[C@@H](C(=O)N=c1cc(-c2cccnc2)[n-][nH]1)c1cccc([N+](=O)[O-])c1 ZINC000580029726 324079448 /nfs/dbraw/zinc/07/94/48/324079448.db2.gz VMJUYSXUUKDWBM-LLVKDONJSA-N -1 3 337.339 2.544 20 5 EFBDHM O=C([O-])CCN(Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCOCC1 ZINC000581488426 324389325 /nfs/dbraw/zinc/38/93/25/324389325.db2.gz IABIPJIEZPHXJX-UHFFFAOYSA-N -1 3 342.779 2.704 20 5 EFBDHM O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1ccc2n[n-]nc2c1 ZINC000171135949 473297833 /nfs/dbraw/zinc/29/78/33/473297833.db2.gz RXJBKUBJRXFLNO-UHFFFAOYSA-N -1 3 349.310 2.509 20 5 EFBDHM COCCC(C)(C)C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000185036938 473306876 /nfs/dbraw/zinc/30/68/76/473306876.db2.gz UUCOWFMIAGXWRF-UHFFFAOYSA-N -1 3 344.433 2.553 20 5 EFBDHM Cc1[n-][nH]c(=O)c1CCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000611182192 469186544 /nfs/dbraw/zinc/18/65/44/469186544.db2.gz DLNOMPGTJPKVJZ-ZDUSSCGKSA-N -1 3 339.355 2.581 20 5 EFBDHM COC(=O)c1cccc2nc(NC(=O)c3ccc([N+](=O)[O-])s3)[n-]c21 ZINC000162515752 473351808 /nfs/dbraw/zinc/35/18/08/473351808.db2.gz CELJEMRBUKWXCK-UHFFFAOYSA-N -1 3 346.324 2.572 20 5 EFBDHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc([N+](=O)[O-])s3)nc21 ZINC000162515752 473351816 /nfs/dbraw/zinc/35/18/16/473351816.db2.gz CELJEMRBUKWXCK-UHFFFAOYSA-N -1 3 346.324 2.572 20 5 EFBDHM CCc1[nH]nc(C(=O)[N-]c2nc3ccc(OC)cc3s2)c1[N+](=O)[O-] ZINC000171398271 473378508 /nfs/dbraw/zinc/37/85/08/473378508.db2.gz OYVOFPWVFYSALT-UHFFFAOYSA-N -1 3 347.356 2.751 20 5 EFBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[N-]OCCC(F)(F)F ZINC000162784943 473382951 /nfs/dbraw/zinc/38/29/51/473382951.db2.gz YJHOYKFFOJVGBU-UHFFFAOYSA-N -1 3 331.250 2.619 20 5 EFBDHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])n1 ZINC000067951282 472114775 /nfs/dbraw/zinc/11/47/75/472114775.db2.gz CMZDHVYKVIITQZ-SNVBAGLBSA-N -1 3 341.414 2.708 20 5 EFBDHM C[C@H](Cc1cccs1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000026880169 472152880 /nfs/dbraw/zinc/15/28/80/472152880.db2.gz JGLQJARHEBCDDL-SNVBAGLBSA-N -1 3 326.399 2.566 20 5 EFBDHM Cc1ccccc1C[C@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000055265932 472160298 /nfs/dbraw/zinc/16/02/98/472160298.db2.gz CWBFWPOCMNLVRC-ZDUSSCGKSA-N -1 3 334.397 2.813 20 5 EFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccnc1 ZINC000055975855 472267455 /nfs/dbraw/zinc/26/74/55/472267455.db2.gz PPLMZCYSXSXSGL-VIFPVBQESA-N -1 3 341.776 2.683 20 5 EFBDHM Cc1ccc([O-])c(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000044614685 472323344 /nfs/dbraw/zinc/32/33/44/472323344.db2.gz JNGDXOJTDXUUSU-UHFFFAOYSA-N -1 3 341.367 2.571 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H]1CCC[C@H](C)C1 ZINC000057011804 472373452 /nfs/dbraw/zinc/37/34/52/472373452.db2.gz KFCCNJBTQXEPSH-NWDGAFQWSA-N -1 3 342.417 2.708 20 5 EFBDHM O=C([N-]c1cc2c(cc1F)CCC(=O)N2)c1ccc([N+](=O)[O-])s1 ZINC000032048409 472410713 /nfs/dbraw/zinc/41/07/13/472410713.db2.gz RBZYCDONPXUDSM-UHFFFAOYSA-N -1 3 335.316 2.932 20 5 EFBDHM Cc1ccc(F)c(S(=O)(=O)[N-]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000154295392 472412654 /nfs/dbraw/zinc/41/26/54/472412654.db2.gz VDSLSCXIRSAEKZ-UHFFFAOYSA-N -1 3 338.360 2.563 20 5 EFBDHM O=[N+]([O-])c1cccnc1Sc1nnc([N-]CC(F)(F)F)s1 ZINC000057829472 472480761 /nfs/dbraw/zinc/48/07/61/472480761.db2.gz BEAMFPZXRHTSJP-UHFFFAOYSA-N -1 3 337.308 2.967 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-][C@H](C)Cc2cccs2)c([N+](=O)[O-])c1 ZINC000101571296 472541059 /nfs/dbraw/zinc/54/10/59/472541059.db2.gz BWTOIZLITDVYNK-LLVKDONJSA-N -1 3 340.426 2.874 20 5 EFBDHM COc1cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc(OC)c1 ZINC000071851645 472584299 /nfs/dbraw/zinc/58/42/99/472584299.db2.gz LWRVYLXFWCOHPS-UHFFFAOYSA-N -1 3 342.311 2.741 20 5 EFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1cccc(F)c1 ZINC000046814221 472604131 /nfs/dbraw/zinc/60/41/31/472604131.db2.gz PXMPFRCVRNZQAK-UHFFFAOYSA-N -1 3 344.751 2.866 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccsc2)cc1C ZINC000060499833 472662645 /nfs/dbraw/zinc/66/26/45/472662645.db2.gz QGZJASLLPWJAIF-UHFFFAOYSA-N -1 3 326.399 2.752 20 5 EFBDHM CCc1nn(C)cc1[N-]c1ncc([N+](=O)[O-])cc1Br ZINC000091026408 472678084 /nfs/dbraw/zinc/67/80/84/472678084.db2.gz PXALMXKLTQYPPS-UHFFFAOYSA-N -1 3 326.154 2.792 20 5 EFBDHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc([N+](=O)[O-])o1 ZINC000156552898 472722556 /nfs/dbraw/zinc/72/25/56/472722556.db2.gz DYOZOGZKKXAQNL-UHFFFAOYSA-N -1 3 341.117 2.586 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(F)cc2)c(Cl)c1 ZINC000047542875 472728101 /nfs/dbraw/zinc/72/81/01/472728101.db2.gz LVXXJZBDPOYTLW-UHFFFAOYSA-N -1 3 344.751 2.866 20 5 EFBDHM O=C(Nc1cnc(-c2ccccc2)s1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000091789760 472808290 /nfs/dbraw/zinc/80/82/90/472808290.db2.gz LLFYKSIIKGFRDB-UHFFFAOYSA-N -1 3 342.336 2.659 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000065795335 473011321 /nfs/dbraw/zinc/01/13/21/473011321.db2.gz VNZMXLYJAFLVAT-CHWSQXEVSA-N -1 3 336.344 2.568 20 5 EFBDHM COc1ccc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c([O-])c1 ZINC000135405307 473068184 /nfs/dbraw/zinc/06/81/84/473068184.db2.gz SUOOMNMUEIGBSI-UHFFFAOYSA-N -1 3 341.323 2.972 20 5 EFBDHM O=C(Nc1cccc(COCC2CC2)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000123163517 473105293 /nfs/dbraw/zinc/10/52/93/473105293.db2.gz RBGDRWWECDZHAT-UHFFFAOYSA-N -1 3 343.339 2.874 20 5 EFBDHM COC(=O)c1cc([N-]C(=O)c2noc3c2CCCC3)cc([N+](=O)[O-])c1 ZINC000136152703 473137868 /nfs/dbraw/zinc/13/78/68/473137868.db2.gz VRXJALCQRRMLCA-UHFFFAOYSA-N -1 3 345.311 2.501 20 5 EFBDHM CCc1ncc(C(=O)[N-]c2cc(C(=O)OC)cc([N+](=O)[O-])c2)s1 ZINC000136154159 473139761 /nfs/dbraw/zinc/13/97/61/473139761.db2.gz ZSCJSOMDAZBYFR-UHFFFAOYSA-N -1 3 335.341 2.653 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-]Cc2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000123758627 473181792 /nfs/dbraw/zinc/18/17/92/473181792.db2.gz DUGCFGZASRSAGN-UHFFFAOYSA-N -1 3 348.352 2.721 20 5 EFBDHM COC(=O)c1csc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC000137141024 473195822 /nfs/dbraw/zinc/19/58/22/473195822.db2.gz NSRGKVYRBNWBHD-UHFFFAOYSA-N -1 3 346.324 2.572 20 5 EFBDHM CCc1cc(=O)[n-]c(CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000177508383 473392486 /nfs/dbraw/zinc/39/24/86/473392486.db2.gz DFYHBMOWPAHFDX-UHFFFAOYSA-N -1 3 336.779 2.938 20 5 EFBDHM CC[C@@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000151488838 473463961 /nfs/dbraw/zinc/46/39/61/473463961.db2.gz PFLNXFVFHFXHGG-CYBMUJFWSA-N -1 3 341.414 2.655 20 5 EFBDHM CC[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000610136551 480242880 /nfs/dbraw/zinc/24/28/80/480242880.db2.gz QIZFCSVJVUEZDV-GHMZBOCLSA-N -1 3 330.381 2.981 20 5 EFBDHM Cc1cccnc1[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000185804072 473518921 /nfs/dbraw/zinc/51/89/21/473518921.db2.gz CZXOBLQUPGIBQV-HNNXBMFYSA-N -1 3 349.412 2.974 20 5 EFBDHM O=C(Nc1ccc(F)cc1NC1CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185839911 473528079 /nfs/dbraw/zinc/52/80/79/473528079.db2.gz YBIJGGUIOHZODR-UHFFFAOYSA-N -1 3 332.291 2.661 20 5 EFBDHM CC[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1c(C)noc1C ZINC000186005251 473568833 /nfs/dbraw/zinc/56/88/33/473568833.db2.gz QHQDZCMZUVRZBJ-CYBMUJFWSA-N -1 3 339.373 2.629 20 5 EFBDHM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1F)c1cccc([N+](=O)[O-])c1 ZINC000170665700 473579635 /nfs/dbraw/zinc/57/96/35/473579635.db2.gz TYTJGDQVPNHPDN-SECBINFHSA-N -1 3 342.323 2.913 20 5 EFBDHM COc1cc(CNc2cnc3ccccc3n2)c([N+](=O)[O-])cc1[O-] ZINC000192153109 473637608 /nfs/dbraw/zinc/63/76/08/473637608.db2.gz VSXNCMDWVMVXPH-UHFFFAOYSA-N -1 3 326.312 2.864 20 5 EFBDHM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc2n[n-]nc2c1 ZINC000172573370 473645973 /nfs/dbraw/zinc/64/59/73/473645973.db2.gz LPJNIKFSCIZDPS-UHFFFAOYSA-N -1 3 339.355 2.619 20 5 EFBDHM O=C([O-])C1CCC(NCc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000262720862 473715716 /nfs/dbraw/zinc/71/57/16/473715716.db2.gz VKBNYIWAWNSWNL-UHFFFAOYSA-N -1 3 344.314 2.929 20 5 EFBDHM CCCCCc1nnc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)s1 ZINC000186865145 473771351 /nfs/dbraw/zinc/77/13/51/473771351.db2.gz FJCVTFKPXKNRID-UHFFFAOYSA-N -1 3 337.361 2.532 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCCC2)c(Br)c1 ZINC000269492308 473822803 /nfs/dbraw/zinc/82/28/03/473822803.db2.gz SYZSWVPWSTXXIS-UHFFFAOYSA-N -1 3 349.206 2.578 20 5 EFBDHM CCC(CC)(CC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000173389555 473823012 /nfs/dbraw/zinc/82/30/12/473823012.db2.gz UOGSUDJMGVGOBP-UHFFFAOYSA-N -1 3 330.406 2.851 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-]C2(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000263756803 473835569 /nfs/dbraw/zinc/83/55/69/473835569.db2.gz AEMFTDRAFNFLCX-UHFFFAOYSA-N -1 3 348.380 2.571 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1(c2ccccc2)CC1 ZINC000263769384 473840921 /nfs/dbraw/zinc/84/09/21/473840921.db2.gz CFJJGAOGVKUYFS-UHFFFAOYSA-N -1 3 348.380 2.571 20 5 EFBDHM Cc1cc([N-]C(=O)COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])on1 ZINC000194613851 473925723 /nfs/dbraw/zinc/92/57/23/473925723.db2.gz CNHQQELFELZSNE-UHFFFAOYSA-N -1 3 345.233 2.928 20 5 EFBDHM Cc1ccc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)c([N+](=O)[O-])c1 ZINC000269963160 473935661 /nfs/dbraw/zinc/93/56/61/473935661.db2.gz VPXQMFFQXPJGOE-UHFFFAOYSA-N -1 3 341.367 2.571 20 5 EFBDHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000173983062 473968691 /nfs/dbraw/zinc/96/86/91/473968691.db2.gz FDFNQNWACLUZIB-UHFFFAOYSA-N -1 3 349.368 2.527 20 5 EFBDHM C[C@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000288632586 474007095 /nfs/dbraw/zinc/00/70/95/474007095.db2.gz OCLHNPNDLXNKCO-BZNIZROVSA-N -1 3 348.380 2.536 20 5 EFBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C1CC1)C(F)(F)F ZINC000288657797 474014523 /nfs/dbraw/zinc/01/45/23/474014523.db2.gz RFVCYOGEMOCGQX-LLVKDONJSA-N -1 3 338.307 2.522 20 5 EFBDHM COc1ccc(Cn2ccc([N-]c3c([N+](=O)[O-])c(C)nn3C)n2)cc1 ZINC000275053878 474054573 /nfs/dbraw/zinc/05/45/73/474054573.db2.gz UKFVLPPPHYZWPA-UHFFFAOYSA-N -1 3 342.359 2.634 20 5 EFBDHM O=C(Nc1ccccc1[O-])C1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000195506707 474085126 /nfs/dbraw/zinc/08/51/26/474085126.db2.gz ZNSPPAOZXRXZPU-UHFFFAOYSA-N -1 3 348.384 2.612 20 5 EFBDHM Cc1ccc(CN(C)C)cc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182080663 474094957 /nfs/dbraw/zinc/09/49/57/474094957.db2.gz WYNIYXIHYRCCPA-UHFFFAOYSA-N -1 3 329.356 2.923 20 5 EFBDHM O=C(/C=C/c1cncc([O-])c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000182172189 474114767 /nfs/dbraw/zinc/11/47/67/474114767.db2.gz MRIQPUVXBUWSPP-FPYGCLRLSA-N -1 3 339.351 2.900 20 5 EFBDHM CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000175273125 474177283 /nfs/dbraw/zinc/17/72/83/474177283.db2.gz VZYHNOZLJNWZMM-YPMHNXCESA-N -1 3 344.458 2.856 20 5 EFBDHM CCS[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000175273111 474177816 /nfs/dbraw/zinc/17/78/16/474177816.db2.gz VZYHNOZLJNWZMM-DGCLKSJQSA-N -1 3 344.458 2.856 20 5 EFBDHM CCOc1nc2cc(C(=O)NCc3ccccc3[N+](=O)[O-])ccc2[n-]1 ZINC000225704545 474237470 /nfs/dbraw/zinc/23/74/70/474237470.db2.gz SVXZZJONGZORFD-UHFFFAOYSA-N -1 3 340.339 2.800 20 5 EFBDHM CCOc1nc2ccc(C(=O)NCc3ccccc3[N+](=O)[O-])cc2[n-]1 ZINC000225704545 474237475 /nfs/dbraw/zinc/23/74/75/474237475.db2.gz SVXZZJONGZORFD-UHFFFAOYSA-N -1 3 340.339 2.800 20 5 EFBDHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)s1 ZINC000175628895 474267194 /nfs/dbraw/zinc/26/71/94/474267194.db2.gz GQIDXZOVXPDTCD-SNVBAGLBSA-N -1 3 341.414 2.708 20 5 EFBDHM CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609042557 480109918 /nfs/dbraw/zinc/10/99/18/480109918.db2.gz ZWIAVNFUQOSDGH-CQSZACIVSA-N -1 3 334.397 2.894 20 5 EFBDHM Nc1ccc2c(c1)CCC[C@H]2[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000184711863 474591699 /nfs/dbraw/zinc/59/16/99/474591699.db2.gz HMSRBWPBEBPMQR-CQSZACIVSA-N -1 3 347.396 2.533 20 5 EFBDHM Cc1cc(F)c([N-]C(=O)c2cnc(OCC3CC3)cn2)cc1[N+](=O)[O-] ZINC000284554464 474664668 /nfs/dbraw/zinc/66/46/68/474664668.db2.gz DQQBPWJQSMBRKS-UHFFFAOYSA-N -1 3 346.318 2.873 20 5 EFBDHM COc1ccccc1-c1cc(=NC(=O)c2ccccc2[N+](=O)[O-])[nH][n-]1 ZINC000609201563 480126108 /nfs/dbraw/zinc/12/61/08/480126108.db2.gz NNYGEYUWLDYDRT-UHFFFAOYSA-N -1 3 338.323 2.668 20 5 EFBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000340941120 474801236 /nfs/dbraw/zinc/80/12/36/474801236.db2.gz VVTKRJBBTHRJDC-UHFFFAOYSA-N -1 3 344.751 2.866 20 5 EFBDHM CCOC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CCCC1 ZINC000339029460 474854072 /nfs/dbraw/zinc/85/40/72/474854072.db2.gz MVXFVZXUKGJEHK-UHFFFAOYSA-N -1 3 348.446 2.592 20 5 EFBDHM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)C(C)(C)C ZINC000609233832 480129727 /nfs/dbraw/zinc/12/97/27/480129727.db2.gz AFWLMQCFPGASKH-ZDUSSCGKSA-N -1 3 330.406 2.706 20 5 EFBDHM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1scnc1COC ZINC000285074729 474883315 /nfs/dbraw/zinc/88/33/15/474883315.db2.gz VJTUFHUUKMAAKU-UHFFFAOYSA-N -1 3 337.357 2.849 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000268467354 474997437 /nfs/dbraw/zinc/99/74/37/474997437.db2.gz IQAIATZLOFHYTB-UHFFFAOYSA-N -1 3 341.367 2.571 20 5 EFBDHM CN1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000339168817 474999030 /nfs/dbraw/zinc/99/90/30/474999030.db2.gz DNMBMTJABIYQLV-QGZVFWFLSA-N -1 3 341.411 2.659 20 5 EFBDHM Cc1ccc([C@H](C)NC(=O)c2cc(F)cc3nn[n-]c32)cc1[N+](=O)[O-] ZINC000337425902 475006203 /nfs/dbraw/zinc/00/62/03/475006203.db2.gz YTDBIWYRHSRGOV-VIFPVBQESA-N -1 3 343.318 2.805 20 5 EFBDHM Cc1ccc([C@H](C)NC(=O)c2cc(F)cc3[n-]nnc32)cc1[N+](=O)[O-] ZINC000337425902 475006208 /nfs/dbraw/zinc/00/62/08/475006208.db2.gz YTDBIWYRHSRGOV-VIFPVBQESA-N -1 3 343.318 2.805 20 5 EFBDHM Cc1ccc([C@H](C)NC(=O)c2cc(F)cc3n[n-]nc32)cc1[N+](=O)[O-] ZINC000337425902 475006215 /nfs/dbraw/zinc/00/62/15/475006215.db2.gz YTDBIWYRHSRGOV-VIFPVBQESA-N -1 3 343.318 2.805 20 5 EFBDHM Cc1cccc(-n2cc(C(=O)[N-]c3ccc([N+](=O)[O-])cc3F)nn2)c1 ZINC000339186199 475017696 /nfs/dbraw/zinc/01/76/96/475017696.db2.gz QABPFUQWHBAOPU-UHFFFAOYSA-N -1 3 341.302 2.875 20 5 EFBDHM O=C(c1cc(C(F)(F)F)n[n-]1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000339249395 475081588 /nfs/dbraw/zinc/08/15/88/475081588.db2.gz UAEINGBTUGMUEC-UHFFFAOYSA-N -1 3 326.234 2.540 20 5 EFBDHM O=C(c1cc(C(F)(F)F)[n-]n1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000339249395 475081595 /nfs/dbraw/zinc/08/15/95/475081595.db2.gz UAEINGBTUGMUEC-UHFFFAOYSA-N -1 3 326.234 2.540 20 5 EFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H]2CCCSC2)c1[N+](=O)[O-] ZINC000287489927 475169300 /nfs/dbraw/zinc/16/93/00/475169300.db2.gz QZMLQFJZBJFNBX-LBPRGKRZSA-N -1 3 344.458 2.633 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]CCSCC(C)C)c([N+](=O)[O-])c1 ZINC000339446250 475221591 /nfs/dbraw/zinc/22/15/91/475221591.db2.gz CGPAJAULLHTDSA-UHFFFAOYSA-N -1 3 332.447 2.571 20 5 EFBDHM O=C([N-]c1nc(Sc2ccccc2)ns1)c1cc([N+](=O)[O-])n[nH]1 ZINC000352388146 475244383 /nfs/dbraw/zinc/24/43/83/475244383.db2.gz KQJLEPLLGNZRMI-UHFFFAOYSA-N -1 3 348.369 2.573 20 5 EFBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1(C(F)(F)F)CCC1 ZINC000354648485 475314962 /nfs/dbraw/zinc/31/49/62/475314962.db2.gz JHKJVDCUNLXVEC-UHFFFAOYSA-N -1 3 338.307 2.667 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-][C@H]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000352487024 475340329 /nfs/dbraw/zinc/34/03/29/475340329.db2.gz YUUJXXBNONXZJB-GDNZZTSVSA-N -1 3 342.417 2.706 20 5 EFBDHM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000354702793 475346871 /nfs/dbraw/zinc/34/68/71/475346871.db2.gz GLJQPWLDDIDCOM-QMMMGPOBSA-N -1 3 326.296 2.604 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc(F)c(C)c2)c([N+](=O)[O-])c1 ZINC000337842911 475369701 /nfs/dbraw/zinc/36/97/01/475369701.db2.gz NAZBNZZGTMNHSO-UHFFFAOYSA-N -1 3 338.360 2.829 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-][C@H](C)CCc2ccco2)c([N+](=O)[O-])c1 ZINC000337846054 475371697 /nfs/dbraw/zinc/37/16/97/475371697.db2.gz OXDSKQDZOVXYEM-GFCCVEGCSA-N -1 3 338.385 2.796 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000354762063 475390743 /nfs/dbraw/zinc/39/07/43/475390743.db2.gz AIUDOCPDQNFXOB-RYUDHWBXSA-N -1 3 342.417 2.708 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-]C[C@H]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000354762060 475391149 /nfs/dbraw/zinc/39/11/49/475391149.db2.gz AIUDOCPDQNFXOB-NWDGAFQWSA-N -1 3 342.417 2.708 20 5 EFBDHM COc1cc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])cc(OC)c1[O-] ZINC000358144914 475438426 /nfs/dbraw/zinc/43/84/26/475438426.db2.gz SGFCPOPIUPEPDX-UHFFFAOYSA-N -1 3 344.323 2.521 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC23CCC(CC2)C3)c(F)c1 ZINC000339782803 475498023 /nfs/dbraw/zinc/49/80/23/475498023.db2.gz IRHPOPCPMOZMRN-UHFFFAOYSA-N -1 3 328.365 2.593 20 5 EFBDHM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)[N-]c1nncs1 ZINC000339814094 475526961 /nfs/dbraw/zinc/52/69/61/475526961.db2.gz IOYOAJXJVAPQFB-UHFFFAOYSA-N -1 3 343.162 2.770 20 5 EFBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]CCC(C)(F)F)cc1[N+](=O)[O-] ZINC000297045444 475587147 /nfs/dbraw/zinc/58/71/47/475587147.db2.gz LTGGTYHOZNIGOV-UHFFFAOYSA-N -1 3 342.751 2.880 20 5 EFBDHM C[C@@H]1CC=CC[C@@H]1C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000352798561 475634550 /nfs/dbraw/zinc/63/45/50/475634550.db2.gz UUJSXONHXOXUQA-RISCZKNCSA-N -1 3 326.356 2.948 20 5 EFBDHM CC1CC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000332445546 475641177 /nfs/dbraw/zinc/64/11/77/475641177.db2.gz LCJBRXXNKLRMMT-UHFFFAOYSA-N -1 3 338.307 2.690 20 5 EFBDHM COc1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc(OC)c1[O-] ZINC000338184590 475658386 /nfs/dbraw/zinc/65/83/86/475658386.db2.gz MAZSBYKWBPEXLC-UHFFFAOYSA-N -1 3 332.312 2.878 20 5 EFBDHM CCOC(=O)c1cc(C(=O)Nc2cccc([O-])c2)cc([N+](=O)[O-])c1 ZINC000339992384 475668527 /nfs/dbraw/zinc/66/85/27/475668527.db2.gz JPGMBMRVPVHFPS-UHFFFAOYSA-N -1 3 330.296 2.729 20 5 EFBDHM Cc1nc2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3C)cc2[nH]1 ZINC000340146168 475796474 /nfs/dbraw/zinc/79/64/74/475796474.db2.gz MUTXAUZKSGOYTH-UHFFFAOYSA-N -1 3 346.368 2.889 20 5 EFBDHM CCC(=O)Nc1ccc(C)c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000361909821 475858890 /nfs/dbraw/zinc/85/88/90/475858890.db2.gz CJBZBLBJIROPJC-UHFFFAOYSA-N -1 3 344.327 2.605 20 5 EFBDHM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nc(C(C)=O)cs2)c1 ZINC000338407077 475874854 /nfs/dbraw/zinc/87/48/54/475874854.db2.gz MGHCQLJKAVNFCW-UHFFFAOYSA-N -1 3 335.341 2.905 20 5 EFBDHM Cc1cc2[nH]ncc2cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000358783736 475933971 /nfs/dbraw/zinc/93/39/71/475933971.db2.gz FRQFVGITVWIKIR-UHFFFAOYSA-N -1 3 346.368 2.889 20 5 EFBDHM CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(OC)ccc2[O-])c1 ZINC000338550290 476001373 /nfs/dbraw/zinc/00/13/73/476001373.db2.gz BUPSUIUDGSQMDX-UHFFFAOYSA-N -1 3 332.312 2.960 20 5 EFBDHM CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(OC)c2[O-])c1 ZINC000338577436 476022403 /nfs/dbraw/zinc/02/24/03/476022403.db2.gz RFYPGMNSORMLNI-UHFFFAOYSA-N -1 3 332.312 2.960 20 5 EFBDHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000340578861 476118027 /nfs/dbraw/zinc/11/80/27/476118027.db2.gz QYQZCZLOPCPZDI-UHFFFAOYSA-N -1 3 349.310 2.509 20 5 EFBDHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000340578861 476118029 /nfs/dbraw/zinc/11/80/29/476118029.db2.gz QYQZCZLOPCPZDI-UHFFFAOYSA-N -1 3 349.310 2.509 20 5 EFBDHM CCOC(=O)c1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)c([O-])c1 ZINC000340593762 476134280 /nfs/dbraw/zinc/13/42/80/476134280.db2.gz KZLORNXSBWNLGN-UHFFFAOYSA-N -1 3 344.323 2.658 20 5 EFBDHM CC(C)OCc1cc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)ccc1O ZINC000356856987 476138278 /nfs/dbraw/zinc/13/82/78/476138278.db2.gz FFAHYBKACVULIE-UHFFFAOYSA-N -1 3 347.327 2.578 20 5 EFBDHM Cc1cccc(C(=O)[N-]c2nc3cc(Cl)ccn3n2)c1[N+](=O)[O-] ZINC000362302186 476153683 /nfs/dbraw/zinc/15/36/83/476153683.db2.gz XECLGYQAIGEXEJ-UHFFFAOYSA-N -1 3 331.719 2.852 20 5 EFBDHM COc1ccc(-c2ccc(CNCCCC(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000362348812 476188246 /nfs/dbraw/zinc/18/82/46/476188246.db2.gz NLNIVBRWGZLZJY-UHFFFAOYSA-N -1 3 334.328 2.818 20 5 EFBDHM C[C@@H]1CCc2nc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)sc2C1 ZINC000362584328 476317671 /nfs/dbraw/zinc/31/76/71/476317671.db2.gz TXEJKLBIQIMIIW-SSDOTTSWSA-N -1 3 334.357 2.529 20 5 EFBDHM O=[N+]([O-])c1ccc(Cc2noc(Cc3ccc([O-])cc3Cl)n2)nc1 ZINC000362714917 476363053 /nfs/dbraw/zinc/36/30/53/476363053.db2.gz JGNMQHQANCKFAH-UHFFFAOYSA-N -1 3 346.730 2.913 20 5 EFBDHM CCOc1cc(-c2noc(-c3n[nH]c(CC)c3[N+](=O)[O-])n2)ccc1[O-] ZINC000351218084 476365742 /nfs/dbraw/zinc/36/57/42/476365742.db2.gz KBQTVYMQSYTZEA-UHFFFAOYSA-N -1 3 345.315 2.702 20 5 EFBDHM COC(=O)c1cc([N-]C(=O)c2ccc(C(C)=O)o2)c(C)c([N+](=O)[O-])c1 ZINC000362720780 476367197 /nfs/dbraw/zinc/36/71/97/476367197.db2.gz AGGLIHVWGYCFOW-UHFFFAOYSA-N -1 3 346.295 2.738 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCC(F)(F)C2)c([N+](=O)[O-])c1 ZINC000362917029 476480167 /nfs/dbraw/zinc/48/01/67/476480167.db2.gz JAYSYHFQXXRLSZ-SNVBAGLBSA-N -1 3 334.344 2.759 20 5 EFBDHM COCc1nc(Sc2ccc(Br)cc2[N+](=O)[O-])n[n-]1 ZINC000354469500 476678638 /nfs/dbraw/zinc/67/86/38/476678638.db2.gz SMLTWKGWCRMFGD-UHFFFAOYSA-N -1 3 345.178 2.773 20 5 EFBDHM O=C(Nc1cc(Cc2ccccc2)ccc1[O-])c1cc([N+](=O)[O-])n[nH]1 ZINC000354524585 476707785 /nfs/dbraw/zinc/70/77/85/476707785.db2.gz XNBLOVMCYFEHQT-UHFFFAOYSA-N -1 3 338.323 2.867 20 5 EFBDHM C[C@H](CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000390535819 476795134 /nfs/dbraw/zinc/79/51/34/476795134.db2.gz KCBBRPBKJNBZLB-GFCCVEGCSA-N -1 3 344.371 2.620 20 5 EFBDHM Cc1ncc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])cn1 ZINC000446079328 476824076 /nfs/dbraw/zinc/82/40/76/476824076.db2.gz JDIACJCMOKLBEC-UHFFFAOYSA-N -1 3 343.162 2.770 20 5 EFBDHM CCCOc1cc([O-])ccc1NC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000430480225 476839807 /nfs/dbraw/zinc/83/98/07/476839807.db2.gz DSDRGOQEBSRMDG-UHFFFAOYSA-N -1 3 334.332 2.558 20 5 EFBDHM CC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000447023661 476943383 /nfs/dbraw/zinc/94/33/83/476943383.db2.gz OUDLDNGMSFKLJZ-UHFFFAOYSA-N -1 3 338.307 2.692 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-]CC(C)(C)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000431605629 477059845 /nfs/dbraw/zinc/05/98/45/477059845.db2.gz BZOXLRQPNWUNPC-UHFFFAOYSA-N -1 3 344.433 2.954 20 5 EFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CCC1CC1 ZINC000416412852 477165517 /nfs/dbraw/zinc/16/55/17/477165517.db2.gz ODDZNDIJRVPJPI-UHFFFAOYSA-N -1 3 338.307 2.692 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC2CC(F)(F)C2)cc1C ZINC000416500772 477189598 /nfs/dbraw/zinc/18/95/98/477189598.db2.gz IGKDXJXKUIYXPA-UHFFFAOYSA-N -1 3 348.371 2.925 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2F)c1C ZINC000416596840 477233134 /nfs/dbraw/zinc/23/31/34/477233134.db2.gz RUUINFHZGGUGFH-VXGBXAGGSA-N -1 3 330.381 2.771 20 5 EFBDHM Cc1ncc(CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c(=O)[n-]1 ZINC000433238798 477318387 /nfs/dbraw/zinc/31/83/87/477318387.db2.gz CFWYYJXZTIBXEN-HNNXBMFYSA-N -1 3 328.372 2.911 20 5 EFBDHM CC(C)c1[nH]nc(C(=O)[N-]c2ccnc3ccncc23)c1[N+](=O)[O-] ZINC000434018063 477331495 /nfs/dbraw/zinc/33/14/95/477331495.db2.gz WUDOLJCFZCFHKO-UHFFFAOYSA-N -1 3 326.316 2.637 20 5 EFBDHM Cc1nn(Cc2cc(=O)[n-]c(C3CC3)n2)c2ccc([N+](=O)[O-])cc12 ZINC000413003551 477469367 /nfs/dbraw/zinc/46/93/67/477469367.db2.gz UWFNHEWTQGCCIU-UHFFFAOYSA-N -1 3 325.328 2.674 20 5 EFBDHM CN(Cc1nc(-c2ccc([O-])cc2)no1)c1ccccc1[N+](=O)[O-] ZINC000436535235 477507612 /nfs/dbraw/zinc/50/76/12/477507612.db2.gz RCZWCINUCOYYHV-UHFFFAOYSA-N -1 3 326.312 2.987 20 5 EFBDHM Cc1ccc(C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c([O-])c1 ZINC000436614161 477532577 /nfs/dbraw/zinc/53/25/77/477532577.db2.gz ZKBVPOOOVZGFGW-UHFFFAOYSA-N -1 3 328.324 2.644 20 5 EFBDHM O=C(c1ccc(O)cc1[O-])N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000436616275 477533787 /nfs/dbraw/zinc/53/37/87/477533787.db2.gz DKHNOSUXGDRWFP-MRXNPFEDSA-N -1 3 346.364 2.894 20 5 EFBDHM C[C@H]1CCCN(C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000436675112 477554085 /nfs/dbraw/zinc/55/40/85/477554085.db2.gz YEEIRQVSMXQOFU-LBPRGKRZSA-N -1 3 335.404 2.541 20 5 EFBDHM CC[C@H](C)N[C@@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccco1 ZINC000436713767 477567720 /nfs/dbraw/zinc/56/77/20/477567720.db2.gz KDOSFFVRPZJZOG-AAEUAGOBSA-N -1 3 347.371 2.753 20 5 EFBDHM CC[C@@H](C)N[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccco1 ZINC000436716627 477569034 /nfs/dbraw/zinc/56/90/34/477569034.db2.gz UKBVSZOTLRUFQY-BXUZGUMPSA-N -1 3 347.371 2.753 20 5 EFBDHM CCN(CCN1CCCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436797469 477593166 /nfs/dbraw/zinc/59/31/66/477593166.db2.gz NUDFWCYFQHRESI-UHFFFAOYSA-N -1 3 335.404 2.639 20 5 EFBDHM COc1ccc(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])c([O-])c1 ZINC000436827770 477603743 /nfs/dbraw/zinc/60/37/43/477603743.db2.gz OMGTUHUBEQKTOI-UHFFFAOYSA-N -1 3 330.340 2.624 20 5 EFBDHM CCSCC[C@H](C)[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000437723432 477745430 /nfs/dbraw/zinc/74/54/30/477745430.db2.gz HNZLWUTUYNXYDA-NSHDSACASA-N -1 3 332.447 2.713 20 5 EFBDHM CC(C)c1ccc(CN[C@@H](CN2CCCCC2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000426762059 477748503 /nfs/dbraw/zinc/74/85/03/477748503.db2.gz GYMFXOMGBLECDJ-INIZCTEOSA-N -1 3 349.431 2.747 20 5 EFBDHM CC(C)n1cc2cc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)ccc2n1 ZINC000439399343 477969797 /nfs/dbraw/zinc/96/97/97/477969797.db2.gz XLPMKXYYNKBKID-UHFFFAOYSA-N -1 3 341.327 2.878 20 5 EFBDHM CCc1cccc(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1[O-] ZINC000516946632 478018448 /nfs/dbraw/zinc/01/84/48/478018448.db2.gz LXTNWHSZGDEGHQ-UHFFFAOYSA-N -1 3 344.371 2.537 20 5 EFBDHM COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000560552185 478109356 /nfs/dbraw/zinc/10/93/56/478109356.db2.gz KOLOTJXBZVSKJE-UHFFFAOYSA-N -1 3 330.296 2.764 20 5 EFBDHM C[C@@H](C(=O)Nc1nnc(-c2ccccn2)[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000518880410 478196334 /nfs/dbraw/zinc/19/63/34/478196334.db2.gz GCBGUDKOYKWORO-SNVBAGLBSA-N -1 3 338.327 2.517 20 5 EFBDHM C[C@@H](C(=O)Nc1nc(-c2ccccn2)n[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000518880410 478196339 /nfs/dbraw/zinc/19/63/39/478196339.db2.gz GCBGUDKOYKWORO-SNVBAGLBSA-N -1 3 338.327 2.517 20 5 EFBDHM C[C@@H](C(=O)Nc1n[n-]c(-c2ccccn2)n1)c1cccc([N+](=O)[O-])c1 ZINC000518880410 478196341 /nfs/dbraw/zinc/19/63/41/478196341.db2.gz GCBGUDKOYKWORO-SNVBAGLBSA-N -1 3 338.327 2.517 20 5 EFBDHM CC/C=C/C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000451773039 478198460 /nfs/dbraw/zinc/19/84/60/478198460.db2.gz LDKHAMXJDXMKRV-ONEGZZNKSA-N -1 3 349.206 2.602 20 5 EFBDHM CC[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC)C1CCCC1 ZINC000590764395 478328167 /nfs/dbraw/zinc/32/81/67/478328167.db2.gz YCDLNYPUZUNQOQ-GFCCVEGCSA-N -1 3 342.417 2.851 20 5 EFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H]2CC[C@H](C)CC2)cc1[N+](=O)[O-] ZINC000490435486 478339970 /nfs/dbraw/zinc/33/99/70/478339970.db2.gz CXXUXPRMLYVPMY-MGCOHNPYSA-N -1 3 346.380 2.600 20 5 EFBDHM Cc1nn(C)c(C(=O)Nc2ccc([O-])c3ccccc23)c1[N+](=O)[O-] ZINC000539721421 478428847 /nfs/dbraw/zinc/42/88/47/478428847.db2.gz KUPBCRSODJIRCR-UHFFFAOYSA-N -1 3 326.312 2.748 20 5 EFBDHM COc1ccc(CN2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000600676844 478465485 /nfs/dbraw/zinc/46/54/85/478465485.db2.gz YWXIOISIOWDTTP-IHRRRGAJSA-N -1 3 334.372 2.679 20 5 EFBDHM CC(C)([N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])C1CC1 ZINC000594756605 478532782 /nfs/dbraw/zinc/53/27/82/478532782.db2.gz CHNSWRFVGJHJEL-UHFFFAOYSA-N -1 3 335.385 2.610 20 5 EFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])C1CCC1 ZINC000594766775 478535525 /nfs/dbraw/zinc/53/55/25/478535525.db2.gz WYIDCJFTIKKQIN-SNVBAGLBSA-N -1 3 335.385 2.610 20 5 EFBDHM CC1(CC[N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000594772606 478536576 /nfs/dbraw/zinc/53/65/76/478536576.db2.gz LMOIHXJDLIGCPM-UHFFFAOYSA-N -1 3 335.385 2.612 20 5 EFBDHM CC(C)C[C@H](C)[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594775966 478538177 /nfs/dbraw/zinc/53/81/77/478538177.db2.gz OKNIGZKAOJKGDI-NSHDSACASA-N -1 3 337.401 2.856 20 5 EFBDHM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cc(F)c[n-]c1=O ZINC000600839731 478539039 /nfs/dbraw/zinc/53/90/39/478539039.db2.gz MOBFSEROZSWANJ-UHFFFAOYSA-N -1 3 333.319 2.885 20 5 EFBDHM COCc1csc(CNCc2cc(OC)c([O-])cc2[N+](=O)[O-])c1 ZINC000594983557 478617706 /nfs/dbraw/zinc/61/77/06/478617706.db2.gz FIRMFFPHCLBXMO-UHFFFAOYSA-N -1 3 338.385 2.807 20 5 EFBDHM COc1cccc(CNCc2cc(OC)c([O-])cc2[N+](=O)[O-])c1C ZINC000594999192 478624429 /nfs/dbraw/zinc/62/44/29/478624429.db2.gz PQIBSZOTKNYWHL-UHFFFAOYSA-N -1 3 332.356 2.916 20 5 EFBDHM COc1ccc(CN2C[C@@H]3CCCC[C@]3(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000595279472 478711386 /nfs/dbraw/zinc/71/13/86/478711386.db2.gz PXIVCBDGPGUBNL-GUYCJALGSA-N -1 3 334.372 2.680 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCc2ccco2)c1C ZINC000595376050 478753944 /nfs/dbraw/zinc/75/39/44/478753944.db2.gz IEPNUOLYCSIWRR-UHFFFAOYSA-N -1 3 338.385 2.716 20 5 EFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H](F)C2)c1[N+](=O)[O-] ZINC000592062520 478760427 /nfs/dbraw/zinc/76/04/27/478760427.db2.gz KHSGCGVKGIHQOY-VXGBXAGGSA-N -1 3 330.381 2.771 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H](F)C2)c(Cl)c1 ZINC000592062471 478761203 /nfs/dbraw/zinc/76/12/03/478761203.db2.gz FPOPIOGQIKOECG-IUCAKERBSA-N -1 3 336.772 2.807 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C2Cc3ccccc3C2)c1C ZINC000545120245 478886969 /nfs/dbraw/zinc/88/69/69/478886969.db2.gz UGYPHYIUCWCPSH-UHFFFAOYSA-N -1 3 346.408 2.657 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]C2(C)Cc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000507903456 478931926 /nfs/dbraw/zinc/93/19/26/478931926.db2.gz GGAHIZUFOPYUKZ-UHFFFAOYSA-N -1 3 346.408 2.739 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1CN(C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000583758545 478934949 /nfs/dbraw/zinc/93/49/49/478934949.db2.gz NSUJCFJHKTZNQJ-INIZCTEOSA-N -1 3 344.367 2.731 20 5 EFBDHM Cc1cccc([O-])c1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000598961257 479102298 /nfs/dbraw/zinc/10/22/98/479102298.db2.gz JVDOWTBUEWPZSD-UHFFFAOYSA-N -1 3 341.367 2.571 20 5 EFBDHM CC[C@@H]1CCCCN1CCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000592972485 479112035 /nfs/dbraw/zinc/11/20/35/479112035.db2.gz KFSJSRZQNKCUJA-CQSZACIVSA-N -1 3 335.404 2.898 20 5 EFBDHM O=C1CCCCN1c1cccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC000596079327 479126764 /nfs/dbraw/zinc/12/67/64/479126764.db2.gz OLHPJDJPFRMAIP-UHFFFAOYSA-N -1 3 328.328 2.956 20 5 EFBDHM CCC(CC)C(=O)N1CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596088438 479130588 /nfs/dbraw/zinc/13/05/88/479130588.db2.gz NRGWZBHSPMMZPP-UHFFFAOYSA-N -1 3 336.392 2.535 20 5 EFBDHM Cc1cc(N2CCN(C(=O)c3cccc([O-])c3)CC2)c([N+](=O)[O-])s1 ZINC000596108344 479142359 /nfs/dbraw/zinc/14/23/59/479142359.db2.gz ASRDCRVXRHZWQL-UHFFFAOYSA-N -1 3 347.396 2.633 20 5 EFBDHM O=c1[n-]ccc(N2CC[C@@H](OCCCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596159113 479170816 /nfs/dbraw/zinc/17/08/16/479170816.db2.gz LFKTVICPUFCDRA-OAHLLOKOSA-N -1 3 343.383 2.924 20 5 EFBDHM Cc1nn(C)c([N-]c2ccn([C@@H](C)c3ccccc3)n2)c1[N+](=O)[O-] ZINC000610735292 479171123 /nfs/dbraw/zinc/17/11/23/479171123.db2.gz VDELQTJGIDXEQD-LBPRGKRZSA-N -1 3 326.360 2.608 20 5 EFBDHM O=c1[n-]ccc(N2CCO[C@H](CCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596200040 479194847 /nfs/dbraw/zinc/19/48/47/479194847.db2.gz XQXJSCIOEWXBMD-CQSZACIVSA-N -1 3 329.356 2.533 20 5 EFBDHM CCOC(=O)[C@](C)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC000596204714 479197623 /nfs/dbraw/zinc/19/76/23/479197623.db2.gz DFVVAPZACLXUCL-QGZVFWFLSA-N -1 3 345.355 2.628 20 5 EFBDHM COC(=O)[C@H](Cc1ccc(C)cc1)Sc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596222701 479207696 /nfs/dbraw/zinc/20/76/96/479207696.db2.gz IBMMPDUBOKDQHI-ZDUSSCGKSA-N -1 3 348.380 2.880 20 5 EFBDHM COc1ccc2c(c1)OC(C)(C)CN(c1cc[n-]c(=O)c1[N+](=O)[O-])C2 ZINC000596277190 479235511 /nfs/dbraw/zinc/23/55/11/479235511.db2.gz BNQXTVBBSXQSEF-UHFFFAOYSA-N -1 3 345.355 2.882 20 5 EFBDHM Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000603626497 479415093 /nfs/dbraw/zinc/41/50/93/479415093.db2.gz HZJGQOVMKLVJNS-UHFFFAOYSA-N -1 3 340.133 2.654 20 5 EFBDHM O=C([O-])Cc1ccc(NC[C@H]2CCCCN2C2CC2)c([N+](=O)[O-])c1 ZINC000575185025 479417062 /nfs/dbraw/zinc/41/70/62/479417062.db2.gz KNEGLXGECDNZIO-CQSZACIVSA-N -1 3 333.388 2.651 20 5 EFBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CC[C@@H](c3cccnc3)C2)c1 ZINC000593732164 479437924 /nfs/dbraw/zinc/43/79/24/479437924.db2.gz JDSOYXCJCBNZLE-CQSZACIVSA-N -1 3 327.340 2.678 20 5 EFBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[C@H]2[C@@H]2CCCOC2)c1 ZINC000593742418 479443877 /nfs/dbraw/zinc/44/38/77/479443877.db2.gz LOPAJGDTFJSCFF-HIFRSBDPSA-N -1 3 334.372 2.684 20 5 EFBDHM CC(C)CN1CCCC[C@@H]1CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000575992133 479518010 /nfs/dbraw/zinc/51/80/10/479518010.db2.gz RENPBJZTUSDOMC-CYBMUJFWSA-N -1 3 336.392 2.610 20 5 EFBDHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000590558767 479658996 /nfs/dbraw/zinc/65/89/96/479658996.db2.gz UHUWUXBUNTUFQG-UHFFFAOYSA-N -1 3 337.295 2.910 20 5 EFBDHM CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619476250 479805445 /nfs/dbraw/zinc/80/54/45/479805445.db2.gz VUSFKSLHXUJDNH-NEPJUHHUSA-N -1 3 342.417 2.851 20 5 EFBDHM O=C([N-]c1nncn1Cc1ccccc1)c1csc([N+](=O)[O-])c1 ZINC000609795406 480205597 /nfs/dbraw/zinc/20/55/97/480205597.db2.gz SXUFPJSSYDBBGA-UHFFFAOYSA-N -1 3 329.341 2.548 20 5 EFBDHM Cc1cccc([C@@H](C)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000610161758 480245053 /nfs/dbraw/zinc/24/50/53/480245053.db2.gz IGMPESYUQVRJAH-ZDUSSCGKSA-N -1 3 334.397 2.985 20 5 EFBDHM COc1cc(C(=O)Nc2cccc(C)c2[O-])c([N+](=O)[O-])cc1OC ZINC000610506007 480324513 /nfs/dbraw/zinc/32/45/13/480324513.db2.gz QJHIMIMBMHMXDM-UHFFFAOYSA-N -1 3 332.312 2.878 20 5 EFBDHM NC(=O)[C@@H]([N-]c1c(F)cc([N+](=O)[O-])cc1F)c1ccc(F)cc1 ZINC000129674499 534417910 /nfs/dbraw/zinc/41/79/10/534417910.db2.gz GBYZBYHUPYYQGP-LBPRGKRZSA-N -1 3 325.246 2.651 20 5 EFBDHM CCS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000176898159 521725004 /nfs/dbraw/zinc/72/50/04/521725004.db2.gz KOEUODUHTGZIJX-VXGBXAGGSA-N -1 3 344.458 2.937 20 5 EFBDHM Cc1ccc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])s1 ZINC000056078986 524589260 /nfs/dbraw/zinc/58/92/60/524589260.db2.gz RHRGIDNQVGFSCV-UHFFFAOYSA-N -1 3 326.399 2.752 20 5 EFBDHM Cc1ccc(-c2nnc(NC(=O)c3cc([N+](=O)[O-])ccc3C)[n-]2)o1 ZINC000181875469 525852379 /nfs/dbraw/zinc/85/23/79/525852379.db2.gz NWYQEXANHVUMLL-UHFFFAOYSA-N -1 3 327.300 2.842 20 5 EFBDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cc([N+](=O)[O-])ccc3C)n2)o1 ZINC000181875469 525852390 /nfs/dbraw/zinc/85/23/90/525852390.db2.gz NWYQEXANHVUMLL-UHFFFAOYSA-N -1 3 327.300 2.842 20 5 EFBDHM Cc1ccc(-c2nc(NC(=O)c3cc([N+](=O)[O-])ccc3C)n[n-]2)o1 ZINC000181875469 525852401 /nfs/dbraw/zinc/85/24/01/525852401.db2.gz NWYQEXANHVUMLL-UHFFFAOYSA-N -1 3 327.300 2.842 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccccc2F)c1C ZINC000119306383 526067544 /nfs/dbraw/zinc/06/75/44/526067544.db2.gz ZUUHIAVQANPQCD-UHFFFAOYSA-N -1 3 338.360 2.829 20 5 EFBDHM Cc1ncc(-c2ccc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)cc2)o1 ZINC000192954215 527216675 /nfs/dbraw/zinc/21/66/75/527216675.db2.gz SNDBZZRGLOANNR-UHFFFAOYSA-N -1 3 340.295 2.911 20 5 EFBDHM O=C([N-]c1nc2ccc(F)cn2n1)c1ccc([N+](=O)[O-])cc1Cl ZINC000085741083 527514060 /nfs/dbraw/zinc/51/40/60/527514060.db2.gz WHCQZGONZSXYTF-UHFFFAOYSA-N -1 3 335.682 2.682 20 5 EFBDHM O=C(Nc1nnc(-c2ccsc2)s1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000102900608 527532265 /nfs/dbraw/zinc/53/22/65/527532265.db2.gz NMTFWILWEFFUHV-UHFFFAOYSA-N -1 3 349.353 2.528 20 5 EFBDHM Cn1ncnc1[N-]C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000151052989 527637921 /nfs/dbraw/zinc/63/79/21/527637921.db2.gz LVQCROCWEUOOKW-UHFFFAOYSA-N -1 3 339.311 2.768 20 5 EFBDHM CCCc1[nH]nc(C(=O)[N-]c2nc3c(s2)CCCC3)c1[N+](=O)[O-] ZINC000171750083 528549337 /nfs/dbraw/zinc/54/93/37/528549337.db2.gz ZCQWQASPJABAPG-UHFFFAOYSA-N -1 3 335.389 2.858 20 5 EFBDHM CCC(CC)c1nnc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)s1 ZINC000186865403 528887333 /nfs/dbraw/zinc/88/73/33/528887333.db2.gz OPGKGLCCJFEOLS-UHFFFAOYSA-N -1 3 337.361 2.703 20 5 EFBDHM CCc1ccnc(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c1 ZINC000435651502 536012406 /nfs/dbraw/zinc/01/24/06/536012406.db2.gz UFMVKGFPQWGNMX-UHFFFAOYSA-N -1 3 349.412 2.648 20 5 EFBDHM CC[C@H](C)N[C@@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccco1 ZINC000359538228 536172913 /nfs/dbraw/zinc/17/29/13/536172913.db2.gz HKCKBLPURPEPHP-NHYWBVRUSA-N -1 3 347.371 2.753 20 5 EFBDHM COC(=O)c1cc([N-]C(=O)c2ccc(SC)o2)cc([N+](=O)[O-])c1 ZINC000346269742 536559907 /nfs/dbraw/zinc/55/99/07/536559907.db2.gz DEHPALYFZLEHFQ-UHFFFAOYSA-N -1 3 336.325 2.949 20 5 EFBDHM COc1ccc([O-])c(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000757424500 575839201 /nfs/dbraw/zinc/83/92/01/575839201.db2.gz GZIDULIJUWAYMH-UHFFFAOYSA-N -1 3 336.731 2.892 20 5 EFBDHM Cc1cc([O-])ccc1C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000758518521 575871417 /nfs/dbraw/zinc/87/14/17/575871417.db2.gz TUBVSUGDLJEWDL-UHFFFAOYSA-N -1 3 345.307 2.832 20 5 EFBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2CSc3ccccc32)cs1 ZINC000768831757 577307316 /nfs/dbraw/zinc/30/73/16/577307316.db2.gz KFLDIWBVBMQFNR-JTQLQIEISA-N -1 3 342.423 2.782 20 5 EFBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2C[C@@H]2Cc2ccccc2)cs1 ZINC000768842561 577308299 /nfs/dbraw/zinc/30/82/99/577308299.db2.gz NLTWVZFVINTXOL-AAEUAGOBSA-N -1 3 338.410 2.566 20 5 EFBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CCCCC2)cs1 ZINC000768841922 577308371 /nfs/dbraw/zinc/30/83/71/577308371.db2.gz JXQBSYFHLOZOPP-NWDGAFQWSA-N -1 3 330.431 2.903 20 5 EFBDHM CCC1(CC)[C@@H]([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)C[C@@H]1OC ZINC000768862432 577311238 /nfs/dbraw/zinc/31/12/38/577311238.db2.gz KPHDZSRYCUSWOW-QWRGUYRKSA-N -1 3 348.446 2.528 20 5 EFBDHM CC(C)(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)CCO1 ZINC000768882504 577313826 /nfs/dbraw/zinc/31/38/26/577313826.db2.gz OLWJBOPBCPIEBN-ONGXEEELSA-N -1 3 348.446 2.528 20 5 EFBDHM COc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1F ZINC000769889307 577391660 /nfs/dbraw/zinc/39/16/60/577391660.db2.gz HMJPFJYNQZGSIL-UHFFFAOYSA-N -1 3 340.332 2.852 20 5 EFBDHM O=C(Oc1ccc(N2CCCC2=O)cc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000771946285 581263047 /nfs/dbraw/zinc/26/30/47/581263047.db2.gz ITEXMRXESWUPSC-UHFFFAOYSA-N -1 3 342.307 2.646 20 5 EFBDHM COc1ccc([O-])c(C(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)c1 ZINC000773993179 581477446 /nfs/dbraw/zinc/47/74/46/581477446.db2.gz XZZIGQVTGWHIHL-UHFFFAOYSA-N -1 3 328.324 2.820 20 5 EFBDHM C[C@@]1(c2ccccc2)C[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820637745 599038935 /nfs/dbraw/zinc/03/89/35/599038935.db2.gz ZLKKXPTZKGWULB-RDJZCZTQSA-N -1 3 336.355 2.917 20 5 EFBDHM C[C@@]1(c2ccccc2)C[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820637745 599038936 /nfs/dbraw/zinc/03/89/36/599038936.db2.gz ZLKKXPTZKGWULB-RDJZCZTQSA-N -1 3 336.355 2.917 20 5 EFBDHM COc1ccc(-c2nnn[n-]2)cc1N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000821765363 599156414 /nfs/dbraw/zinc/15/64/14/599156414.db2.gz BFLAFONJSURISO-SNVBAGLBSA-N -1 3 340.343 2.957 20 5 EFBDHM COc1ccc(-c2nn[n-]n2)cc1N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000821765363 599156417 /nfs/dbraw/zinc/15/64/17/599156417.db2.gz BFLAFONJSURISO-SNVBAGLBSA-N -1 3 340.343 2.957 20 5 EFBDHM Cc1nc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cs1 ZINC000737471100 598468930 /nfs/dbraw/zinc/46/89/30/598468930.db2.gz NZJXQAFCOFNIGT-SSDOTTSWSA-N -1 3 331.361 2.713 20 5 EFBDHM Cc1nc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cs1 ZINC000737471100 598468932 /nfs/dbraw/zinc/46/89/32/598468932.db2.gz NZJXQAFCOFNIGT-SSDOTTSWSA-N -1 3 331.361 2.713 20 5 EFBDHM O=[N+]([O-])c1ccc(OCc2ccc(F)cc2-c2nnn[n-]2)c(F)c1 ZINC000738366069 598645677 /nfs/dbraw/zinc/64/56/77/598645677.db2.gz BBHJHWQGYJLHCB-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1ccc(OCc2ccc(F)cc2-c2nn[n-]n2)c(F)c1 ZINC000738366069 598645679 /nfs/dbraw/zinc/64/56/79/598645679.db2.gz BBHJHWQGYJLHCB-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1ccc(NCCc2ccc(F)cc2F)c(-c2nnn[n-]2)c1 ZINC000738371925 598756390 /nfs/dbraw/zinc/75/63/90/598756390.db2.gz ZCGMHUDIOLNZLP-UHFFFAOYSA-N -1 3 346.297 2.708 20 5 EFBDHM O=[N+]([O-])c1ccc(NCCc2ccc(F)cc2F)c(-c2nn[n-]n2)c1 ZINC000738371925 598756391 /nfs/dbraw/zinc/75/63/91/598756391.db2.gz ZCGMHUDIOLNZLP-UHFFFAOYSA-N -1 3 346.297 2.708 20 5 EFBDHM O=[N+]([O-])c1ccc(NCCCc2ccc(O)cc2)c(-c2nnn[n-]2)c1 ZINC000738369564 599306190 /nfs/dbraw/zinc/30/61/90/599306190.db2.gz IWLRWJVQDAUXNN-UHFFFAOYSA-N -1 3 340.343 2.525 20 5 EFBDHM O=[N+]([O-])c1ccc(NCCCc2ccc(O)cc2)c(-c2nn[n-]n2)c1 ZINC000738369564 599306195 /nfs/dbraw/zinc/30/61/95/599306195.db2.gz IWLRWJVQDAUXNN-UHFFFAOYSA-N -1 3 340.343 2.525 20 5 EFBDHM C[C@@H]1c2ccsc2CCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820825760 599433120 /nfs/dbraw/zinc/43/31/20/599433120.db2.gz CVZAASNNRGIEFX-SECBINFHSA-N -1 3 342.384 2.960 20 5 EFBDHM C[C@@H]1c2ccsc2CCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820825760 599433122 /nfs/dbraw/zinc/43/31/22/599433122.db2.gz CVZAASNNRGIEFX-SECBINFHSA-N -1 3 342.384 2.960 20 5 EFBDHM O=C([O-])C[C@@H]1CCCCN1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000739639543 600078768 /nfs/dbraw/zinc/07/87/68/600078768.db2.gz PJENDJCXAFJKDV-INIZCTEOSA-N -1 3 344.371 2.745 20 5 EFBDHM CCOc1ccc([N+](=O)[O-])cc1CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000830094517 601305668 /nfs/dbraw/zinc/30/56/68/601305668.db2.gz JYDGZHKVWIDWQY-CQSZACIVSA-N -1 3 334.372 2.680 20 5 EFBDHM CCOc1ccc([C@H](C)N[C@H]2CCCN(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000833664197 604512089 /nfs/dbraw/zinc/51/20/89/604512089.db2.gz RBTFPBIDBCIPLN-AAEUAGOBSA-N -1 3 337.376 2.787 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCS[C@@H]2CCCC[C@H]21 ZINC000823629832 606594338 /nfs/dbraw/zinc/59/43/38/606594338.db2.gz IZHFUCYSDNHKKM-TZMCWYRMSA-N -1 3 346.416 2.639 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCS[C@@H]2CCCC[C@H]21 ZINC000823629832 606594341 /nfs/dbraw/zinc/59/43/41/606594341.db2.gz IZHFUCYSDNHKKM-TZMCWYRMSA-N -1 3 346.416 2.639 20 5 EFBDHM Cc1cnc(Oc2cc(Cl)ccc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000822399218 606789711 /nfs/dbraw/zinc/78/97/11/606789711.db2.gz CKRLTSFWNXSLKE-UHFFFAOYSA-N -1 3 332.707 2.924 20 5 EFBDHM Cc1cnc(Oc2cc(Cl)ccc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000822399218 606789712 /nfs/dbraw/zinc/78/97/12/606789712.db2.gz CKRLTSFWNXSLKE-UHFFFAOYSA-N -1 3 332.707 2.924 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@H](c2cccnc2)C2CC2)c(-c2nnn[n-]2)c1 ZINC000826498819 607969093 /nfs/dbraw/zinc/96/90/93/607969093.db2.gz KZYKTABPLBONMZ-HNNXBMFYSA-N -1 3 337.343 2.733 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@H](c2cccnc2)C2CC2)c(-c2nn[n-]n2)c1 ZINC000826498819 607969094 /nfs/dbraw/zinc/96/90/94/607969094.db2.gz KZYKTABPLBONMZ-HNNXBMFYSA-N -1 3 337.343 2.733 20 5 EFBDHM O=C(CC1CCC1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826404243 608160393 /nfs/dbraw/zinc/16/03/93/608160393.db2.gz UESPRKZWGLUXTJ-UHFFFAOYSA-N -1 3 336.739 2.557 20 5 EFBDHM O=C(CC1CCC1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826404243 608160394 /nfs/dbraw/zinc/16/03/94/608160394.db2.gz UESPRKZWGLUXTJ-UHFFFAOYSA-N -1 3 336.739 2.557 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2ccncc2)c(-c2nnn[n-]2)c1 ZINC000826498631 608397435 /nfs/dbraw/zinc/39/74/35/608397435.db2.gz DBJLAYBNDIOBAC-CQSZACIVSA-N -1 3 337.343 2.511 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2ccncc2)c(-c2nn[n-]n2)c1 ZINC000826498631 608397436 /nfs/dbraw/zinc/39/74/36/608397436.db2.gz DBJLAYBNDIOBAC-CQSZACIVSA-N -1 3 337.343 2.511 20 5 EFBDHM C[C@@H]1CC[C@@]2(CCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)C1 ZINC000824919181 609389893 /nfs/dbraw/zinc/38/98/93/609389893.db2.gz SOYGBUHRYQHQDF-BDJLRTHQSA-N -1 3 328.376 2.791 20 5 EFBDHM C[C@@H]1CC[C@@]2(CCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)C1 ZINC000824919181 609389895 /nfs/dbraw/zinc/38/98/95/609389895.db2.gz SOYGBUHRYQHQDF-BDJLRTHQSA-N -1 3 328.376 2.791 20 5 EFBDHM COc1cc(CNc2cc(-c3nnn[n-]3)ccc2C)ccc1[N+](=O)[O-] ZINC000826179506 609437448 /nfs/dbraw/zinc/43/74/48/609437448.db2.gz QWIVDQUXKYQOSY-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM COc1cc(CNc2cc(-c3nn[n-]n3)ccc2C)ccc1[N+](=O)[O-] ZINC000826179506 609437450 /nfs/dbraw/zinc/43/74/50/609437450.db2.gz QWIVDQUXKYQOSY-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM CCCCCN(CCCOC)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000825275938 609576880 /nfs/dbraw/zinc/57/68/80/609576880.db2.gz IUISUZYBRUZQKQ-UHFFFAOYSA-N -1 3 348.407 2.808 20 5 EFBDHM CCCCCN(CCCOC)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000825275938 609576881 /nfs/dbraw/zinc/57/68/81/609576881.db2.gz IUISUZYBRUZQKQ-UHFFFAOYSA-N -1 3 348.407 2.808 20 5 EFBDHM CC(C)(C(=O)NC/C=C\CNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CCC1 ZINC001107437947 1255819010 /nfs/dbraw/zinc/81/90/10/1255819010.db2.gz ARLUQKSCXKOZOM-ARJAWSKDSA-N -1 3 348.403 2.606 20 5 EFBDHM CC1(C)CC(CC(=O)NC/C=C\CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001107483195 1255965134 /nfs/dbraw/zinc/96/51/34/1255965134.db2.gz YYPKOYXUNNJFID-ARJAWSKDSA-N -1 3 348.403 2.606 20 5 EFBDHM CN(CCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C1CCCCC1 ZINC001109358209 1274189215 /nfs/dbraw/zinc/18/92/15/1274189215.db2.gz YGUIWGFFUMBGED-UHFFFAOYSA-N -1 3 336.392 2.536 20 5 EFBDHM C[C@@H]([N-]c1c([N+](=O)[O-])cccc1[N+](=O)[O-])C(=O)NCc1ccccc1 ZINC000804373328 1280176636 /nfs/dbraw/zinc/17/66/36/1280176636.db2.gz YMMNWMNTOXYOQJ-LLVKDONJSA-N -1 3 344.327 2.620 20 5 EFBDHM O=[N+]([O-])c1cccc([N+](=O)[O-])c1[N-]c1ccn(Cc2ccccn2)n1 ZINC000804426845 1280205518 /nfs/dbraw/zinc/20/55/18/1280205518.db2.gz OKIXMPJVRLWSHX-UHFFFAOYSA-N -1 3 340.299 2.886 20 5 EFBDHM CCC(=CC(=O)NC[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1)CC ZINC001091330917 1280355103 /nfs/dbraw/zinc/35/51/03/1280355103.db2.gz XCSDAWHDXPCVQK-BETUJISGSA-N -1 3 348.403 2.749 20 5 EFBDHM O=C(CC1CCCC1)NC[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001091416537 1280584081 /nfs/dbraw/zinc/58/40/81/1280584081.db2.gz IIWZOENHRGBKNC-JOCQHMNTSA-N -1 3 348.403 2.582 20 5 EFBDHM C=C/C(C)=C\CC(=O)NC[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001091500195 1280767182 /nfs/dbraw/zinc/76/71/82/1280767182.db2.gz RMGBOOXUVJZTQE-ZLFGCLGPSA-N -1 3 346.387 2.525 20 5 EFBDHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1ccc[nH]1 ZINC000809827546 1282528566 /nfs/dbraw/zinc/52/85/66/1282528566.db2.gz DGEDSLDDRINOMR-ZETCQYMHSA-N -1 3 347.755 2.755 20 5 EFBDHM CCCCCCC(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001110137215 1283030754 /nfs/dbraw/zinc/03/07/54/1283030754.db2.gz IHFDKIJWJVTZLO-UHFFFAOYSA-N -1 3 336.392 2.727 20 5 EFBDHM C/C=C(\C)C(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCCCC1 ZINC001093391726 1283757198 /nfs/dbraw/zinc/75/71/98/1283757198.db2.gz ANGCOUXEQBIPJZ-KGVSQERTSA-N -1 3 348.403 2.893 20 5 EFBDHM O=C(NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCCCC1)C1CCC1 ZINC001093373709 1283815348 /nfs/dbraw/zinc/81/53/48/1283815348.db2.gz WYWTXVDADDAGEV-UHFFFAOYSA-N -1 3 348.403 2.727 20 5 EFBDHM C/C=C(/C)C(=O)NC1CC2(C1)CC(Nc1cc[n-]c(=O)c1[N+](=O)[O-])C2 ZINC001093429424 1283952777 /nfs/dbraw/zinc/95/27/77/1283952777.db2.gz SBZRGYRKKHXFMV-KMKOMSMNSA-N -1 3 346.387 2.501 20 5 EFBDHM O=C(NCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C1(C2CCCCC2)CC1 ZINC001093777527 1284538788 /nfs/dbraw/zinc/53/87/88/1284538788.db2.gz GTXKEPALWLDWDH-UHFFFAOYSA-N -1 3 348.403 2.584 20 5 EFBDHM Cc1oc(C(C)C)cc1C(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093829982 1284549003 /nfs/dbraw/zinc/54/90/03/1284549003.db2.gz LFLDNQGKCVZVMN-UHFFFAOYSA-N -1 3 348.359 2.562 20 5 EFBDHM CC(C)(C)CCCCC(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093898921 1284630383 /nfs/dbraw/zinc/63/03/83/1284630383.db2.gz ATOAWIGNKRSBEW-UHFFFAOYSA-N -1 3 338.408 2.830 20 5 EFBDHM O=C(NCCCNc1cccc(F)c1[N+](=O)[O-])c1ccccc1[O-] ZINC001094338218 1284943458 /nfs/dbraw/zinc/94/34/58/1284943458.db2.gz GSUSWJBCERQJAM-UHFFFAOYSA-N -1 3 333.319 2.672 20 5 EFBDHM O=C(CCCF)NCCCCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094985023 1286351134 /nfs/dbraw/zinc/35/11/34/1286351134.db2.gz XWHSMHXDSGXSDA-UHFFFAOYSA-N -1 3 342.371 2.534 20 5 EFBDHM CC(C)(C)/C=C\C(=O)N1CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001095222832 1286697686 /nfs/dbraw/zinc/69/76/86/1286697686.db2.gz LODJISRPZUDHTL-YWEYNIOJSA-N -1 3 348.403 2.701 20 5 EFBDHM CCCC1(C(=O)N2CCC(Nc3cc[n-]c(=O)c3[N+](=O)[O-])CC2)CC1 ZINC001095246252 1286716293 /nfs/dbraw/zinc/71/62/93/1286716293.db2.gz JQQMDCFTUFRGIP-UHFFFAOYSA-N -1 3 348.403 2.679 20 5 EFBDHM CC/C=C(/C)C(=O)N1CCC(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001095253923 1286767911 /nfs/dbraw/zinc/76/79/11/1286767911.db2.gz CVAGARUEGFIYKJ-QCDXTXTGSA-N -1 3 348.403 2.702 20 5 EFBDHM CC/C=C(\C)C(=O)N1CCC(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001095253925 1286767935 /nfs/dbraw/zinc/76/79/35/1286767935.db2.gz CVAGARUEGFIYKJ-UUILKARUSA-N -1 3 348.403 2.702 20 5 EFBDHM CC(C)=C(C)CC(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001110311573 1290204197 /nfs/dbraw/zinc/20/41/97/1290204197.db2.gz HWCOEFZMCWLIMW-UHFFFAOYSA-N -1 3 334.376 2.503 20 5 EFBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nc(-c2cc(F)c(F)cc2F)no1 ZINC001212935750 1290902942 /nfs/dbraw/zinc/90/29/42/1290902942.db2.gz KWBGOEJRERVDKG-UHFFFAOYSA-N -1 3 338.201 2.830 20 5 EFBDHM O=C(CCC1CCC1)N[C@H]1C[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001114765112 1291858536 /nfs/dbraw/zinc/85/85/36/1291858536.db2.gz YZGIXBBQPDCGFI-JOCQHMNTSA-N -1 3 348.403 2.582 20 5 EFBDHM CCOC(=O)[C@@H](Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1)C1CC1 ZINC001233505887 1312946952 /nfs/dbraw/zinc/94/69/52/1312946952.db2.gz JBHWYNOITHZLFX-LBPRGKRZSA-N -1 3 339.735 2.845 20 5 EFBDHM O=c1[n-]cc(-c2nc(-c3cccc4cnccc43)no2)cc1[N+](=O)[O-] ZINC001212844023 1295536907 /nfs/dbraw/zinc/53/69/07/1295536907.db2.gz IWAWFSKSIXJKPP-UHFFFAOYSA-N -1 3 335.279 2.961 20 5 EFBDHM Cc1cnn(Cc2cccnc2)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199802754 1295760726 /nfs/dbraw/zinc/76/07/26/1295760726.db2.gz XUPKVFVHGRYFOM-UHFFFAOYSA-N -1 3 325.328 2.992 20 5 EFBDHM Nc1cc(Br)cnc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199801160 1295760794 /nfs/dbraw/zinc/76/07/94/1295760794.db2.gz AHWJGWBYYIUMFB-UHFFFAOYSA-N -1 3 325.122 2.784 20 5 EFBDHM O=c1[nH]c(Br)ccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199818435 1295765846 /nfs/dbraw/zinc/76/58/46/1295765846.db2.gz ANMKVTAOPGXPBV-UHFFFAOYSA-N -1 3 326.106 2.907 20 5 EFBDHM C[C@@H](C[N+](C)(C)C)Oc1cc([O-])cc2oc3c([O-])cccc3c(=O)c12 ZINC001234741460 1313188335 /nfs/dbraw/zinc/18/83/35/1313188335.db2.gz IKORLEDGHOJZFO-NSHDSACASA-O -1 3 344.387 2.831 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CC[C@H](Oc3nc4ccsc4[n-]3)C2)nc1 ZINC001234848621 1313197929 /nfs/dbraw/zinc/19/79/29/1313197929.db2.gz RNKUFCVPNBQGLQ-JTQLQIEISA-N -1 3 331.357 2.585 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CC[C@H](Oc3nc4sccc4[n-]3)C2)nc1 ZINC001234848621 1313197931 /nfs/dbraw/zinc/19/79/31/1313197931.db2.gz RNKUFCVPNBQGLQ-JTQLQIEISA-N -1 3 331.357 2.585 20 5 EFBDHM O=[N+]([O-])C[C@H](Oc1nc2ccsc2[n-]1)c1ccc2c(c1)OCO2 ZINC001234848784 1313198148 /nfs/dbraw/zinc/19/81/48/1313198148.db2.gz UDFZMAIVZZYSSG-LBPRGKRZSA-N -1 3 333.325 2.750 20 5 EFBDHM COC(=O)c1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(C(=O)OC)c1 ZINC001201229735 1296636163 /nfs/dbraw/zinc/63/61/63/1296636163.db2.gz QCQSRDKREZHHDD-UHFFFAOYSA-N -1 3 346.295 2.617 20 5 EFBDHM COC(=O)c1cc2c(ccn2-c2cc([O-])cc([N+](=O)[O-])c2)c(N)c1 ZINC001201229749 1296636590 /nfs/dbraw/zinc/63/65/90/1296636590.db2.gz QPEJYSRRAWMDCW-UHFFFAOYSA-N -1 3 327.296 2.613 20 5 EFBDHM COC(=O)c1c(OC)ccc(OC)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201229259 1296638313 /nfs/dbraw/zinc/63/83/13/1296638313.db2.gz JTUWZTAFSFWCLU-UHFFFAOYSA-N -1 3 348.311 2.848 20 5 EFBDHM CS(=O)(=O)c1ccc(F)c(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201221544 1296668592 /nfs/dbraw/zinc/66/85/92/1296668592.db2.gz DIBAOIFJAQZZGD-UHFFFAOYSA-N -1 3 326.305 2.587 20 5 EFBDHM COC(=O)c1ccc(C(=O)OC)c(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201221973 1296669766 /nfs/dbraw/zinc/66/97/66/1296669766.db2.gz GPVFDESDAKIDCI-UHFFFAOYSA-N -1 3 346.295 2.617 20 5 EFBDHM O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[N-]OC1CCCCC1 ZINC000777961929 1297316744 /nfs/dbraw/zinc/31/67/44/1297316744.db2.gz OUTYTRJKDWEXGW-UHFFFAOYSA-N -1 3 337.332 2.816 20 5 EFBDHM O=c1[n-]ccc(N2CCO[C@H](c3ccc(F)c(F)c3)C2)c1[N+](=O)[O-] ZINC000853259031 1300072691 /nfs/dbraw/zinc/07/26/91/1300072691.db2.gz MRLQSTTVIHFDFS-ZDUSSCGKSA-N -1 3 337.282 2.552 20 5 EFBDHM C[C@@H]1COCCN1c1ccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000853361107 1300095572 /nfs/dbraw/zinc/09/55/72/1300095572.db2.gz GZQGSKZZMJRTNK-LLVKDONJSA-N -1 3 330.344 2.664 20 5 EFBDHM C[C@@]1(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1(Cl)Cl ZINC000832147584 1300198171 /nfs/dbraw/zinc/19/81/71/1300198171.db2.gz IDUPWQFJVGGYGS-QMMMGPOBSA-N -1 3 345.229 2.519 20 5 EFBDHM O=C([N-]OC1CCCC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000860602480 1301855520 /nfs/dbraw/zinc/85/55/20/1301855520.db2.gz RTFKNKVHUIDULV-UHFFFAOYSA-N -1 3 329.150 2.961 20 5 EFBDHM CC(C)(C)CCC(=O)N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001097054129 1313826009 /nfs/dbraw/zinc/82/60/09/1313826009.db2.gz LSSCRRIPVWFGSW-XYPYZODXSA-N -1 3 336.392 2.581 20 5 EFBDHM CCC(C)(CC)C(=O)N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001097186441 1313896974 /nfs/dbraw/zinc/89/69/74/1313896974.db2.gz CSUQARJAVAQTJJ-PHIMTYICSA-N -1 3 336.392 2.581 20 5 EFBDHM O=C1[N-]C(=O)C(=CNc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc21 ZINC000016719473 1303915250 /nfs/dbraw/zinc/91/52/50/1303915250.db2.gz HOVNNOYPGRBUHL-XYOKQWHBSA-N -1 3 343.726 2.971 20 5 EFBDHM C=C/C(C)=C\CC(=O)NCCCN(CC)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001095943123 1305791355 /nfs/dbraw/zinc/79/13/55/1305791355.db2.gz AMZYOYWWQWFPER-QPEQYQDCSA-N -1 3 348.403 2.550 20 5 EFBDHM O=[N+]([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc3c(c2)COC3)c1 ZINC000800930143 1308694169 /nfs/dbraw/zinc/69/41/69/1308694169.db2.gz WRGLLOVQEOQAPB-UHFFFAOYSA-N -1 3 338.316 2.565 20 5 EFBDHM COc1ncc(Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1[N+](=O)[O-] ZINC001210136583 1314286545 /nfs/dbraw/zinc/28/65/45/1314286545.db2.gz LUYGFBJNDSWALJ-UHFFFAOYSA-N -1 3 327.300 2.633 20 5 EFBDHM CCCCOC[C@H](C)OC[C@H](C)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225664104 1311561994 /nfs/dbraw/zinc/56/19/94/1311561994.db2.gz JQFHQTZWKUQNQD-RYUDHWBXSA-N -1 3 328.365 2.685 20 5 EFBDHM CCc1c(C)nc2n(c1=O)CCC[C@@H]2Oc1c([O-])cccc1[N+](=O)[O-] ZINC001226332559 1311650239 /nfs/dbraw/zinc/65/02/39/1311650239.db2.gz CELBEOKWLIZOSS-AWEZNQCLSA-N -1 3 345.355 2.642 20 5 EFBDHM CCOC(=O)[C@H](C)[C@@H](Oc1c([O-])cccc1[N+](=O)[O-])C(F)(F)F ZINC001226336262 1311651147 /nfs/dbraw/zinc/65/11/47/1311651147.db2.gz OVSDSIHMLYOHFP-RDDDGLTNSA-N -1 3 337.250 2.809 20 5 EFBDHM CC(=O)c1ccc([O-])c(O[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1O ZINC001226479674 1311674898 /nfs/dbraw/zinc/67/48/98/1311674898.db2.gz RNLZDRMAVOTFNN-ZDUSSCGKSA-N -1 3 329.308 2.755 20 5 EFBDHM Cc1cc(O[C@H](C)c2cc3c(cc2[N+](=O)[O-])OCO3)[n-]c(=S)n1 ZINC001226798241 1311724801 /nfs/dbraw/zinc/72/48/01/1311724801.db2.gz HGYKSUYBCUZXLG-MRVPVSSYSA-N -1 3 335.341 2.851 20 5 EFBDHM C[C@H](C[NH+](C)C)Oc1cc2c([O-])c3c(=O)cccc-3oc2cc1[O-] ZINC001227307378 1311791383 /nfs/dbraw/zinc/79/13/83/1311791383.db2.gz WINUURRPHNXBRP-SNVBAGLBSA-N -1 3 329.352 2.686 20 5 EFBDHM CC(C)Oc1ccc(COc2ncc([N+](=O)[O-])c3nc[n-]c32)cn1 ZINC001227690488 1311839659 /nfs/dbraw/zinc/83/96/59/1311839659.db2.gz HKOGYVFNELYONX-UHFFFAOYSA-N -1 3 329.316 2.627 20 5 EFBDHM C[C@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)c1cccc([N+](=O)[O-])c1 ZINC001227691106 1311839888 /nfs/dbraw/zinc/83/98/88/1311839888.db2.gz MNOVZBVLMCSFMH-QMMMGPOBSA-N -1 3 329.272 2.914 20 5 EFBDHM C[C@@H](COc1ncc([N+](=O)[O-])c2nc[n-]c21)OCc1ccccc1 ZINC001227690962 1311839920 /nfs/dbraw/zinc/83/99/20/1311839920.db2.gz LKPWKCIRDSSJNW-NSHDSACASA-N -1 3 328.328 2.850 20 5 EFBDHM C[C@H](COc1ncc([N+](=O)[O-])c2nc[n-]c21)OCc1ccccc1 ZINC001227690960 1311839966 /nfs/dbraw/zinc/83/99/66/1311839966.db2.gz LKPWKCIRDSSJNW-LLVKDONJSA-N -1 3 328.328 2.850 20 5 EFBDHM O=[N+]([O-])c1cnc(O[C@H]2C[C@H](OCc3ccccc3)C2)c2[n-]cnc21 ZINC001227694236 1311840371 /nfs/dbraw/zinc/84/03/71/1311840371.db2.gz FMCUECULRVIBIS-JOCQHMNTSA-N -1 3 340.339 2.993 20 5 EFBDHM O=[N+]([O-])c1cnc(OC[C@@H]2CCc3ccccc3O2)c2[n-]cnc21 ZINC001227692773 1311840587 /nfs/dbraw/zinc/84/05/87/1311840587.db2.gz CODVTLIPOIOJJW-NSHDSACASA-N -1 3 326.312 2.639 20 5 EFBDHM COc1ccc2c(c1)CC[C@@H](Oc1ncc([N+](=O)[O-])c3nc[n-]c31)C2 ZINC001227695176 1311840836 /nfs/dbraw/zinc/84/08/36/1311840836.db2.gz MKYIFFKFJMFKCB-CYBMUJFWSA-N -1 3 340.339 2.811 20 5 EFBDHM CCOC(=O)[C@@H]1CCC[C@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)C1 ZINC001227743513 1311848476 /nfs/dbraw/zinc/84/84/76/1311848476.db2.gz RQJOEQOWADJNAD-PWSUYJOCSA-N -1 3 333.344 2.972 20 5 EFBDHM CCOC(=O)[C@@H]1CCC[C@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC001227743513 1311848478 /nfs/dbraw/zinc/84/84/78/1311848478.db2.gz RQJOEQOWADJNAD-PWSUYJOCSA-N -1 3 333.344 2.972 20 5 EFBDHM CCOC(=O)[C@@H]1CCCC[C@H]1Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227744596 1311849182 /nfs/dbraw/zinc/84/91/82/1311849182.db2.gz GVCADMBIPKFTJX-BXUZGUMPSA-N -1 3 333.344 2.972 20 5 EFBDHM CCOC(=O)[C@@H]1CCCC[C@H]1Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227744596 1311849186 /nfs/dbraw/zinc/84/91/86/1311849186.db2.gz GVCADMBIPKFTJX-BXUZGUMPSA-N -1 3 333.344 2.972 20 5 EFBDHM COC(=O)C[C@@H]1CCC[C@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)C1 ZINC001227746807 1311849490 /nfs/dbraw/zinc/84/94/90/1311849490.db2.gz VIFLMOBQKJQNFF-PWSUYJOCSA-N -1 3 333.344 2.972 20 5 EFBDHM COC(=O)C[C@@H]1CCC[C@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC001227746807 1311849491 /nfs/dbraw/zinc/84/94/91/1311849491.db2.gz VIFLMOBQKJQNFF-PWSUYJOCSA-N -1 3 333.344 2.972 20 5 EFBDHM COC(=O)C[C@H]1CCC[C@@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)C1 ZINC001227746805 1311849607 /nfs/dbraw/zinc/84/96/07/1311849607.db2.gz VIFLMOBQKJQNFF-CMPLNLGQSA-N -1 3 333.344 2.972 20 5 EFBDHM COC(=O)C[C@H]1CCC[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC001227746805 1311849610 /nfs/dbraw/zinc/84/96/10/1311849610.db2.gz VIFLMOBQKJQNFF-CMPLNLGQSA-N -1 3 333.344 2.972 20 5 EFBDHM COC(=O)[C@H]1CCC[C@H](Oc2nc3cc([N+](=O)[O-])c(C)cc3[n-]2)C1 ZINC001228674176 1311980153 /nfs/dbraw/zinc/98/01/53/1311980153.db2.gz IMXSNWFVHBKMLL-QWRGUYRKSA-N -1 3 333.344 2.890 20 5 EFBDHM CCOC(=O)[C@H](Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-])c1ccccc1 ZINC001228686247 1311982053 /nfs/dbraw/zinc/98/20/53/1311982053.db2.gz MYZBCHQAPKHQDY-OAHLLOKOSA-N -1 3 332.312 2.687 20 5 EFBDHM COc1ccc(OC[C@H](C)Oc2cc(=O)[n-]c(C)c2[N+](=O)[O-])cc1 ZINC001228689205 1311982359 /nfs/dbraw/zinc/98/23/59/1311982359.db2.gz QAFSJLBJCBVCBD-JTQLQIEISA-N -1 3 334.328 2.859 20 5 EFBDHM CCCCOC[C@H](C)OC[C@H](C)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228688934 1311982476 /nfs/dbraw/zinc/98/24/76/1311982476.db2.gz NAONFWMXRQFGRB-RYUDHWBXSA-N -1 3 342.392 2.993 20 5 EFBDHM Cc1ncc(Nc2cc(Cl)nc3ccc([N+](=O)[O-])cc32)c(=O)[n-]1 ZINC001162303768 1312084669 /nfs/dbraw/zinc/08/46/69/1312084669.db2.gz WYRXGVLFYQCFCR-GFCCVEGCSA-N -1 3 331.719 2.606 20 5 EFBDHM O=c1[nH][n-]cc1CCCNc1nc(-c2ccccc2)ccc1[N+](=O)[O-] ZINC001164370765 1312501926 /nfs/dbraw/zinc/50/19/26/1312501926.db2.gz LPRWSFFOIFUCIN-ZDUSSCGKSA-N -1 3 339.355 2.581 20 5 EFBDHM COC(=O)c1cnc([N-]c2ccc(C)cc2[N+](=O)[O-])c(C(=O)OC)c1 ZINC001214169360 1314653405 /nfs/dbraw/zinc/65/34/05/1314653405.db2.gz ITKLCOUVGQXEHV-UHFFFAOYSA-N -1 3 345.311 2.615 20 5 EFBDHM COc1ccc([O-])c(-c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)c1 ZINC001215155357 1314790819 /nfs/dbraw/zinc/79/08/19/1314790819.db2.gz KJIUUISKHUKMEC-UHFFFAOYSA-N -1 3 332.247 2.560 20 5 EFBDHM Cc1cc(-c2noc(C(=O)[N-]c3ccc([N+](=O)[O-])cc3)n2)cnc1C ZINC001248000372 1314880144 /nfs/dbraw/zinc/88/01/44/1314880144.db2.gz QLGLYKCWRVOFOC-UHFFFAOYSA-N -1 3 339.311 2.909 20 5 EFBDHM Cc1ccncc1-c1noc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2)n1 ZINC001247999212 1314880275 /nfs/dbraw/zinc/88/02/75/1314880275.db2.gz INOWXBHKJAZLMM-UHFFFAOYSA-N -1 3 325.284 2.601 20 5 EFBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nnc(Cc2ccccc2Cl)o1 ZINC001254381213 1315700060 /nfs/dbraw/zinc/70/00/60/1315700060.db2.gz OJUWSFDBWSHYTM-UHFFFAOYSA-N -1 3 332.703 2.990 20 5 EFBDHM CS(=O)(=O)[N-]c1cccc(F)c1CNc1ccc([N+](=O)[O-])s1 ZINC001319061784 1328774136 /nfs/dbraw/zinc/77/41/36/1328774136.db2.gz HGXJVEGCVOLMNH-UHFFFAOYSA-N -1 3 345.377 2.779 20 5 EFBDHM CS(=O)(=O)[N-]c1cccc(F)c1CNc1ccc([N+](=O)[O-])cc1 ZINC001319131752 1328785917 /nfs/dbraw/zinc/78/59/17/1328785917.db2.gz ZQNCXEFETLQRFW-UHFFFAOYSA-N -1 3 339.348 2.718 20 5 EFBDHM CS(=O)(=O)[N-]c1cccc(F)c1CNc1sccc1[N+](=O)[O-] ZINC001319813665 1329000171 /nfs/dbraw/zinc/00/01/71/1329000171.db2.gz GTFXBTNISNTNOV-UHFFFAOYSA-N -1 3 345.377 2.779 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCC(F)F)c(Cl)c1 ZINC001333489842 1331154499 /nfs/dbraw/zinc/15/44/99/1331154499.db2.gz RAQMDWXEIZHDTD-UHFFFAOYSA-N -1 3 328.724 2.572 20 5 EFBDHM CN(CC1CCCCC1)c1nnc(-c2cc([N+](=O)[O-])c[n-]c2=O)n1C ZINC001345983183 1332590206 /nfs/dbraw/zinc/59/02/06/1332590206.db2.gz CECTZZVHSIGTBX-UHFFFAOYSA-N -1 3 346.391 2.507 20 5 EFBDHM O=C([N-][C@H]1CCC(F)(F)C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848584559 1334807328 /nfs/dbraw/zinc/80/73/28/1334807328.db2.gz BQDNTBSDVKRAEA-QMMMGPOBSA-N -1 3 336.241 2.870 20 5 EFBDHM CC(C)(NC(=O)c1cc2c(cc1[O-])OCO2)c1ccccc1[N+](=O)[O-] ZINC000436782776 719483532 /nfs/dbraw/zinc/48/35/32/719483532.db2.gz ZJERLPGTVMDZEB-UHFFFAOYSA-N -1 3 344.323 2.694 20 5 EFBDHM CC(=O)Nc1cccc(OC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC000122635372 719573227 /nfs/dbraw/zinc/57/32/27/719573227.db2.gz WTSKYALFNLZDFP-UHFFFAOYSA-N -1 3 340.295 2.649 20 5 EFBDHM Cc1ccc(N[C@H]2C[C@H](NC(=O)c3ccccc3[O-])C2)c([N+](=O)[O-])c1 ZINC001059153259 722659569 /nfs/dbraw/zinc/65/95/69/722659569.db2.gz KBBCVPSEIUTJRD-JOCQHMNTSA-N -1 3 341.367 2.982 20 5 EFBDHM O=C(N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1)C1CCC=CCC1 ZINC001059235189 723063449 /nfs/dbraw/zinc/06/34/49/723063449.db2.gz MYZBRCHTGNRCFI-JOCQHMNTSA-N -1 3 346.387 2.501 20 5 EFBDHM C[C@H]1CC[C@H](C(=O)N[C@H]2C[C@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)CC1 ZINC001059268274 723250108 /nfs/dbraw/zinc/25/01/08/723250108.db2.gz CMVHBOQFUVYJLV-NGBBIHDVSA-N -1 3 348.403 2.581 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nc(-c3ccc([O-])cc3)no2)cc([N+](=O)[O-])c1 ZINC000731791155 726934369 /nfs/dbraw/zinc/93/43/69/726934369.db2.gz ZVPUCYVOZZHWLC-UHFFFAOYSA-N -1 3 328.240 2.926 20 5 EFBDHM Cc1c([N+](=O)[O-])cc(C(=O)Nc2cc(F)ccc2[O-])cc1[N+](=O)[O-] ZINC000174890981 729114305 /nfs/dbraw/zinc/11/43/05/729114305.db2.gz VLLOSOKNVIEBLN-UHFFFAOYSA-N -1 3 335.247 2.908 20 5 EFBDHM C[C@H]1c2ccccc2CCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820827426 945562996 /nfs/dbraw/zinc/56/29/96/945562996.db2.gz TYNZKOWCNKQWJZ-NSHDSACASA-N -1 3 336.355 2.899 20 5 EFBDHM C[C@H]1c2ccccc2CCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820827426 945563003 /nfs/dbraw/zinc/56/30/03/945563003.db2.gz TYNZKOWCNKQWJZ-NSHDSACASA-N -1 3 336.355 2.899 20 5 EFBDHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000824993050 947029956 /nfs/dbraw/zinc/02/99/56/947029956.db2.gz OXXNXLOETZZKOX-KGYLQXTDSA-N -1 3 328.376 2.790 20 5 EFBDHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000824993050 947029961 /nfs/dbraw/zinc/02/99/61/947029961.db2.gz OXXNXLOETZZKOX-KGYLQXTDSA-N -1 3 328.376 2.790 20 5 EFBDHM COCC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccco1 ZINC000826155245 947488998 /nfs/dbraw/zinc/48/89/98/947488998.db2.gz KLHSYLVNLOZONY-CYBMUJFWSA-N -1 3 344.331 2.558 20 5 EFBDHM COCC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccco1 ZINC000826155245 947489006 /nfs/dbraw/zinc/48/90/06/947489006.db2.gz KLHSYLVNLOZONY-CYBMUJFWSA-N -1 3 344.331 2.558 20 5 EFBDHM CC[C@@H](C(=O)[O-])N(C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162335425 949390596 /nfs/dbraw/zinc/39/05/96/949390596.db2.gz RQLOBSFWMXPJFZ-JTQLQIEISA-N -1 3 331.166 2.652 20 5 EFBDHM O=C([O-])C1(NCc2c(Br)cccc2[N+](=O)[O-])CCCC1 ZINC001594881770 954431224 /nfs/dbraw/zinc/43/12/24/954431224.db2.gz DPQQTZBWOIQSTR-UHFFFAOYSA-N -1 3 343.177 2.844 20 5 EFBDHM CC(C)[C@H](NCc1c(Br)cccc1[N+](=O)[O-])C(=O)[O-] ZINC001588960688 962617207 /nfs/dbraw/zinc/61/72/07/962617207.db2.gz RSPKLPSRIPRZLD-NSHDSACASA-N -1 3 331.166 2.556 20 5 EFBDHM CC(C)O[C@H]1C[C@@H](NCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1(C)C ZINC001591696356 975533628 /nfs/dbraw/zinc/53/36/28/975533628.db2.gz RLCCTJIMIQSPBA-CABCVRRESA-N -1 3 336.388 2.975 20 5 EFBDHM C[C@](CC(=O)[O-])(NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC001592330275 977765644 /nfs/dbraw/zinc/76/56/44/977765644.db2.gz SGNZLWNCSPCZPC-QGZVFWFLSA-N -1 3 345.355 2.983 20 5 EFBDHM O=C([O-])C1=CC[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000853038121 979595574 /nfs/dbraw/zinc/59/55/74/979595574.db2.gz YJKQXPIUVCCBSB-LBPRGKRZSA-N -1 3 345.380 2.981 20 5 EFBDHM O=C([O-])C1=CC[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000853038119 979595795 /nfs/dbraw/zinc/59/57/95/979595795.db2.gz YJKQXPIUVCCBSB-GFCCVEGCSA-N -1 3 345.380 2.981 20 5 EFBDHM O=C([O-])C1=CC[C@@H](NCc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000901733574 980470591 /nfs/dbraw/zinc/47/05/91/980470591.db2.gz SPIDNSCNTWMAON-SSDOTTSWSA-N -1 3 347.190 2.682 20 5 EFBDHM CC[C@H](C)[C@H](NCc1c(Br)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000903702274 981016106 /nfs/dbraw/zinc/01/61/06/981016106.db2.gz SQGUMNJSJLPLFL-UFBFGSQYSA-N -1 3 345.193 2.946 20 5 EFBDHM CCc1[nH]c(CN(C)CCc2cccc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC001597380204 987570497 /nfs/dbraw/zinc/57/04/97/987570497.db2.gz AIZCBJNMNPVKTC-UHFFFAOYSA-N -1 3 331.372 2.858 20 5 EFBDHM COc1cc(CN2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)c([N+](=O)[O-])cc1F ZINC001599408150 997368488 /nfs/dbraw/zinc/36/84/88/997368488.db2.gz JXXUEAZTBOVYMR-ZBFHGGJFSA-N -1 3 338.335 2.572 20 5 EFBDHM COC[C@](C)(CC(=O)[O-])NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001599149517 998271496 /nfs/dbraw/zinc/27/14/96/998271496.db2.gz ILRCYEQSWKJIHH-KRWDZBQOSA-N -1 3 348.355 2.824 20 5 EFBDHM C[C@H]1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)c2ccccc21 ZINC001576366691 1089150198 /nfs/dbraw/zinc/15/01/98/1089150198.db2.gz TYNSKQJNYFPMMP-VIFPVBQESA-N -1 3 337.343 2.612 20 5 EFBDHM C[C@H]1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)c2ccccc21 ZINC001576366691 1089150208 /nfs/dbraw/zinc/15/02/08/1089150208.db2.gz TYNSKQJNYFPMMP-VIFPVBQESA-N -1 3 337.343 2.612 20 5 EFBDHM Cc1cc(-c2nnn[n-]2)cc(Oc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC001580620419 1090970395 /nfs/dbraw/zinc/97/03/95/1090970395.db2.gz ZHKXCESCJPYQDG-UHFFFAOYSA-N -1 3 332.707 2.924 20 5 EFBDHM Cc1cc(-c2nn[n-]n2)cc(Oc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC001580620419 1090970397 /nfs/dbraw/zinc/97/03/97/1090970397.db2.gz ZHKXCESCJPYQDG-UHFFFAOYSA-N -1 3 332.707 2.924 20 5 EFBDHM Cc1cc(F)c(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c(F)c1 ZINC001580935798 1091046799 /nfs/dbraw/zinc/04/67/99/1091046799.db2.gz RLTWIANOXTUHMR-UHFFFAOYSA-N -1 3 346.297 2.974 20 5 EFBDHM Cc1cc(F)c(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c(F)c1 ZINC001580935798 1091046804 /nfs/dbraw/zinc/04/68/04/1091046804.db2.gz RLTWIANOXTUHMR-UHFFFAOYSA-N -1 3 346.297 2.974 20 5 EFBDHM Cc1cc(NC[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001581021715 1091061487 /nfs/dbraw/zinc/06/14/87/1091061487.db2.gz RLEJRDSCNYWDJL-KLHWPWHYSA-N -1 3 328.376 2.787 20 5 EFBDHM Cc1cc(NC[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001581021715 1091061494 /nfs/dbraw/zinc/06/14/94/1091061494.db2.gz RLEJRDSCNYWDJL-KLHWPWHYSA-N -1 3 328.376 2.787 20 5 EFBDHM O=[N+]([O-])c1ccc(OCCc2ccc(-c3nnn[n-]3)cc2)cc1F ZINC001582804286 1091668105 /nfs/dbraw/zinc/66/81/05/1091668105.db2.gz QAWANYQLDLGQHT-UHFFFAOYSA-N -1 3 329.291 2.536 20 5 EFBDHM O=[N+]([O-])c1ccc(OCCc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC001582804286 1091668111 /nfs/dbraw/zinc/66/81/11/1091668111.db2.gz QAWANYQLDLGQHT-UHFFFAOYSA-N -1 3 329.291 2.536 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCC1C[C@H]2CC[C@@H](C1)S2 ZINC001582803349 1091669269 /nfs/dbraw/zinc/66/92/69/1091669269.db2.gz DHGKQUPUXRKTFN-CLYYMRHHSA-N -1 3 346.416 2.861 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCC1C[C@H]2CC[C@@H](C1)S2 ZINC001582803349 1091669273 /nfs/dbraw/zinc/66/92/73/1091669273.db2.gz DHGKQUPUXRKTFN-CLYYMRHHSA-N -1 3 346.416 2.861 20 5 EFBDHM C/C(=C\C(C)(C)C)C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001588767863 1092985155 /nfs/dbraw/zinc/98/51/55/1092985155.db2.gz HDUQWGBGMBRSSU-CSKARUKUSA-N -1 3 345.359 2.811 20 5 EFBDHM C/C(=C\C(C)(C)C)C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001588767863 1092985163 /nfs/dbraw/zinc/98/51/63/1092985163.db2.gz HDUQWGBGMBRSSU-CSKARUKUSA-N -1 3 345.359 2.811 20 5 EFBDHM CC(=O)c1ccccc1OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001588922845 1093012709 /nfs/dbraw/zinc/01/27/09/1093012709.db2.gz JADOVKBKRPAWTH-UHFFFAOYSA-N -1 3 339.311 2.557 20 5 EFBDHM CC(=O)c1ccccc1OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001588922845 1093012717 /nfs/dbraw/zinc/01/27/17/1093012717.db2.gz JADOVKBKRPAWTH-UHFFFAOYSA-N -1 3 339.311 2.557 20 5 EFBDHM CC(C)(C)O[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001589197649 1093046382 /nfs/dbraw/zinc/04/63/82/1093046382.db2.gz IVMLEJLUSFCOJV-PHIMTYICSA-N -1 3 332.364 2.533 20 5 EFBDHM CC(C)(CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C1=CCCC1 ZINC001589292801 1093066582 /nfs/dbraw/zinc/06/65/82/1093066582.db2.gz UNAHCTNNTYFKOT-UHFFFAOYSA-N -1 3 329.364 2.718 20 5 EFBDHM CC(C)(CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C1=CCCC1 ZINC001589292801 1093066591 /nfs/dbraw/zinc/06/65/91/1093066591.db2.gz UNAHCTNNTYFKOT-UHFFFAOYSA-N -1 3 329.364 2.718 20 5 EFBDHM CC(C)(CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1cccnc1 ZINC001589293052 1093066820 /nfs/dbraw/zinc/06/68/20/1093066820.db2.gz OCBVEKSCHPFELF-UHFFFAOYSA-N -1 3 339.359 2.560 20 5 EFBDHM CC(C)(CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1cccnc1 ZINC001589293052 1093066831 /nfs/dbraw/zinc/06/68/31/1093066831.db2.gz OCBVEKSCHPFELF-UHFFFAOYSA-N -1 3 339.359 2.560 20 5 EFBDHM CC(C)(CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1ccncc1 ZINC001589293211 1093066889 /nfs/dbraw/zinc/06/68/89/1093066889.db2.gz RIIXHGGJEHJLLW-UHFFFAOYSA-N -1 3 339.359 2.560 20 5 EFBDHM CC(C)(CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-])CC(F)(F)F ZINC001589292462 1093067756 /nfs/dbraw/zinc/06/77/56/1093067756.db2.gz NYJFLPPPDPPVFD-UHFFFAOYSA-N -1 3 345.285 2.560 20 5 EFBDHM CC(C)(CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-])CC(F)(F)F ZINC001589292462 1093067766 /nfs/dbraw/zinc/06/77/66/1093067766.db2.gz NYJFLPPPDPPVFD-UHFFFAOYSA-N -1 3 345.285 2.560 20 5 EFBDHM CC(C)[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@H]1C(C)C ZINC001589517207 1093101164 /nfs/dbraw/zinc/10/11/64/1093101164.db2.gz LPPIZDRCQNWIFY-HIFRSBDPSA-N -1 3 330.392 2.892 20 5 EFBDHM CC(C)[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@H]1C(C)C ZINC001589517207 1093101170 /nfs/dbraw/zinc/10/11/70/1093101170.db2.gz LPPIZDRCQNWIFY-HIFRSBDPSA-N -1 3 330.392 2.892 20 5 EFBDHM CC(C)C[C@H]1OCCC[C@@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589574575 1093110182 /nfs/dbraw/zinc/11/01/82/1093110182.db2.gz ZCFCHOBMCSHYPZ-DZGCQCFKSA-N -1 3 346.391 2.781 20 5 EFBDHM CC(C)C[C@H]1OCCC[C@@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589574575 1093110189 /nfs/dbraw/zinc/11/01/89/1093110189.db2.gz ZCFCHOBMCSHYPZ-DZGCQCFKSA-N -1 3 346.391 2.781 20 5 EFBDHM CC(C)C[C@@H]1OCCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001589573966 1093110797 /nfs/dbraw/zinc/11/07/97/1093110797.db2.gz PVBPNOFHUKFMCR-GJZGRUSLSA-N -1 3 346.391 2.781 20 5 EFBDHM CC(C)C[C@@H]1OCCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001589573966 1093110798 /nfs/dbraw/zinc/11/07/98/1093110798.db2.gz PVBPNOFHUKFMCR-GJZGRUSLSA-N -1 3 346.391 2.781 20 5 EFBDHM CC(C)C[C@H]1OCCC[C@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589574577 1093110819 /nfs/dbraw/zinc/11/08/19/1093110819.db2.gz ZCFCHOBMCSHYPZ-UKRRQHHQSA-N -1 3 346.391 2.781 20 5 EFBDHM CC(C)C[C@H]1OCCC[C@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589574577 1093110820 /nfs/dbraw/zinc/11/08/20/1093110820.db2.gz ZCFCHOBMCSHYPZ-UKRRQHHQSA-N -1 3 346.391 2.781 20 5 EFBDHM CC(C)COCCSCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589647232 1093119975 /nfs/dbraw/zinc/11/99/75/1093119975.db2.gz HDPVVLAFMSEJSO-UHFFFAOYSA-N -1 3 337.405 2.681 20 5 EFBDHM CC(C)COCCSCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589647232 1093119979 /nfs/dbraw/zinc/11/99/79/1093119979.db2.gz HDPVVLAFMSEJSO-UHFFFAOYSA-N -1 3 337.405 2.681 20 5 EFBDHM CC(C)Oc1ccc(Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC001589758290 1093134890 /nfs/dbraw/zinc/13/48/90/1093134890.db2.gz YBQAVUNXZONUDQ-UHFFFAOYSA-N -1 3 341.331 2.701 20 5 EFBDHM CC(C)Oc1ccc(Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC001589758290 1093134894 /nfs/dbraw/zinc/13/48/94/1093134894.db2.gz YBQAVUNXZONUDQ-UHFFFAOYSA-N -1 3 341.331 2.701 20 5 EFBDHM CC(C)c1c[nH]c(Sc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])n1 ZINC001589765423 1093139729 /nfs/dbraw/zinc/13/97/29/1093139729.db2.gz SRJKBNNTXIESBI-UHFFFAOYSA-N -1 3 349.351 2.912 20 5 EFBDHM C[C@H](CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-])c1nccs1 ZINC001589876530 1093162327 /nfs/dbraw/zinc/16/23/27/1093162327.db2.gz YQOZCZSNGXFFIX-SSDOTTSWSA-N -1 3 349.351 2.586 20 5 EFBDHM C[C@H](CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-])c1nccs1 ZINC001589876530 1093162329 /nfs/dbraw/zinc/16/23/29/1093162329.db2.gz YQOZCZSNGXFFIX-SSDOTTSWSA-N -1 3 349.351 2.586 20 5 EFBDHM C[C@@H](CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-])c1nccs1 ZINC001589876531 1093162679 /nfs/dbraw/zinc/16/26/79/1093162679.db2.gz YQOZCZSNGXFFIX-ZETCQYMHSA-N -1 3 349.351 2.586 20 5 EFBDHM C[C@@H](CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-])c1nccs1 ZINC001589876531 1093162682 /nfs/dbraw/zinc/16/26/82/1093162682.db2.gz YQOZCZSNGXFFIX-ZETCQYMHSA-N -1 3 349.351 2.586 20 5 EFBDHM C[C@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])Oc1ccccc1 ZINC001589875405 1093163311 /nfs/dbraw/zinc/16/33/11/1093163311.db2.gz FJZRYPYGWKAZIW-LLVKDONJSA-N -1 3 340.343 2.654 20 5 EFBDHM C[C@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])Oc1ccccc1 ZINC001589875405 1093163312 /nfs/dbraw/zinc/16/33/12/1093163312.db2.gz FJZRYPYGWKAZIW-LLVKDONJSA-N -1 3 340.343 2.654 20 5 EFBDHM C[C@H](OC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1[N+](=O)[O-] ZINC001590010217 1093220138 /nfs/dbraw/zinc/22/01/38/1093220138.db2.gz HHDISNRAAFVCPQ-JTQLQIEISA-N -1 3 339.311 2.693 20 5 EFBDHM C[C@H](OC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1[N+](=O)[O-] ZINC001590010217 1093220144 /nfs/dbraw/zinc/22/01/44/1093220144.db2.gz HHDISNRAAFVCPQ-JTQLQIEISA-N -1 3 339.311 2.693 20 5 EFBDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)c1ncc([N+](=O)[O-])cc1F ZINC001590047076 1093240977 /nfs/dbraw/zinc/24/09/77/1093240977.db2.gz ONJTUTPSRKSDMO-SECBINFHSA-N -1 3 343.322 2.506 20 5 EFBDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)c1ncc([N+](=O)[O-])cc1F ZINC001590047076 1093240981 /nfs/dbraw/zinc/24/09/81/1093240981.db2.gz ONJTUTPSRKSDMO-SECBINFHSA-N -1 3 343.322 2.506 20 5 EFBDHM CC1(C)C[C@@H](CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C(C)(C)O1 ZINC001590080446 1093254151 /nfs/dbraw/zinc/25/41/51/1093254151.db2.gz MROHZVUKDVSOJN-JTQLQIEISA-N -1 3 346.391 2.781 20 5 EFBDHM CC1(C)C[C@@H](Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C(C)(C)O1 ZINC001590083518 1093254663 /nfs/dbraw/zinc/25/46/63/1093254663.db2.gz HMJPCYRKKBDUOJ-LLVKDONJSA-N -1 3 332.364 2.533 20 5 EFBDHM CC1(C)C[C@@H](Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C(C)(C)O1 ZINC001590083518 1093254671 /nfs/dbraw/zinc/25/46/71/1093254671.db2.gz HMJPCYRKKBDUOJ-LLVKDONJSA-N -1 3 332.364 2.533 20 5 EFBDHM CC1(C)C[C@@H](Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CCS1 ZINC001590083268 1093255596 /nfs/dbraw/zinc/25/55/96/1093255596.db2.gz CLIXYQHDJOKKTP-JTQLQIEISA-N -1 3 334.405 2.861 20 5 EFBDHM CC1(C)CCC(O)(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC1 ZINC001590090140 1093261286 /nfs/dbraw/zinc/26/12/86/1093261286.db2.gz DNXCUCRMFRWESS-UHFFFAOYSA-N -1 3 346.391 2.518 20 5 EFBDHM CC1(C)CCC(O)(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CC1 ZINC001590090140 1093261295 /nfs/dbraw/zinc/26/12/95/1093261295.db2.gz DNXCUCRMFRWESS-UHFFFAOYSA-N -1 3 346.391 2.518 20 5 EFBDHM CC1(C)CCC[C@](O)(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001590095611 1093266281 /nfs/dbraw/zinc/26/62/81/1093266281.db2.gz BFBVAFCXFYUUEO-MRXNPFEDSA-N -1 3 346.391 2.518 20 5 EFBDHM CC1(C2CC2)CCN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001590122458 1093276630 /nfs/dbraw/zinc/27/66/30/1093276630.db2.gz VTEVEVQPMYSYKI-UHFFFAOYSA-N -1 3 346.366 2.931 20 5 EFBDHM CC1(C2CC2)CCN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001590122458 1093276634 /nfs/dbraw/zinc/27/66/34/1093276634.db2.gz VTEVEVQPMYSYKI-UHFFFAOYSA-N -1 3 346.366 2.931 20 5 EFBDHM CC1(CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCCCCC1 ZINC001590134589 1093281641 /nfs/dbraw/zinc/28/16/41/1093281641.db2.gz AVJANJLRZAFRNZ-UHFFFAOYSA-N -1 3 331.380 2.942 20 5 EFBDHM CC1(CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCCCCC1 ZINC001590134589 1093281646 /nfs/dbraw/zinc/28/16/46/1093281646.db2.gz AVJANJLRZAFRNZ-UHFFFAOYSA-N -1 3 331.380 2.942 20 5 EFBDHM C[C@H]1[C@H](C(F)(F)F)CCN1c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001590166664 1093294056 /nfs/dbraw/zinc/29/40/56/1093294056.db2.gz FSWJXWXJZKKAGG-IONNQARKSA-N -1 3 342.281 2.552 20 5 EFBDHM C[C@H]1[C@H](C(F)(F)F)CCN1c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001590166664 1093294064 /nfs/dbraw/zinc/29/40/64/1093294064.db2.gz FSWJXWXJZKKAGG-IONNQARKSA-N -1 3 342.281 2.552 20 5 EFBDHM C[C@H]1CCCC[C@@H]1OCCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590254470 1093342781 /nfs/dbraw/zinc/34/27/81/1093342781.db2.gz MOORWEFYTHRFAD-FZMZJTMJSA-N -1 3 346.391 2.782 20 5 EFBDHM C[C@H]1CCCC[C@@H]1OCCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590254470 1093342787 /nfs/dbraw/zinc/34/27/87/1093342787.db2.gz MOORWEFYTHRFAD-FZMZJTMJSA-N -1 3 346.391 2.782 20 5 EFBDHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC001590315582 1093372782 /nfs/dbraw/zinc/37/27/82/1093372782.db2.gz XMFKRDYOKMGHGI-BZNIZROVSA-N -1 3 336.355 2.972 20 5 EFBDHM C[C@H]1CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC001590315849 1093372799 /nfs/dbraw/zinc/37/27/99/1093372799.db2.gz XMFKRDYOKMGHGI-ZBEGNZNMSA-N -1 3 336.355 2.972 20 5 EFBDHM CC[C@H](CC(F)(F)F)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590422853 1093416026 /nfs/dbraw/zinc/41/60/26/1093416026.db2.gz SZGJEFVMQDYIEX-SSDOTTSWSA-N -1 3 330.270 2.918 20 5 EFBDHM CC[C@H](CC(F)(F)F)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590422853 1093416032 /nfs/dbraw/zinc/41/60/32/1093416032.db2.gz SZGJEFVMQDYIEX-SSDOTTSWSA-N -1 3 330.270 2.918 20 5 EFBDHM CCC(F)(F)C(C)(C)CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590451240 1093426865 /nfs/dbraw/zinc/42/68/65/1093426865.db2.gz DHFQSPLSFPXWIZ-UHFFFAOYSA-N -1 3 341.322 2.653 20 5 EFBDHM CCC(F)(F)C(C)(C)CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590451240 1093426871 /nfs/dbraw/zinc/42/68/71/1093426871.db2.gz DHFQSPLSFPXWIZ-UHFFFAOYSA-N -1 3 341.322 2.653 20 5 EFBDHM CCC(O)(CC)C(C)(C)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590475697 1093445451 /nfs/dbraw/zinc/44/54/51/1093445451.db2.gz XZPTUAYXMJKXDH-UHFFFAOYSA-N -1 3 348.407 2.764 20 5 EFBDHM CCC(O)(CC)C(C)(C)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590475697 1093445454 /nfs/dbraw/zinc/44/54/54/1093445454.db2.gz XZPTUAYXMJKXDH-UHFFFAOYSA-N -1 3 348.407 2.764 20 5 EFBDHM CCC1(CC)CCCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001590494886 1093453793 /nfs/dbraw/zinc/45/37/93/1093453793.db2.gz VXPBKXCIGISMHT-UHFFFAOYSA-N -1 3 345.407 2.967 20 5 EFBDHM CCC1(CC)CCCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001590494886 1093453797 /nfs/dbraw/zinc/45/37/97/1093453797.db2.gz VXPBKXCIGISMHT-UHFFFAOYSA-N -1 3 345.407 2.967 20 5 EFBDHM CC[C@H]1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590512307 1093466995 /nfs/dbraw/zinc/46/69/95/1093466995.db2.gz QEECUZFYPUOEEH-WDEREUQCSA-N -1 3 331.380 2.798 20 5 EFBDHM CC[C@H]1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590512307 1093467001 /nfs/dbraw/zinc/46/70/01/1093467001.db2.gz QEECUZFYPUOEEH-WDEREUQCSA-N -1 3 331.380 2.798 20 5 EFBDHM CC[C@@H]1CCCN1c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001590514115 1093469046 /nfs/dbraw/zinc/46/90/46/1093469046.db2.gz QDJZXGVXPGWHAW-SNVBAGLBSA-N -1 3 339.359 2.702 20 5 EFBDHM CC[C@@H]1CCCN1c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001590514115 1093469051 /nfs/dbraw/zinc/46/90/51/1093469051.db2.gz QDJZXGVXPGWHAW-SNVBAGLBSA-N -1 3 339.359 2.702 20 5 EFBDHM CCCC(C)(C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590542131 1093479107 /nfs/dbraw/zinc/47/91/07/1093479107.db2.gz USIFLDKKFPUIGX-UHFFFAOYSA-N -1 3 333.348 2.644 20 5 EFBDHM CCCC(C)(C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590542131 1093479113 /nfs/dbraw/zinc/47/91/13/1093479113.db2.gz USIFLDKKFPUIGX-UHFFFAOYSA-N -1 3 333.348 2.644 20 5 EFBDHM CCC[C@@]1(C)CCCN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001590563290 1093488514 /nfs/dbraw/zinc/48/85/14/1093488514.db2.gz DCLYWSVSLBWKKW-INIZCTEOSA-N -1 3 345.407 2.764 20 5 EFBDHM CCC[C@@]1(C)CCCN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001590563290 1093488524 /nfs/dbraw/zinc/48/85/24/1093488524.db2.gz DCLYWSVSLBWKKW-INIZCTEOSA-N -1 3 345.407 2.764 20 5 EFBDHM CCC[C@@]1(C)CCCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590563565 1093492044 /nfs/dbraw/zinc/49/20/44/1093492044.db2.gz JIULUPZIMHBEND-HNNXBMFYSA-N -1 3 331.380 2.577 20 5 EFBDHM CCC[C@@]1(C)CCCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590563565 1093492047 /nfs/dbraw/zinc/49/20/47/1093492047.db2.gz JIULUPZIMHBEND-HNNXBMFYSA-N -1 3 331.380 2.577 20 5 EFBDHM CCCCCCC(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590589768 1093503504 /nfs/dbraw/zinc/50/35/04/1093503504.db2.gz JNOMZDRNJQUINI-UHFFFAOYSA-N -1 3 333.348 2.789 20 5 EFBDHM CCCCCCC(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590589768 1093503508 /nfs/dbraw/zinc/50/35/08/1093503508.db2.gz JNOMZDRNJQUINI-UHFFFAOYSA-N -1 3 333.348 2.789 20 5 EFBDHM CCN(CC1CC1)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001590690297 1093549531 /nfs/dbraw/zinc/54/95/31/1093549531.db2.gz KGUYNVKMXDXATB-UHFFFAOYSA-N -1 3 339.359 2.559 20 5 EFBDHM CCN(CC1CC1)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001590690297 1093549539 /nfs/dbraw/zinc/54/95/39/1093549539.db2.gz KGUYNVKMXDXATB-UHFFFAOYSA-N -1 3 339.359 2.559 20 5 EFBDHM CCN(CCC(F)(F)F)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590692052 1093551231 /nfs/dbraw/zinc/55/12/31/1093551231.db2.gz FOJXAFIRTBHUHW-UHFFFAOYSA-N -1 3 330.270 2.554 20 5 EFBDHM CCOc1cc(Oc2ccc(-c3nnn[n-]3)c(C)n2)ccc1[N+](=O)[O-] ZINC001590828089 1093585918 /nfs/dbraw/zinc/58/59/18/1093585918.db2.gz GIYIXOSCVKJFKU-UHFFFAOYSA-N -1 3 342.315 2.669 20 5 EFBDHM CCOc1cc(Oc2ccc(-c3nn[n-]n3)c(C)n2)ccc1[N+](=O)[O-] ZINC001590828089 1093585924 /nfs/dbraw/zinc/58/59/24/1093585924.db2.gz GIYIXOSCVKJFKU-UHFFFAOYSA-N -1 3 342.315 2.669 20 5 EFBDHM CCOc1ccc(Sc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC001590839601 1093591622 /nfs/dbraw/zinc/59/16/22/1093591622.db2.gz DMSBFDXEOKHQQW-UHFFFAOYSA-N -1 3 344.356 2.720 20 5 EFBDHM CCS[C@@H]1CCC[C@H]1Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590850217 1093597322 /nfs/dbraw/zinc/59/73/22/1093597322.db2.gz HVAQOTHSABFGJE-DGCLKSJQSA-N -1 3 334.405 2.861 20 5 EFBDHM CCSC1(CNc2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001590851647 1093600080 /nfs/dbraw/zinc/60/00/80/1093600080.db2.gz ZQYQPEDSXYWTTA-UHFFFAOYSA-N -1 3 334.405 2.781 20 5 EFBDHM CCSC1(CNc2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001590851647 1093600081 /nfs/dbraw/zinc/60/00/81/1093600081.db2.gz ZQYQPEDSXYWTTA-UHFFFAOYSA-N -1 3 334.405 2.781 20 5 EFBDHM CCc1csc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)n1 ZINC001590902744 1093628090 /nfs/dbraw/zinc/62/80/90/1093628090.db2.gz PUPCAVGKPIFQBL-MRVPVSSYSA-N -1 3 345.388 2.967 20 5 EFBDHM CCc1csc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)n1 ZINC001590902744 1093628094 /nfs/dbraw/zinc/62/80/94/1093628094.db2.gz PUPCAVGKPIFQBL-MRVPVSSYSA-N -1 3 345.388 2.967 20 5 EFBDHM CN(CCc1ccccc1[N+](=O)[O-])c1cc(F)ccc1-c1nnn[n-]1 ZINC001591122268 1093664034 /nfs/dbraw/zinc/66/40/34/1093664034.db2.gz IINGUPLNKQVBCJ-UHFFFAOYSA-N -1 3 342.334 2.593 20 5 EFBDHM CN(CCc1ccccc1[N+](=O)[O-])c1cc(F)ccc1-c1nn[n-]n1 ZINC001591122268 1093664037 /nfs/dbraw/zinc/66/40/37/1093664037.db2.gz IINGUPLNKQVBCJ-UHFFFAOYSA-N -1 3 342.334 2.593 20 5 EFBDHM CO[C@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1CCCCC1 ZINC001591330972 1093695220 /nfs/dbraw/zinc/69/52/20/1093695220.db2.gz QUGYELRAHKNEIY-CQSZACIVSA-N -1 3 346.391 2.782 20 5 EFBDHM CO[C@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C1CCCCC1 ZINC001591330972 1093695223 /nfs/dbraw/zinc/69/52/23/1093695223.db2.gz QUGYELRAHKNEIY-CQSZACIVSA-N -1 3 346.391 2.782 20 5 EFBDHM CO[C@@]1(C)C[C@H](Nc2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)C1(C)C ZINC001591338095 1093697153 /nfs/dbraw/zinc/69/71/53/1093697153.db2.gz BVXFCRFQEBPDOS-BBRMVZONSA-N -1 3 346.391 2.699 20 5 EFBDHM CO[C@@]1(C)C[C@H](Nc2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)C1(C)C ZINC001591338095 1093697156 /nfs/dbraw/zinc/69/71/56/1093697156.db2.gz BVXFCRFQEBPDOS-BBRMVZONSA-N -1 3 346.391 2.699 20 5 EFBDHM COc1cc(OCc2cccc([N+](=O)[O-])c2C)cc(-c2nnn[n-]2)c1 ZINC001591552950 1093765260 /nfs/dbraw/zinc/76/52/60/1093765260.db2.gz MYIQABAIPGBXFP-UHFFFAOYSA-N -1 3 341.327 2.671 20 5 EFBDHM COc1cc(OCc2cccc([N+](=O)[O-])c2C)cc(-c2nn[n-]n2)c1 ZINC001591552950 1093765261 /nfs/dbraw/zinc/76/52/61/1093765261.db2.gz MYIQABAIPGBXFP-UHFFFAOYSA-N -1 3 341.327 2.671 20 5 EFBDHM COc1cc(Oc2ncc(Cl)cc2[N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001591555521 1093766569 /nfs/dbraw/zinc/76/65/69/1093766569.db2.gz WNLDOGZWAHGQCB-UHFFFAOYSA-N -1 3 348.706 2.624 20 5 EFBDHM COc1cc(Oc2ncc(Cl)cc2[N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001591555521 1093766576 /nfs/dbraw/zinc/76/65/76/1093766576.db2.gz WNLDOGZWAHGQCB-UHFFFAOYSA-N -1 3 348.706 2.624 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1COc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001591555154 1093767623 /nfs/dbraw/zinc/76/76/23/1093767623.db2.gz RTTXQBBYZFWSJJ-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1COc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001591555154 1093767625 /nfs/dbraw/zinc/76/76/25/1093767625.db2.gz RTTXQBBYZFWSJJ-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1cc(Oc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)ccc1F ZINC001591554779 1093768015 /nfs/dbraw/zinc/76/80/15/1093768015.db2.gz KKCANASZQGPCTP-UHFFFAOYSA-N -1 3 331.263 2.715 20 5 EFBDHM COc1cc(Oc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)ccc1F ZINC001591554779 1093768021 /nfs/dbraw/zinc/76/80/21/1093768021.db2.gz KKCANASZQGPCTP-UHFFFAOYSA-N -1 3 331.263 2.715 20 5 EFBDHM COc1ccc(CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC001591601315 1093789478 /nfs/dbraw/zinc/78/94/78/1093789478.db2.gz KFGLJDJTNCHMED-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM COc1ccc(CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC001591601315 1093789482 /nfs/dbraw/zinc/78/94/82/1093789482.db2.gz KFGLJDJTNCHMED-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM COc1ccc([N+](=O)[O-])cc1O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001591623703 1093803471 /nfs/dbraw/zinc/80/34/71/1093803471.db2.gz UBCURZRFYGKDJU-JTQLQIEISA-N -1 3 341.327 2.924 20 5 EFBDHM COc1ccc([N+](=O)[O-])cc1O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001591623703 1093803476 /nfs/dbraw/zinc/80/34/76/1093803476.db2.gz UBCURZRFYGKDJU-JTQLQIEISA-N -1 3 341.327 2.924 20 5 EFBDHM COc1cccc(Sc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)c1 ZINC001591642428 1093813105 /nfs/dbraw/zinc/81/31/05/1093813105.db2.gz RRINSISVMXGKPI-UHFFFAOYSA-N -1 3 344.356 2.517 20 5 EFBDHM COc1cccc(Sc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)c1 ZINC001591642428 1093813111 /nfs/dbraw/zinc/81/31/11/1093813111.db2.gz RRINSISVMXGKPI-UHFFFAOYSA-N -1 3 344.356 2.517 20 5 EFBDHM COc1cccc([N+](=O)[O-])c1NCc1cc(-c2nnn[n-]2)ccc1F ZINC001591644340 1093814397 /nfs/dbraw/zinc/81/43/97/1093814397.db2.gz YIKOQTNNFKLCQJ-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM COc1cccc([N+](=O)[O-])c1NCc1cc(-c2nn[n-]n2)ccc1F ZINC001591644340 1093814399 /nfs/dbraw/zinc/81/43/99/1093814399.db2.gz YIKOQTNNFKLCQJ-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM CS[C@H]1CC[C@@H](Nc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001591689042 1093823894 /nfs/dbraw/zinc/82/38/94/1093823894.db2.gz BIJDDSYJXCKKGH-SFYZADRCSA-N -1 3 338.368 2.610 20 5 EFBDHM CS[C@H]1CC[C@@H](Nc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001591689042 1093823900 /nfs/dbraw/zinc/82/39/00/1093823900.db2.gz BIJDDSYJXCKKGH-SFYZADRCSA-N -1 3 338.368 2.610 20 5 EFBDHM C[C@@H](Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])c1cccc(O)c1 ZINC001591730257 1093847396 /nfs/dbraw/zinc/84/73/96/1093847396.db2.gz YLJNMJPQHUGZKY-SECBINFHSA-N -1 3 326.316 2.654 20 5 EFBDHM C[C@@H](Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])c1cccc(O)c1 ZINC001591730257 1093847404 /nfs/dbraw/zinc/84/74/04/1093847404.db2.gz YLJNMJPQHUGZKY-SECBINFHSA-N -1 3 326.316 2.654 20 5 EFBDHM Cc1cc(-c2nnn[n-]2)cc(N[C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC001591858564 1093895573 /nfs/dbraw/zinc/89/55/73/1093895573.db2.gz FJZLXNFPSPQFFQ-JTQLQIEISA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1cc(-c2nn[n-]n2)cc(N[C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC001591858564 1093895578 /nfs/dbraw/zinc/89/55/78/1093895578.db2.gz FJZLXNFPSPQFFQ-JTQLQIEISA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1ccc(OCc2ccc(-c3nnn[n-]3)cc2C)cc1[N+](=O)[O-] ZINC001591866385 1093902069 /nfs/dbraw/zinc/90/20/69/1093902069.db2.gz IJYQCHQUWHEWGE-UHFFFAOYSA-N -1 3 325.328 2.971 20 5 EFBDHM Cc1ccc(OCc2ccc(-c3nn[n-]n3)cc2C)cc1[N+](=O)[O-] ZINC001591866385 1093902072 /nfs/dbraw/zinc/90/20/72/1093902072.db2.gz IJYQCHQUWHEWGE-UHFFFAOYSA-N -1 3 325.328 2.971 20 5 EFBDHM Cc1cc([C@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c(C)o1 ZINC001591940449 1093925449 /nfs/dbraw/zinc/92/54/49/1093925449.db2.gz PPKCTRXOQNOCFA-QMMMGPOBSA-N -1 3 329.320 2.553 20 5 EFBDHM Cc1cc([C@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c(C)o1 ZINC001591940449 1093925455 /nfs/dbraw/zinc/92/54/55/1093925455.db2.gz PPKCTRXOQNOCFA-QMMMGPOBSA-N -1 3 329.320 2.553 20 5 EFBDHM Cc1cc(C)c(OC(=O)c2sccc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001591949414 1093928460 /nfs/dbraw/zinc/92/84/60/1093928460.db2.gz QJPYJCLBMPZNSG-UHFFFAOYSA-N -1 3 345.340 2.672 20 5 EFBDHM Cc1cc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)cc(-c2nnn[n-]2)c1 ZINC001592029298 1093960060 /nfs/dbraw/zinc/96/00/60/1093960060.db2.gz ICPMUSKLPUGPOO-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM Cc1cc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)cc(-c2nn[n-]n2)c1 ZINC001592029298 1093960062 /nfs/dbraw/zinc/96/00/62/1093960062.db2.gz ICPMUSKLPUGPOO-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM Cc1cc(N[C@H]2CCS[C@@H](C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592041154 1093963390 /nfs/dbraw/zinc/96/33/90/1093963390.db2.gz ZNUWBMXIUXYAJW-UWVGGRQHSA-N -1 3 334.405 2.779 20 5 EFBDHM Cc1cc(N[C@H]2CCS[C@@H](C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592041154 1093963392 /nfs/dbraw/zinc/96/33/92/1093963392.db2.gz ZNUWBMXIUXYAJW-UWVGGRQHSA-N -1 3 334.405 2.779 20 5 EFBDHM Cc1cc(NC[C@@](C)(O)CCC(C)C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592038507 1093964242 /nfs/dbraw/zinc/96/42/42/1093964242.db2.gz HMPQMRBFLIRGFO-INIZCTEOSA-N -1 3 348.407 2.682 20 5 EFBDHM Cc1cc(NC[C@@](C)(O)CCC(C)C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592038507 1093964245 /nfs/dbraw/zinc/96/42/45/1093964245.db2.gz HMPQMRBFLIRGFO-INIZCTEOSA-N -1 3 348.407 2.682 20 5 EFBDHM Cc1cc(NCCCc2nccs2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592048563 1093966691 /nfs/dbraw/zinc/96/66/91/1093966691.db2.gz HBSMLRATTRTUGO-UHFFFAOYSA-N -1 3 345.388 2.585 20 5 EFBDHM Cc1cc(NCCCc2nccs2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592048563 1093966694 /nfs/dbraw/zinc/96/66/94/1093966694.db2.gz HBSMLRATTRTUGO-UHFFFAOYSA-N -1 3 345.388 2.585 20 5 EFBDHM Cc1cc(NCCOCCC(C)C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592049614 1093967272 /nfs/dbraw/zinc/96/72/72/1093967272.db2.gz AJYDINVMRWGKTA-UHFFFAOYSA-N -1 3 334.380 2.558 20 5 EFBDHM Cc1cc(NCCOCCC(C)C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592049614 1093967276 /nfs/dbraw/zinc/96/72/76/1093967276.db2.gz AJYDINVMRWGKTA-UHFFFAOYSA-N -1 3 334.380 2.558 20 5 EFBDHM Cc1cc(N[C@H](C)c2cncc(F)c2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592054790 1093968086 /nfs/dbraw/zinc/96/80/86/1093968086.db2.gz JWQSDBBNDGIKGN-SECBINFHSA-N -1 3 343.322 2.791 20 5 EFBDHM Cc1cc(N[C@H](C)c2cncc(F)c2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592054790 1093968089 /nfs/dbraw/zinc/96/80/89/1093968089.db2.gz JWQSDBBNDGIKGN-SECBINFHSA-N -1 3 343.322 2.791 20 5 EFBDHM Cc1cc2c(cc1[N+](=O)[O-])N(Cc1ccc(-c3nnn[n-]3)s1)CC2 ZINC001592071357 1093974828 /nfs/dbraw/zinc/97/48/28/1093974828.db2.gz VHOZRJZJTVYBQB-UHFFFAOYSA-N -1 3 342.384 2.708 20 5 EFBDHM Cc1ccc([C@H](C)Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])s1 ZINC001592136292 1093993413 /nfs/dbraw/zinc/99/34/13/1093993413.db2.gz ZZDIILJURZYIDH-QMMMGPOBSA-N -1 3 331.361 2.713 20 5 EFBDHM Cc1ccc([C@H](C)Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])s1 ZINC001592136292 1093993414 /nfs/dbraw/zinc/99/34/14/1093993414.db2.gz ZZDIILJURZYIDH-QMMMGPOBSA-N -1 3 331.361 2.713 20 5 EFBDHM Cc1ccc(COc2cccc(C)c2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001592171166 1094014522 /nfs/dbraw/zinc/01/45/22/1094014522.db2.gz XSCPJVMKJIFFBF-UHFFFAOYSA-N -1 3 325.328 2.971 20 5 EFBDHM Cc1ccc(COc2cccc(C)c2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001592171166 1094014526 /nfs/dbraw/zinc/01/45/26/1094014526.db2.gz XSCPJVMKJIFFBF-UHFFFAOYSA-N -1 3 325.328 2.971 20 5 EFBDHM Cc1cccc(OCCOc2ccccc2-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592238488 1094044711 /nfs/dbraw/zinc/04/47/11/1094044711.db2.gz YHAVOUMIERONSX-UHFFFAOYSA-N -1 3 341.327 2.541 20 5 EFBDHM Cc1cccc(OCCOc2ccccc2-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592238488 1094044719 /nfs/dbraw/zinc/04/47/19/1094044719.db2.gz YHAVOUMIERONSX-UHFFFAOYSA-N -1 3 341.327 2.541 20 5 EFBDHM Cc1cccc(OCc2cc(-c3nnn[n-]3)ccc2F)c1[N+](=O)[O-] ZINC001592238936 1094045232 /nfs/dbraw/zinc/04/52/32/1094045232.db2.gz UJVWCLGSVNDAFY-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1cccc(OCc2cc(-c3nn[n-]n3)ccc2F)c1[N+](=O)[O-] ZINC001592238936 1094045239 /nfs/dbraw/zinc/04/52/39/1094045239.db2.gz UJVWCLGSVNDAFY-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1sc(NC(=O)c2ccccc2[N+](=O)[O-])c(-c2nnn[n-]2)c1C ZINC001592520681 1094118848 /nfs/dbraw/zinc/11/88/48/1094118848.db2.gz JXVIURXJQITDID-UHFFFAOYSA-N -1 3 344.356 2.706 20 5 EFBDHM Cc1sc(NC(=O)c2ccccc2[N+](=O)[O-])c(-c2nn[n-]n2)c1C ZINC001592520681 1094118849 /nfs/dbraw/zinc/11/88/49/1094118849.db2.gz JXVIURXJQITDID-UHFFFAOYSA-N -1 3 344.356 2.706 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(SCc2ccccc2)c1-c1nnn[n-]1 ZINC001592758466 1094185436 /nfs/dbraw/zinc/18/54/36/1094185436.db2.gz FMFNDQUUAPPEBK-UHFFFAOYSA-N -1 3 328.357 2.649 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(SCc2ccccc2)c1-c1nn[n-]n1 ZINC001592758466 1094185440 /nfs/dbraw/zinc/18/54/40/1094185440.db2.gz FMFNDQUUAPPEBK-UHFFFAOYSA-N -1 3 328.357 2.649 20 5 EFBDHM O=C(C=C1CCCCC1)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592790091 1094186622 /nfs/dbraw/zinc/18/66/22/1094186622.db2.gz GDLFMVXZDMDPRM-UHFFFAOYSA-N -1 3 343.343 2.709 20 5 EFBDHM O=C(C=C1CCCCC1)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592790091 1094186624 /nfs/dbraw/zinc/18/66/24/1094186624.db2.gz GDLFMVXZDMDPRM-UHFFFAOYSA-N -1 3 343.343 2.709 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N(CC1CC1)CC1CCC1 ZINC001593467942 1094312796 /nfs/dbraw/zinc/31/27/96/1094312796.db2.gz GWILNDGWSDIIAZ-UHFFFAOYSA-N -1 3 328.376 2.791 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N(CC1CC1)CC1CCC1 ZINC001593467942 1094312804 /nfs/dbraw/zinc/31/28/04/1094312804.db2.gz GWILNDGWSDIIAZ-UHFFFAOYSA-N -1 3 328.376 2.791 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@H]2CCCC[C@@H]2C1 ZINC001593468890 1094313085 /nfs/dbraw/zinc/31/30/85/1094313085.db2.gz UZTUCXDTFJPLPW-DGCLKSJQSA-N -1 3 328.376 2.791 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@H]2CCCC[C@@H]2C1 ZINC001593468890 1094313094 /nfs/dbraw/zinc/31/30/94/1094313094.db2.gz UZTUCXDTFJPLPW-DGCLKSJQSA-N -1 3 328.376 2.791 20 5 EFBDHM O=[N+]([O-])c1cc(CN2CCCc3cc(-c4nn[n-]n4)ccc32)cs1 ZINC001593472937 1094314160 /nfs/dbraw/zinc/31/41/60/1094314160.db2.gz FAZVJCRAZJMLTA-UHFFFAOYSA-N -1 3 342.384 2.789 20 5 EFBDHM O=[N+]([O-])c1cc(CO)c(Sc2cccc(-c3nnn[n-]3)c2)cc1F ZINC001593473174 1094314229 /nfs/dbraw/zinc/31/42/29/1094314229.db2.gz OOJRHPNOHCQRQX-UHFFFAOYSA-N -1 3 347.331 2.558 20 5 EFBDHM O=[N+]([O-])c1cc(CO)c(Sc2cccc(-c3nn[n-]n3)c2)cc1F ZINC001593473174 1094314241 /nfs/dbraw/zinc/31/42/41/1094314241.db2.gz OOJRHPNOHCQRQX-UHFFFAOYSA-N -1 3 347.331 2.558 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC001593471477 1094314458 /nfs/dbraw/zinc/31/44/58/1094314458.db2.gz ROODEDFYZHVEEV-JFGNBEQYSA-N -1 3 329.364 2.551 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC001593471477 1094314469 /nfs/dbraw/zinc/31/44/69/1094314469.db2.gz ROODEDFYZHVEEV-JFGNBEQYSA-N -1 3 329.364 2.551 20 5 EFBDHM O=[N+]([O-])c1cc(N2CCCC[C@H]2C2CCC2)ccc1-c1nnn[n-]1 ZINC001593471559 1094314502 /nfs/dbraw/zinc/31/45/02/1094314502.db2.gz NEOWVCMWWBFTQM-AWEZNQCLSA-N -1 3 328.376 2.934 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NCCC1=CCCCCC1 ZINC001593471190 1094314592 /nfs/dbraw/zinc/31/45/92/1094314592.db2.gz PFCLHTKNJHXMER-UHFFFAOYSA-N -1 3 329.364 2.862 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NCCC1=CCCCCC1 ZINC001593471190 1094314602 /nfs/dbraw/zinc/31/46/02/1094314602.db2.gz PFCLHTKNJHXMER-UHFFFAOYSA-N -1 3 329.364 2.862 20 5 EFBDHM O=[N+]([O-])c1cc(N2CCS[C@@H]3CCCC[C@@H]32)ccc1-c1nnn[n-]1 ZINC001593470597 1094314666 /nfs/dbraw/zinc/31/46/66/1094314666.db2.gz GDYBVRLGHRNVOW-GXTWGEPZSA-N -1 3 346.416 2.639 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1CC[C@H]2CCCC[C@@H]2C1 ZINC001593469457 1094315173 /nfs/dbraw/zinc/31/51/73/1094315173.db2.gz RLZIDWRKQBRSMA-GHMZBOCLSA-N -1 3 346.366 2.931 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1CC[C@H]2CCCC[C@@H]2C1 ZINC001593469457 1094315183 /nfs/dbraw/zinc/31/51/83/1094315183.db2.gz RLZIDWRKQBRSMA-GHMZBOCLSA-N -1 3 346.366 2.931 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCc1ccc2cccnc2c1 ZINC001593471343 1094315912 /nfs/dbraw/zinc/31/59/12/1094315912.db2.gz SVTAKKXTLNWMLP-UHFFFAOYSA-N -1 3 347.338 2.935 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCc1ccc2cccnc2c1 ZINC001593471343 1094315926 /nfs/dbraw/zinc/31/59/26/1094315926.db2.gz SVTAKKXTLNWMLP-UHFFFAOYSA-N -1 3 347.338 2.935 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Nc1cnn(-c2ccccc2)c1 ZINC001593471684 1094316413 /nfs/dbraw/zinc/31/64/13/1094316413.db2.gz ULGCVAKXHNDXTD-UHFFFAOYSA-N -1 3 348.326 2.704 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Nc1cnn(-c2ccccc2)c1 ZINC001593471684 1094316419 /nfs/dbraw/zinc/31/64/19/1094316419.db2.gz ULGCVAKXHNDXTD-UHFFFAOYSA-N -1 3 348.326 2.704 20 5 EFBDHM O=[N+]([O-])c1cc(C=Cc2ccncc2-c2nnn[n-]2)ccc1Cl ZINC001593473317 1094316884 /nfs/dbraw/zinc/31/68/84/1094316884.db2.gz WMAWIOXLBMESAM-IWQZZHSRSA-N -1 3 328.719 2.994 20 5 EFBDHM O=[N+]([O-])c1cc(C=Cc2ccncc2-c2nn[n-]n2)ccc1Cl ZINC001593473317 1094316894 /nfs/dbraw/zinc/31/68/94/1094316894.db2.gz WMAWIOXLBMESAM-IWQZZHSRSA-N -1 3 328.719 2.994 20 5 EFBDHM O=[N+]([O-])c1cc(NCc2ccc3ccccc3n2)ccc1-c1nnn[n-]1 ZINC001593473436 1094317212 /nfs/dbraw/zinc/31/72/12/1094317212.db2.gz CJAHPHZAMMBOGQ-UHFFFAOYSA-N -1 3 347.338 2.935 20 5 EFBDHM O=[N+]([O-])c1cc(N[C@H](CO)CC2CCCCC2)ccc1-c1nnn[n-]1 ZINC001593473494 1094317433 /nfs/dbraw/zinc/31/74/33/1094317433.db2.gz FOQRDVWDYIQKRV-ZDUSSCGKSA-N -1 3 346.391 2.518 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1Oc1ccc(-n2cccn2)cc1 ZINC001593474332 1094317544 /nfs/dbraw/zinc/31/75/44/1094317544.db2.gz CRFNXZDJJJYJAE-UHFFFAOYSA-N -1 3 349.310 2.753 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1Oc1ccc(-n2cccn2)cc1 ZINC001593474332 1094317552 /nfs/dbraw/zinc/31/75/52/1094317552.db2.gz CRFNXZDJJJYJAE-UHFFFAOYSA-N -1 3 349.310 2.753 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CC2(CC2)c2ccccc21 ZINC001593473820 1094318093 /nfs/dbraw/zinc/31/80/93/1094318093.db2.gz BSESPCBWKSWIKD-UHFFFAOYSA-N -1 3 334.339 2.958 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CC2(CC2)c2ccccc21 ZINC001593473820 1094318098 /nfs/dbraw/zinc/31/80/98/1094318098.db2.gz BSESPCBWKSWIKD-UHFFFAOYSA-N -1 3 334.339 2.958 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CC(C2CCCCC2)C1 ZINC001593473824 1094318337 /nfs/dbraw/zinc/31/83/37/1094318337.db2.gz BTFWCNHOAWAOBM-UHFFFAOYSA-N -1 3 328.376 2.791 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CC(C2CCCCC2)C1 ZINC001593473824 1094318344 /nfs/dbraw/zinc/31/83/44/1094318344.db2.gz BTFWCNHOAWAOBM-UHFFFAOYSA-N -1 3 328.376 2.791 20 5 EFBDHM O=[N+]([O-])c1cc(NCC(F)(F)c2ccccc2)ccc1-c1nnn[n-]1 ZINC001593473705 1094318935 /nfs/dbraw/zinc/31/89/35/1094318935.db2.gz JTNQQXMUCCNDRX-UHFFFAOYSA-N -1 3 346.297 2.979 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1SC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001593473209 1094319039 /nfs/dbraw/zinc/31/90/39/1094319039.db2.gz PYKCDFJVBXPRST-KXUCPTDWSA-N -1 3 332.389 2.698 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1SC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001593473209 1094319044 /nfs/dbraw/zinc/31/90/44/1094319044.db2.gz PYKCDFJVBXPRST-KXUCPTDWSA-N -1 3 332.389 2.698 20 5 EFBDHM O=[N+]([O-])c1ccc(C=Cc2ccc(-c3nnn[n-]3)cn2)cc1Cl ZINC001593475815 1094319620 /nfs/dbraw/zinc/31/96/20/1094319620.db2.gz OSMLLLFWYKFZBQ-DAFODLJHSA-N -1 3 328.719 2.994 20 5 EFBDHM O=[N+]([O-])c1ccc(C=Cc2ccc(-c3nn[n-]n3)cn2)cc1Cl ZINC001593475815 1094319625 /nfs/dbraw/zinc/31/96/25/1094319625.db2.gz OSMLLLFWYKFZBQ-DAFODLJHSA-N -1 3 328.719 2.994 20 5 EFBDHM O=[N+]([O-])c1ccc(CSCc2ccncc2-c2nnn[n-]2)cc1 ZINC001593475439 1094319656 /nfs/dbraw/zinc/31/96/56/1094319656.db2.gz KVGPHDHEXRADHE-UHFFFAOYSA-N -1 3 328.357 2.603 20 5 EFBDHM O=[N+]([O-])c1ccc(CSCc2ccncc2-c2nn[n-]n2)cc1 ZINC001593475439 1094319659 /nfs/dbraw/zinc/31/96/59/1094319659.db2.gz KVGPHDHEXRADHE-UHFFFAOYSA-N -1 3 328.357 2.603 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cn1 ZINC001593477873 1094320803 /nfs/dbraw/zinc/32/08/03/1094320803.db2.gz IJOMZODAROEOML-AWEZNQCLSA-N -1 3 337.343 2.659 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cn1 ZINC001593477873 1094320814 /nfs/dbraw/zinc/32/08/14/1094320814.db2.gz IJOMZODAROEOML-AWEZNQCLSA-N -1 3 337.343 2.659 20 5 EFBDHM O=[N+]([O-])c1ccc(NCCCc2ccccc2F)c(-c2nnn[n-]2)c1 ZINC001593477716 1094321328 /nfs/dbraw/zinc/32/13/28/1094321328.db2.gz AWDGKKDPDGKVRQ-UHFFFAOYSA-N -1 3 342.334 2.959 20 5 EFBDHM O=[N+]([O-])c1ccc(NCCCc2ccccc2F)c(-c2nn[n-]n2)c1 ZINC001593477716 1094321335 /nfs/dbraw/zinc/32/13/35/1094321335.db2.gz AWDGKKDPDGKVRQ-UHFFFAOYSA-N -1 3 342.334 2.959 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NC[C@@H]1CCCC2(CCC2)O1 ZINC001593475452 1094321381 /nfs/dbraw/zinc/32/13/81/1094321381.db2.gz PKPFTEQCNFHWTH-LBPRGKRZSA-N -1 3 344.375 2.679 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NC[C@@H]1CCCC2(CCC2)O1 ZINC001593475452 1094321386 /nfs/dbraw/zinc/32/13/86/1094321386.db2.gz PKPFTEQCNFHWTH-LBPRGKRZSA-N -1 3 344.375 2.679 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC[C@H]1CC12CCSCC2 ZINC001593480104 1094324225 /nfs/dbraw/zinc/32/42/25/1094324225.db2.gz FOMWSXNGJQGIAJ-SNVBAGLBSA-N -1 3 346.416 2.720 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NC[C@H]1CC12CCSCC2 ZINC001593480104 1094324233 /nfs/dbraw/zinc/32/42/33/1094324233.db2.gz FOMWSXNGJQGIAJ-SNVBAGLBSA-N -1 3 346.416 2.720 20 5 EFBDHM O=[N+]([O-])c1ccc2nc(N[C@H]3C=CCCC3)cc(-c3nnn[n-]3)c2c1 ZINC001593480002 1094324486 /nfs/dbraw/zinc/32/44/86/1094324486.db2.gz DEYPXNCODWEIEE-JTQLQIEISA-N -1 3 337.343 2.844 20 5 EFBDHM O=[N+]([O-])c1ccc2nc(N[C@H]3C=CCCC3)cc(-c3nn[n-]n3)c2c1 ZINC001593480002 1094324494 /nfs/dbraw/zinc/32/44/94/1094324494.db2.gz DEYPXNCODWEIEE-JTQLQIEISA-N -1 3 337.343 2.844 20 5 EFBDHM O=[N+]([O-])c1ccc(Nc2cnn(-c3ccccc3)c2)c(-c2nnn[n-]2)c1 ZINC001593482426 1094325315 /nfs/dbraw/zinc/32/53/15/1094325315.db2.gz STWHZWNZIXNXCF-UHFFFAOYSA-N -1 3 348.326 2.704 20 5 EFBDHM O=[N+]([O-])c1ccc(Nc2cnn(-c3ccccc3)c2)c(-c2nn[n-]n2)c1 ZINC001593482426 1094325323 /nfs/dbraw/zinc/32/53/23/1094325323.db2.gz STWHZWNZIXNXCF-UHFFFAOYSA-N -1 3 348.326 2.704 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCCc1c[nH]c2ccccc12 ZINC001593482499 1094326305 /nfs/dbraw/zinc/32/63/05/1094326305.db2.gz CKTJUZCDQSEHNR-UHFFFAOYSA-N -1 3 349.354 2.911 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCCc1c[nH]c2ccccc12 ZINC001593482499 1094326314 /nfs/dbraw/zinc/32/63/14/1094326314.db2.gz CKTJUZCDQSEHNR-UHFFFAOYSA-N -1 3 349.354 2.911 20 5 EFBDHM O=[N+]([O-])c1ncccc1CNc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001593488096 1094330402 /nfs/dbraw/zinc/33/04/02/1094330402.db2.gz XSXWCJMZFTXYFK-UHFFFAOYSA-N -1 3 337.343 2.659 20 5 EFBDHM O=[N+]([O-])c1ncccc1CNc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001593488096 1094330413 /nfs/dbraw/zinc/33/04/13/1094330413.db2.gz XSXWCJMZFTXYFK-UHFFFAOYSA-N -1 3 337.343 2.659 20 5 EFBDHM O=C([O-])[C@]1(c2ccccc2)CCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001601727197 1095865169 /nfs/dbraw/zinc/86/51/69/1095865169.db2.gz GDEDURMRQKKLOX-GOSISDBHSA-N -1 3 344.342 2.962 20 5 EFBDHM O=C([O-])[C@@H]1CCC[C@H]1NCc1ccc([N+](=O)[O-])cc1Br ZINC001601810867 1095915095 /nfs/dbraw/zinc/91/50/95/1095915095.db2.gz WWDDCEMEZMEHKR-ZYHUDNBSSA-N -1 3 343.177 2.700 20 5 EFBDHM O=C([O-])C[C@H](NCc1cccc([N+](=O)[O-])c1Br)C1CC1 ZINC001601905797 1095970086 /nfs/dbraw/zinc/97/00/86/1095970086.db2.gz FVPNAASJCIIETQ-JTQLQIEISA-N -1 3 343.177 2.700 20 5 EFBDHM O=C([O-])C[C@]1(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCOC1 ZINC001601936846 1095983639 /nfs/dbraw/zinc/98/36/39/1095983639.db2.gz UBGVVGWNBMEHSL-QGZVFWFLSA-N -1 3 346.339 2.578 20 5 EFBDHM O=C([O-])[C@@H]1CCC[C@@H]1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001602173727 1096102827 /nfs/dbraw/zinc/10/28/27/1096102827.db2.gz USMLXPBDHQMCAU-KGLIPLIRSA-N -1 3 331.328 2.593 20 5 EFBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN[C@@H]2CCc3ccccc3OC2)c1 ZINC001602403667 1096223611 /nfs/dbraw/zinc/22/36/11/1096223611.db2.gz LKRATJJEIWMSDH-OAHLLOKOSA-N -1 3 342.351 2.776 20 5 EFBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CC[C@@H](c3ccccn3)C2)c1 ZINC001602405422 1096225412 /nfs/dbraw/zinc/22/54/12/1096225412.db2.gz SUGAFPNKIOFBLE-CYBMUJFWSA-N -1 3 327.340 2.678 20 5 EFBDHM CC(=O)c1cccc(-c2nnn[n-]2)c1OCc1ccc([N+](=O)[O-])cc1 ZINC001602979078 1096414399 /nfs/dbraw/zinc/41/43/99/1096414399.db2.gz KWRFUCAYLORQNY-UHFFFAOYSA-N -1 3 339.311 2.557 20 5 EFBDHM CC(=O)c1cccc(-c2nn[n-]n2)c1OCc1ccc([N+](=O)[O-])cc1 ZINC001602979078 1096414405 /nfs/dbraw/zinc/41/44/05/1096414405.db2.gz KWRFUCAYLORQNY-UHFFFAOYSA-N -1 3 339.311 2.557 20 5 EFBDHM CC(C)(C)[C@H]1C[C@H](Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCO1 ZINC001603062807 1096427946 /nfs/dbraw/zinc/42/79/46/1096427946.db2.gz SDSRITZJHCWEGR-ZWNOBZJWSA-N -1 3 346.391 2.781 20 5 EFBDHM CC(C)(C)[C@H]1C[C@H](Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCO1 ZINC001603062807 1096427950 /nfs/dbraw/zinc/42/79/50/1096427950.db2.gz SDSRITZJHCWEGR-ZWNOBZJWSA-N -1 3 346.391 2.781 20 5 EFBDHM CC(C)(C)[C@H]1C[C@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CCO1 ZINC001603062384 1096428954 /nfs/dbraw/zinc/42/89/54/1096428954.db2.gz IKYUCGQLTFIGCW-BXUZGUMPSA-N -1 3 346.391 2.781 20 5 EFBDHM CC(C)(C)[C@H]1C[C@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CCO1 ZINC001603062384 1096428959 /nfs/dbraw/zinc/42/89/59/1096428959.db2.gz IKYUCGQLTFIGCW-BXUZGUMPSA-N -1 3 346.391 2.781 20 5 EFBDHM CC(C)(CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1C1CC1)[N+](=O)[O-] ZINC001603139619 1096456415 /nfs/dbraw/zinc/45/64/15/1096456415.db2.gz UJYZAJQHHKBTDI-UHFFFAOYSA-N -1 3 344.375 2.518 20 5 EFBDHM CC(C)(CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1C1CC1)[N+](=O)[O-] ZINC001603139619 1096456420 /nfs/dbraw/zinc/45/64/20/1096456420.db2.gz UJYZAJQHHKBTDI-UHFFFAOYSA-N -1 3 344.375 2.518 20 5 EFBDHM CC(C)CC1CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)CC1 ZINC001603270945 1096491340 /nfs/dbraw/zinc/49/13/40/1096491340.db2.gz SRXFGQMNYXBWLZ-UHFFFAOYSA-N -1 3 345.407 2.620 20 5 EFBDHM CC(C)CC1CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)CC1 ZINC001603270945 1096491345 /nfs/dbraw/zinc/49/13/45/1096491345.db2.gz SRXFGQMNYXBWLZ-UHFFFAOYSA-N -1 3 345.407 2.620 20 5 EFBDHM C[C@@H](CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])CC(F)(F)F ZINC001603553261 1096551615 /nfs/dbraw/zinc/55/16/15/1096551615.db2.gz PGAIBXDKAYGYTH-SSDOTTSWSA-N -1 3 330.270 2.775 20 5 EFBDHM C[C@@H](CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])CC(F)(F)F ZINC001603553261 1096551618 /nfs/dbraw/zinc/55/16/18/1096551618.db2.gz PGAIBXDKAYGYTH-SSDOTTSWSA-N -1 3 330.270 2.775 20 5 EFBDHM C[C@H](COc1ccccc1)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001603572238 1096556209 /nfs/dbraw/zinc/55/62/09/1096556209.db2.gz XGWIVEUKWGGHES-LLVKDONJSA-N -1 3 340.343 2.654 20 5 EFBDHM C[C@]1(C(F)(F)F)CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001603754625 1096614356 /nfs/dbraw/zinc/61/43/56/1096614356.db2.gz CVEKUNMZOSXGOK-LBPRGKRZSA-N -1 3 342.281 2.554 20 5 EFBDHM C[C@]1(C(F)(F)F)CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001603754625 1096614359 /nfs/dbraw/zinc/61/43/59/1096614359.db2.gz CVEKUNMZOSXGOK-LBPRGKRZSA-N -1 3 342.281 2.554 20 5 EFBDHM C[C@]1(CCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@]1(F)Cl ZINC001603799857 1096631302 /nfs/dbraw/zinc/63/13/02/1096631302.db2.gz DEOVZDJRWMVZKX-QWHCGFSZSA-N -1 3 340.746 2.892 20 5 EFBDHM C[C@]1(CCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@]1(F)Cl ZINC001603799857 1096631303 /nfs/dbraw/zinc/63/13/03/1096631303.db2.gz DEOVZDJRWMVZKX-QWHCGFSZSA-N -1 3 340.746 2.892 20 5 EFBDHM CCOc1cc(-c2nnn[n-]2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC001604446671 1096858965 /nfs/dbraw/zinc/85/89/65/1096858965.db2.gz SPTOSRWRWPNKFV-UHFFFAOYSA-N -1 3 341.327 2.753 20 5 EFBDHM CCOc1cc(-c2nn[n-]n2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC001604446671 1096858971 /nfs/dbraw/zinc/85/89/71/1096858971.db2.gz SPTOSRWRWPNKFV-UHFFFAOYSA-N -1 3 341.327 2.753 20 5 EFBDHM CCOc1ccc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC001604459693 1096865485 /nfs/dbraw/zinc/86/54/85/1096865485.db2.gz CVNUUEJJUMHXKO-UHFFFAOYSA-N -1 3 340.343 2.786 20 5 EFBDHM CCOc1ccc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC001604459693 1096865493 /nfs/dbraw/zinc/86/54/93/1096865493.db2.gz CVNUUEJJUMHXKO-UHFFFAOYSA-N -1 3 340.343 2.786 20 5 EFBDHM CCc1ccc(Nc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)cc1 ZINC001604524763 1096892089 /nfs/dbraw/zinc/89/20/89/1096892089.db2.gz FDGWNNGWZXLFIZ-UHFFFAOYSA-N -1 3 325.332 2.663 20 5 EFBDHM CCc1ccc(Nc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)cc1 ZINC001604524763 1096892097 /nfs/dbraw/zinc/89/20/97/1096892097.db2.gz FDGWNNGWZXLFIZ-UHFFFAOYSA-N -1 3 325.332 2.663 20 5 EFBDHM CCc1nc([C@H](C)Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)cs1 ZINC001604552167 1096901808 /nfs/dbraw/zinc/90/18/08/1096901808.db2.gz IGJZXJQSTONYBP-QMMMGPOBSA-N -1 3 345.388 2.967 20 5 EFBDHM CN(Cc1c(F)cccc1F)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604794881 1096957264 /nfs/dbraw/zinc/95/72/64/1096957264.db2.gz JUQNVXGLHLIUSU-UHFFFAOYSA-N -1 3 346.297 2.690 20 5 EFBDHM CN(Cc1c(F)cccc1F)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604794881 1096957268 /nfs/dbraw/zinc/95/72/68/1096957268.db2.gz JUQNVXGLHLIUSU-UHFFFAOYSA-N -1 3 346.297 2.690 20 5 EFBDHM CCC(CC)(CC(=O)OC)NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001604991917 1096995931 /nfs/dbraw/zinc/99/59/31/1096995931.db2.gz RDLYEPWBRCWWAQ-UHFFFAOYSA-N -1 3 338.360 2.505 20 5 EFBDHM COCC(C)(C)CCCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001605044272 1097009135 /nfs/dbraw/zinc/00/91/35/1097009135.db2.gz QDQZMMWKFAEKMY-UHFFFAOYSA-N -1 3 334.380 2.640 20 5 EFBDHM COCC(C)(C)CCCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001605044272 1097009141 /nfs/dbraw/zinc/00/91/41/1097009141.db2.gz QDQZMMWKFAEKMY-UHFFFAOYSA-N -1 3 334.380 2.640 20 5 EFBDHM COC/C(C)=C\CSCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001605044891 1097009366 /nfs/dbraw/zinc/00/93/66/1097009366.db2.gz RLZCIXQXVXWOBN-POHAHGRESA-N -1 3 335.389 2.601 20 5 EFBDHM COC/C(C)=C\CSCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001605044891 1097009369 /nfs/dbraw/zinc/00/93/69/1097009369.db2.gz RLZCIXQXVXWOBN-POHAHGRESA-N -1 3 335.389 2.601 20 5 EFBDHM COc1cc(-c2nn[n-]n2)ccc1NCc1cc(F)ccc1[N+](=O)[O-] ZINC001605175658 1097044885 /nfs/dbraw/zinc/04/48/85/1097044885.db2.gz AQAQYVWVFJASJR-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM COc1ccc(Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])c(OC)c1 ZINC001605301204 1097087942 /nfs/dbraw/zinc/08/79/42/1097087942.db2.gz PEFVLDUHDNDUHC-UHFFFAOYSA-N -1 3 342.315 2.536 20 5 EFBDHM COc1ccc(Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])c(OC)c1 ZINC001605301204 1097087949 /nfs/dbraw/zinc/08/79/49/1097087949.db2.gz PEFVLDUHDNDUHC-UHFFFAOYSA-N -1 3 342.315 2.536 20 5 EFBDHM COc1cccc(F)c1CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001605319936 1097094427 /nfs/dbraw/zinc/09/44/27/1097094427.db2.gz UGBDFLNUBRHHLC-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM COc1cccc(F)c1CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001605319936 1097094432 /nfs/dbraw/zinc/09/44/32/1097094432.db2.gz UGBDFLNUBRHHLC-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM COc1ccccc1[C@@H](C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605336211 1097100842 /nfs/dbraw/zinc/10/08/42/1097100842.db2.gz HKMQRGSPUXOODA-SNVBAGLBSA-N -1 3 340.343 2.957 20 5 EFBDHM COc1ccccc1[C@@H](C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605336211 1097100844 /nfs/dbraw/zinc/10/08/44/1097100844.db2.gz HKMQRGSPUXOODA-SNVBAGLBSA-N -1 3 340.343 2.957 20 5 EFBDHM CSCCCCCCNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605375848 1097109533 /nfs/dbraw/zinc/10/95/33/1097109533.db2.gz GHDSNQXCLFTMIA-UHFFFAOYSA-N -1 3 337.409 2.505 20 5 EFBDHM CSCCCCCCNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605375848 1097109535 /nfs/dbraw/zinc/10/95/35/1097109535.db2.gz GHDSNQXCLFTMIA-UHFFFAOYSA-N -1 3 337.409 2.505 20 5 EFBDHM CSc1ccc(Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC001605387480 1097114024 /nfs/dbraw/zinc/11/40/24/1097114024.db2.gz GQVZFRRHHQZHNI-UHFFFAOYSA-N -1 3 329.345 2.635 20 5 EFBDHM CSc1ccc(Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC001605387480 1097114025 /nfs/dbraw/zinc/11/40/25/1097114025.db2.gz GQVZFRRHHQZHNI-UHFFFAOYSA-N -1 3 329.345 2.635 20 5 EFBDHM C[C@H]1c2ccccc2CN1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001605447732 1097126934 /nfs/dbraw/zinc/12/69/34/1097126934.db2.gz HABYLKQYJQZJBU-NSHDSACASA-N -1 3 336.355 2.852 20 5 EFBDHM C[C@H]1c2ccccc2CN1Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001605447732 1097126938 /nfs/dbraw/zinc/12/69/38/1097126938.db2.gz HABYLKQYJQZJBU-NSHDSACASA-N -1 3 336.355 2.852 20 5 EFBDHM Cc1cc(-c2nnn[n-]2)cc(Oc2ccc([N+](=O)[O-])c(F)c2F)n1 ZINC001605535414 1097151790 /nfs/dbraw/zinc/15/17/90/1097151790.db2.gz SXUNRSSYYMTOEB-UHFFFAOYSA-N -1 3 334.242 2.549 20 5 EFBDHM Cc1cc(-c2nn[n-]n2)cc(Oc2ccc([N+](=O)[O-])c(F)c2F)n1 ZINC001605535414 1097151794 /nfs/dbraw/zinc/15/17/94/1097151794.db2.gz SXUNRSSYYMTOEB-UHFFFAOYSA-N -1 3 334.242 2.549 20 5 EFBDHM Cc1cc(-c2nnn[n-]2)cc(N[C@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC001605535182 1097152439 /nfs/dbraw/zinc/15/24/39/1097152439.db2.gz PSCLLHHOXFZFAY-SNVBAGLBSA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1cc(-c2nn[n-]n2)cc(N[C@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC001605535182 1097152443 /nfs/dbraw/zinc/15/24/43/1097152443.db2.gz PSCLLHHOXFZFAY-SNVBAGLBSA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1cc(NCc2cc(C3CC3)no2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605740874 1097211821 /nfs/dbraw/zinc/21/18/21/1097211821.db2.gz YLGKQHQSQHJRIB-UHFFFAOYSA-N -1 3 341.331 2.561 20 5 EFBDHM Cc1cc(NCc2cc(C3CC3)no2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605740874 1097211825 /nfs/dbraw/zinc/21/18/25/1097211825.db2.gz YLGKQHQSQHJRIB-UHFFFAOYSA-N -1 3 341.331 2.561 20 5 EFBDHM Cc1cc(Nc2ccc3c(c2)COC3)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605744651 1097212967 /nfs/dbraw/zinc/21/29/67/1097212967.db2.gz OCRGAPVSTPVPBM-UHFFFAOYSA-N -1 3 338.327 2.857 20 5 EFBDHM Cc1cc(Nc2ccc3c(c2)COC3)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605744651 1097212972 /nfs/dbraw/zinc/21/29/72/1097212972.db2.gz OCRGAPVSTPVPBM-UHFFFAOYSA-N -1 3 338.327 2.857 20 5 EFBDHM Cc1cc(Oc2ccc([N+](=O)[O-])cc2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605749832 1097214980 /nfs/dbraw/zinc/21/49/80/1097214980.db2.gz ISYKWOSEPWHRJO-UHFFFAOYSA-N -1 3 342.271 2.784 20 5 EFBDHM Cc1cc(Oc2ccc([N+](=O)[O-])cc2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605749832 1097214984 /nfs/dbraw/zinc/21/49/84/1097214984.db2.gz ISYKWOSEPWHRJO-UHFFFAOYSA-N -1 3 342.271 2.784 20 5 EFBDHM Cc1cc([N+](=O)[O-])ccc1NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC001605755655 1097215961 /nfs/dbraw/zinc/21/59/61/1097215961.db2.gz ONMCTMHMMJTPHR-UHFFFAOYSA-N -1 3 340.343 2.574 20 5 EFBDHM Cc1ccc(OCc2ccc(-c3nnn[n-]3)c(F)c2)cc1[N+](=O)[O-] ZINC001605879114 1097263596 /nfs/dbraw/zinc/26/35/96/1097263596.db2.gz ANLBBNWCFUBMRN-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1ccc(OCc2ccc(-c3nn[n-]n3)c(F)c2)cc1[N+](=O)[O-] ZINC001605879114 1097263601 /nfs/dbraw/zinc/26/36/01/1097263601.db2.gz ANLBBNWCFUBMRN-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)Oc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001605884494 1097265273 /nfs/dbraw/zinc/26/52/73/1097265273.db2.gz IIWFVHPCHOMYLU-UHFFFAOYSA-N -1 3 339.311 2.611 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)Oc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001605884494 1097265279 /nfs/dbraw/zinc/26/52/79/1097265279.db2.gz IIWFVHPCHOMYLU-UHFFFAOYSA-N -1 3 339.311 2.611 20 5 EFBDHM Cc1ccc2c(c1)CN(c1c(-c3nnn[n-]3)cccc1[N+](=O)[O-])CC2 ZINC001605889013 1097267399 /nfs/dbraw/zinc/26/73/99/1097267399.db2.gz YBSFXANZLVFMCY-UHFFFAOYSA-N -1 3 336.355 2.646 20 5 EFBDHM Cc1ccc2c(c1)CN(c1c(-c3nn[n-]n3)cccc1[N+](=O)[O-])CC2 ZINC001605889013 1097267404 /nfs/dbraw/zinc/26/74/04/1097267404.db2.gz YBSFXANZLVFMCY-UHFFFAOYSA-N -1 3 336.355 2.646 20 5 EFBDHM Cc1nc(NCc2cccc([N+](=O)[O-])c2)c(Cl)cc1-c1nnn[n-]1 ZINC001606076403 1097313008 /nfs/dbraw/zinc/31/30/08/1097313008.db2.gz HNSPXXDKFAQTEN-UHFFFAOYSA-N -1 3 345.750 2.744 20 5 EFBDHM Cc1nc(NCc2cccc([N+](=O)[O-])c2)c(Cl)cc1-c1nn[n-]n1 ZINC001606076403 1097313011 /nfs/dbraw/zinc/31/30/11/1097313011.db2.gz HNSPXXDKFAQTEN-UHFFFAOYSA-N -1 3 345.750 2.744 20 5 EFBDHM COCCN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@@H]1CC[C@H](C)C1 ZINC001606890277 1097465835 /nfs/dbraw/zinc/46/58/35/1097465835.db2.gz YTZRVEGXNJDDNJ-SWLSCSKDSA-N -1 3 336.388 2.930 20 5 EFBDHM O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001606938211 1097476000 /nfs/dbraw/zinc/47/60/00/1097476000.db2.gz BYCBRUFNOOVGRY-UHFFFAOYSA-N -1 3 344.718 2.681 20 5 EFBDHM O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001606938211 1097476006 /nfs/dbraw/zinc/47/60/06/1097476006.db2.gz BYCBRUFNOOVGRY-UHFFFAOYSA-N -1 3 344.718 2.681 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N[C@@H]1C[C@@H]1c1ccccc1 ZINC001607077192 1097504990 /nfs/dbraw/zinc/50/49/90/1097504990.db2.gz IEVDLVUAEWEHTF-ZWNOBZJWSA-N -1 3 340.318 2.882 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N[C@@H]1C[C@@H]1c1ccccc1 ZINC001607077192 1097504994 /nfs/dbraw/zinc/50/49/94/1097504994.db2.gz IEVDLVUAEWEHTF-ZWNOBZJWSA-N -1 3 340.318 2.882 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N[C@@H]1CCCC(F)(F)C1 ZINC001607077441 1097505717 /nfs/dbraw/zinc/50/57/17/1097505717.db2.gz NATDJGNUOXIMDO-SSDOTTSWSA-N -1 3 342.281 2.904 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N[C@@H]1CCCC(F)(F)C1 ZINC001607077441 1097505723 /nfs/dbraw/zinc/50/57/23/1097505723.db2.gz NATDJGNUOXIMDO-SSDOTTSWSA-N -1 3 342.281 2.904 20 5 EFBDHM O=[N+]([O-])c1cc(NCCC[C@H]2CCCC[C@@H]2O)ccc1-c1nnn[n-]1 ZINC001607078860 1097506360 /nfs/dbraw/zinc/50/63/60/1097506360.db2.gz ATPAMXIVMXBNPU-ABAIWWIYSA-N -1 3 346.391 2.518 20 5 EFBDHM O=[N+]([O-])c1cc(NC[C@H]2CCOC3(CCC3)C2)ccc1-c1nnn[n-]1 ZINC001607078946 1097506642 /nfs/dbraw/zinc/50/66/42/1097506642.db2.gz CHJCGCFHVAWYHH-NSHDSACASA-N -1 3 344.375 2.536 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCc1cccc2cc[nH]c21 ZINC001607079481 1097506652 /nfs/dbraw/zinc/50/66/52/1097506652.db2.gz LSSZSGLYEYAHPE-UHFFFAOYSA-N -1 3 335.327 2.868 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCc1cccc2cc[nH]c21 ZINC001607079481 1097506657 /nfs/dbraw/zinc/50/66/57/1097506657.db2.gz LSSZSGLYEYAHPE-UHFFFAOYSA-N -1 3 335.327 2.868 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1SCc1ccncc1 ZINC001607078102 1097506992 /nfs/dbraw/zinc/50/69/92/1097506992.db2.gz ZVNRJMXRIGZQJA-UHFFFAOYSA-N -1 3 332.320 2.601 20 5 EFBDHM O=[N+]([O-])c1ccc(NCc2ccc3ncccc3c2)c(-c2nnn[n-]2)c1 ZINC001607081628 1097507696 /nfs/dbraw/zinc/50/76/96/1097507696.db2.gz FNFCIBJXXKGECC-UHFFFAOYSA-N -1 3 347.338 2.935 20 5 EFBDHM O=[N+]([O-])c1ccc(NCc2ccc3ncccc3c2)c(-c2nn[n-]n2)c1 ZINC001607081628 1097507702 /nfs/dbraw/zinc/50/77/02/1097507702.db2.gz FNFCIBJXXKGECC-UHFFFAOYSA-N -1 3 347.338 2.935 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCCc1c[nH]c2ccccc12 ZINC001607081212 1097508619 /nfs/dbraw/zinc/50/86/19/1097508619.db2.gz BOESUNXFBCTWPH-UHFFFAOYSA-N -1 3 349.354 2.911 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCCc1c[nH]c2ccccc12 ZINC001607081212 1097508624 /nfs/dbraw/zinc/50/86/24/1097508624.db2.gz BOESUNXFBCTWPH-UHFFFAOYSA-N -1 3 349.354 2.911 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CC(c3ccc(F)cc3)C2)c(-c2nnn[n-]2)c1 ZINC001607082512 1097508847 /nfs/dbraw/zinc/50/88/47/1097508847.db2.gz YQEKKUXJTQMYMP-UHFFFAOYSA-N -1 3 340.318 2.518 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CC(c3ccc(F)cc3)C2)c(-c2nn[n-]n2)c1 ZINC001607082512 1097508854 /nfs/dbraw/zinc/50/88/54/1097508854.db2.gz YQEKKUXJTQMYMP-UHFFFAOYSA-N -1 3 340.318 2.518 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001607082745 1097508971 /nfs/dbraw/zinc/50/89/71/1097508971.db2.gz RCMXSFOKQOLIQS-KXUCPTDWSA-N -1 3 336.302 2.621 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001607082745 1097508976 /nfs/dbraw/zinc/50/89/76/1097508976.db2.gz RCMXSFOKQOLIQS-KXUCPTDWSA-N -1 3 336.302 2.621 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N[C@H](C1CCC1)[C@H]1CCCO1 ZINC001607083061 1097509275 /nfs/dbraw/zinc/50/92/75/1097509275.db2.gz VSITVSXMUBQSKH-HUUCEWRRSA-N -1 3 344.375 2.535 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N[C@H](C1CCC1)[C@H]1CCCO1 ZINC001607083061 1097509279 /nfs/dbraw/zinc/50/92/79/1097509279.db2.gz VSITVSXMUBQSKH-HUUCEWRRSA-N -1 3 344.375 2.535 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1Oc1cccc(-n2cccn2)c1 ZINC001607083130 1097509291 /nfs/dbraw/zinc/50/92/91/1097509291.db2.gz XQUKVFJQJZNWIN-UHFFFAOYSA-N -1 3 349.310 2.753 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1Oc1cccc(-n2cccn2)c1 ZINC001607083130 1097509296 /nfs/dbraw/zinc/50/92/96/1097509296.db2.gz XQUKVFJQJZNWIN-UHFFFAOYSA-N -1 3 349.310 2.753 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCCc1cccc(F)c1F ZINC001607084455 1097510089 /nfs/dbraw/zinc/51/00/89/1097510089.db2.gz HOZWTVGUYRIDGU-UHFFFAOYSA-N -1 3 346.297 2.708 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCCc1cccc(F)c1F ZINC001607084455 1097510094 /nfs/dbraw/zinc/51/00/94/1097510094.db2.gz HOZWTVGUYRIDGU-UHFFFAOYSA-N -1 3 346.297 2.708 20 5 EFBDHM O=[N+]([O-])c1ccc2nc(N[C@H]3[C@@H]4CCC[C@@H]43)cc(-c3nnn[n-]3)c2c1 ZINC001607083551 1097510185 /nfs/dbraw/zinc/51/01/85/1097510185.db2.gz JXMVBAOCVAWFFZ-RTUWITSCSA-N -1 3 337.343 2.534 20 5 EFBDHM O=[N+]([O-])c1ccc2nc(N[C@H]3[C@@H]4CCC[C@@H]43)cc(-c3nn[n-]n3)c2c1 ZINC001607083551 1097510190 /nfs/dbraw/zinc/51/01/90/1097510190.db2.gz JXMVBAOCVAWFFZ-RTUWITSCSA-N -1 3 337.343 2.534 20 5 EFBDHM O=[N+]([O-])c1cnc(NCc2ccc(C3CC3)cc2)c(-c2nnn[n-]2)c1 ZINC001607086543 1097510348 /nfs/dbraw/zinc/51/03/48/1097510348.db2.gz NRNGOSFBROJFII-UHFFFAOYSA-N -1 3 337.343 2.659 20 5 EFBDHM O=[N+]([O-])c1cnc(NCc2ccc(C3CC3)cc2)c(-c2nn[n-]n2)c1 ZINC001607086543 1097510353 /nfs/dbraw/zinc/51/03/53/1097510353.db2.gz NRNGOSFBROJFII-UHFFFAOYSA-N -1 3 337.343 2.659 20 5 EFBDHM O=[N+]([O-])c1cnc(NCCCC2CCCCC2)c(-c2nnn[n-]2)c1 ZINC001607087020 1097511622 /nfs/dbraw/zinc/51/16/22/1097511622.db2.gz XRSAMWYCAFFUAA-UHFFFAOYSA-N -1 3 331.380 2.942 20 5 EFBDHM O=[N+]([O-])c1cnc(NCCCC2CCCCC2)c(-c2nn[n-]n2)c1 ZINC001607087020 1097511631 /nfs/dbraw/zinc/51/16/31/1097511631.db2.gz XRSAMWYCAFFUAA-UHFFFAOYSA-N -1 3 331.380 2.942 20 5 EFBDHM O=C([O-])C[C@@H](NCc1cc([N+](=O)[O-])ccc1Br)C1CC1 ZINC001608674804 1097986546 /nfs/dbraw/zinc/98/65/46/1097986546.db2.gz ZGYIFWUOZGXJRZ-GFCCVEGCSA-N -1 3 343.177 2.700 20 5 EFBDHM C[C@H](Oc1nccc([O-])c1[N+](=O)[O-])c1ccc(Br)nc1 ZINC001225666026 1098008805 /nfs/dbraw/zinc/00/88/05/1098008805.db2.gz FMVPHNPYYOSESK-ZETCQYMHSA-N -1 3 340.133 2.993 20 5 EFBDHM C[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])c1ccc(Br)nc1 ZINC001225666022 1098009208 /nfs/dbraw/zinc/00/92/08/1098009208.db2.gz FMVPHNPYYOSESK-SSDOTTSWSA-N -1 3 340.133 2.993 20 5 EFBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN[C@@H]2CCO[C@H]2c2ccccc2)c1 ZINC001608914715 1098069852 /nfs/dbraw/zinc/06/98/52/1098069852.db2.gz GJXCINLPANZDOD-WBVHZDCISA-N -1 3 342.351 2.913 20 5 EFBDHM CC(C)(CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])c1cccnc1 ZINC001609084094 1098137053 /nfs/dbraw/zinc/13/70/53/1098137053.db2.gz HHHOPVOXUNBQRH-UHFFFAOYSA-N -1 3 339.359 2.560 20 5 EFBDHM CC(C)(CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])c1cccnc1 ZINC001609084094 1098137056 /nfs/dbraw/zinc/13/70/56/1098137056.db2.gz HHHOPVOXUNBQRH-UHFFFAOYSA-N -1 3 339.359 2.560 20 5 EFBDHM CC(C)[C@]1(C)C[C@@H]1C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609090427 1098140038 /nfs/dbraw/zinc/14/00/38/1098140038.db2.gz UHBFQVIDUPIZMD-WBMJQRKESA-N -1 3 345.359 2.500 20 5 EFBDHM CC(C)[C@]1(C)C[C@@H]1C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609090427 1098140045 /nfs/dbraw/zinc/14/00/45/1098140045.db2.gz UHBFQVIDUPIZMD-WBMJQRKESA-N -1 3 345.359 2.500 20 5 EFBDHM CC(C)C[C@H](C)OC(=O)Oc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609093315 1098141326 /nfs/dbraw/zinc/14/13/26/1098141326.db2.gz XPCBGIZXBBNSET-VIFPVBQESA-N -1 3 335.320 2.725 20 5 EFBDHM CC(C)C[C@H](C)OC(=O)Oc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609093315 1098141329 /nfs/dbraw/zinc/14/13/29/1098141329.db2.gz XPCBGIZXBBNSET-VIFPVBQESA-N -1 3 335.320 2.725 20 5 EFBDHM C[C@@]1(c2ccccc2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609151550 1098171593 /nfs/dbraw/zinc/17/15/93/1098171593.db2.gz LOUWZVJSBWITJG-RDJZCZTQSA-N -1 3 336.355 2.917 20 5 EFBDHM CCC1(CC)CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCS1 ZINC001609196806 1098195110 /nfs/dbraw/zinc/19/51/10/1098195110.db2.gz DGOBRUZZWKKNBB-UHFFFAOYSA-N -1 3 348.432 2.887 20 5 EFBDHM CCC1(CC)CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCS1 ZINC001609196806 1098195114 /nfs/dbraw/zinc/19/51/14/1098195114.db2.gz DGOBRUZZWKKNBB-UHFFFAOYSA-N -1 3 348.432 2.887 20 5 EFBDHM COc1ccc(C)cc1CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609353295 1098262014 /nfs/dbraw/zinc/26/20/14/1098262014.db2.gz QCPQLSQXPPWFLS-UHFFFAOYSA-N -1 3 340.343 2.704 20 5 EFBDHM COc1cccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1[N+](=O)[O-] ZINC001609362547 1098267381 /nfs/dbraw/zinc/26/73/81/1098267381.db2.gz ZIRHRBQIUUGUMF-SNVBAGLBSA-N -1 3 340.343 2.957 20 5 EFBDHM COc1cccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1[N+](=O)[O-] ZINC001609362547 1098267390 /nfs/dbraw/zinc/26/73/90/1098267390.db2.gz ZIRHRBQIUUGUMF-SNVBAGLBSA-N -1 3 340.343 2.957 20 5 EFBDHM Cc1cc(-c2nnn[n-]2)ccc1COc1cc(F)ccc1[N+](=O)[O-] ZINC001609388415 1098281467 /nfs/dbraw/zinc/28/14/67/1098281467.db2.gz QGTIUKWLSHTGIE-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1cc(-c2nn[n-]n2)ccc1COc1cc(F)ccc1[N+](=O)[O-] ZINC001609388415 1098281472 /nfs/dbraw/zinc/28/14/72/1098281472.db2.gz QGTIUKWLSHTGIE-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1cc(N2CCC[C@@H](C3CC3)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609404658 1098295887 /nfs/dbraw/zinc/29/58/87/1098295887.db2.gz HKASQAHIDAQTFU-GFCCVEGCSA-N -1 3 328.376 2.710 20 5 EFBDHM Cc1cc(N2CCC[C@@H](C3CC3)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609404658 1098295893 /nfs/dbraw/zinc/29/58/93/1098295893.db2.gz HKASQAHIDAQTFU-GFCCVEGCSA-N -1 3 328.376 2.710 20 5 EFBDHM Cc1ccc(-c2nnn[n-]2)cc1OCCc1ccc([N+](=O)[O-])cc1 ZINC001609416486 1098303730 /nfs/dbraw/zinc/30/37/30/1098303730.db2.gz LBHUEHDMGBGLPC-UHFFFAOYSA-N -1 3 325.328 2.705 20 5 EFBDHM Cc1ccc(-c2nn[n-]n2)cc1OCCc1ccc([N+](=O)[O-])cc1 ZINC001609416486 1098303737 /nfs/dbraw/zinc/30/37/37/1098303737.db2.gz LBHUEHDMGBGLPC-UHFFFAOYSA-N -1 3 325.328 2.705 20 5 EFBDHM Cc1ccncc1[C@@H](C)Nc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609439191 1098322761 /nfs/dbraw/zinc/32/27/61/1098322761.db2.gz QBSFSJNBGVQEFZ-LLVKDONJSA-N -1 3 339.359 2.960 20 5 EFBDHM Cc1ccncc1[C@@H](C)Nc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609439191 1098322767 /nfs/dbraw/zinc/32/27/67/1098322767.db2.gz QBSFSJNBGVQEFZ-LLVKDONJSA-N -1 3 339.359 2.960 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CCC2(CCCC2)CC1 ZINC001609601079 1098393588 /nfs/dbraw/zinc/39/35/88/1098393588.db2.gz POPLLLATSZFFHV-UHFFFAOYSA-N -1 3 328.376 2.936 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CCC2(CCCC2)CC1 ZINC001609601079 1098393593 /nfs/dbraw/zinc/39/35/93/1098393593.db2.gz POPLLLATSZFFHV-UHFFFAOYSA-N -1 3 328.376 2.936 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NCC1(C2CCC2)CCC1 ZINC001609600540 1098394188 /nfs/dbraw/zinc/39/41/88/1098394188.db2.gz POSFAOCXWBTMOS-UHFFFAOYSA-N -1 3 329.364 2.552 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NCC1(C2CCC2)CCC1 ZINC001609600540 1098394196 /nfs/dbraw/zinc/39/41/96/1098394196.db2.gz POSFAOCXWBTMOS-UHFFFAOYSA-N -1 3 329.364 2.552 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N[C@@H]1CCOC2(CCCC2)C1 ZINC001609601595 1098395722 /nfs/dbraw/zinc/39/57/22/1098395722.db2.gz PORKPNWAWUXBDQ-GFCCVEGCSA-N -1 3 344.375 2.679 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N[C@@H]1CCOC2(CCCC2)C1 ZINC001609601595 1098395725 /nfs/dbraw/zinc/39/57/25/1098395725.db2.gz PORKPNWAWUXBDQ-GFCCVEGCSA-N -1 3 344.375 2.679 20 5 EFBDHM O=[N+]([O-])c1ccc(Cl)cc1C=Cc1ccncc1-c1nnn[n-]1 ZINC001609601331 1098396575 /nfs/dbraw/zinc/39/65/75/1098396575.db2.gz IGBZWPCXZCLNGZ-UPHRSURJSA-N -1 3 328.719 2.994 20 5 EFBDHM O=[N+]([O-])c1ccc(Cl)cc1C=Cc1ccncc1-c1nn[n-]n1 ZINC001609601331 1098396578 /nfs/dbraw/zinc/39/65/78/1098396578.db2.gz IGBZWPCXZCLNGZ-UPHRSURJSA-N -1 3 328.719 2.994 20 5 EFBDHM O=[N+]([O-])c1cnc(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)s1 ZINC001609603423 1098396778 /nfs/dbraw/zinc/39/67/78/1098396778.db2.gz CJAHRHGQVWFEPA-LLVKDONJSA-N -1 3 343.372 2.721 20 5 EFBDHM O=[N+]([O-])c1cnc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)s1 ZINC001609603423 1098396783 /nfs/dbraw/zinc/39/67/83/1098396783.db2.gz CJAHRHGQVWFEPA-LLVKDONJSA-N -1 3 343.372 2.721 20 5 EFBDHM C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(OCC(=O)[O-])cc1 ZINC001609781471 1098456134 /nfs/dbraw/zinc/45/61/34/1098456134.db2.gz MKVXPEDTAOXUMV-LBPRGKRZSA-N -1 3 330.340 2.909 20 5 EFBDHM CC[C@H](C)N[C@H](CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])c1ccco1 ZINC001609909492 1098491006 /nfs/dbraw/zinc/49/10/06/1098491006.db2.gz BSOOFXMVQPEVGY-CMPLNLGQSA-N -1 3 348.359 2.822 20 5 EFBDHM C/C=C(/C)C(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC1 ZINC001104383370 1102666892 /nfs/dbraw/zinc/66/68/92/1102666892.db2.gz MBEMSXXTURWILV-JYOAFUTRSA-N -1 3 334.376 2.503 20 5 EFBDHM COc1cc(C(=O)[N-]c2cc(C)on2)c([N+](=O)[O-])cc1OC(F)F ZINC000785413620 1103922928 /nfs/dbraw/zinc/92/29/28/1103922928.db2.gz HFLRCCFJEQZMGX-UHFFFAOYSA-N -1 3 343.242 2.754 20 5 EFBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)CC1CCCC1 ZINC001106665937 1111708221 /nfs/dbraw/zinc/70/82/21/1111708221.db2.gz LIEYTMYXBOCOMA-UHFFFAOYSA-N -1 3 336.392 2.536 20 5 EFBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C=C1CCCCC1 ZINC001106686524 1111719586 /nfs/dbraw/zinc/71/95/86/1111719586.db2.gz TYWKFLVTTYPFND-UHFFFAOYSA-N -1 3 348.403 2.846 20 5 EFBDHM CCC(CC)CC(=O)N(CC)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001106816920 1111877917 /nfs/dbraw/zinc/87/79/17/1111877917.db2.gz PLWNXYNAEQYKJN-UHFFFAOYSA-N -1 3 338.408 2.782 20 5 EFBDHM CC(=O)c1ccc(OC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000916851194 1111989790 /nfs/dbraw/zinc/98/97/90/1111989790.db2.gz YQISMPJWQULORK-UHFFFAOYSA-N -1 3 325.280 2.893 20 5 EFBDHM O=C(CC1CCCCC1)NC/C=C\CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107022327 1119802409 /nfs/dbraw/zinc/80/24/09/1119802409.db2.gz COPJQQCDOLGXBV-PLNGDYQASA-N -1 3 348.403 2.750 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(C3CC3)CC2)c(Cl)c1 ZINC000160123604 239044589 /nfs/dbraw/zinc/04/45/89/239044589.db2.gz BZCXSOJTMMTOAB-UHFFFAOYSA-N -1 3 330.793 2.717 20 5 EFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CC1(C2CC2)CC1 ZINC000160152518 239045035 /nfs/dbraw/zinc/04/50/35/239045035.db2.gz SWJHLHAXRDGZAR-UHFFFAOYSA-N -1 3 330.793 2.717 20 5 EFBDHM O=C(c1ccc(O)cc1[O-])N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000163844219 239110851 /nfs/dbraw/zinc/11/08/51/239110851.db2.gz VQEURWVOEBMXPE-UHFFFAOYSA-N -1 3 328.324 2.811 20 5 EFBDHM CSCCc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000193534278 240110663 /nfs/dbraw/zinc/11/06/63/240110663.db2.gz MYKJFLDAAJYVDT-UHFFFAOYSA-N -1 3 333.369 2.853 20 5 EFBDHM O=C(Nc1ccc(-c2ncco2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193786731 240127005 /nfs/dbraw/zinc/12/70/05/240127005.db2.gz VRZROFABVLTOID-UHFFFAOYSA-N -1 3 326.268 2.603 20 5 EFBDHM Cc1cc(CN(C)C)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000414453992 244170907 /nfs/dbraw/zinc/17/09/07/244170907.db2.gz CIHZNWGAGUDJLO-UHFFFAOYSA-N -1 3 349.412 2.766 20 5 EFBDHM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccncc1F ZINC000078075355 284286935 /nfs/dbraw/zinc/28/69/35/284286935.db2.gz NZZUAJSCWTVBGC-UHFFFAOYSA-N -1 3 333.275 2.543 20 5 EFBDHM O=C([N-]O[C@H]1CCCCO1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000079865029 217258263 /nfs/dbraw/zinc/25/82/63/217258263.db2.gz DEQDKTYOXAMXID-NSHDSACASA-N -1 3 334.250 2.802 20 5 EFBDHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cs1 ZINC000111363461 220146324 /nfs/dbraw/zinc/14/63/24/220146324.db2.gz KNVAMIYDWFEHKR-SECBINFHSA-N -1 3 341.414 2.653 20 5 EFBDHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cs1 ZINC000111363464 220145894 /nfs/dbraw/zinc/14/58/94/220145894.db2.gz KNVAMIYDWFEHKR-VIFPVBQESA-N -1 3 341.414 2.653 20 5 EFBDHM COc1ccc(C)cc1CN[C@@H](Cc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000426810344 247301189 /nfs/dbraw/zinc/30/11/89/247301189.db2.gz YTZNAUSYJVRIQS-HNNXBMFYSA-N -1 3 344.367 2.697 20 5 EFBDHM O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1cc(F)ccc1F ZINC000426799099 247301493 /nfs/dbraw/zinc/30/14/93/247301493.db2.gz HKQMIZJDSCVMBI-HNNXBMFYSA-N -1 3 336.294 2.659 20 5 EFBDHM Cc1ccc2c(Cn3cc([N+](=O)[O-])c(C)cc3=O)ccc([O-])c2n1 ZINC000427806849 247396319 /nfs/dbraw/zinc/39/63/19/247396319.db2.gz LCSNBMAFMOQSKY-UHFFFAOYSA-N -1 3 325.324 2.675 20 5 EFBDHM CC[C@]1(C)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)cc2O1 ZINC000443673405 250218205 /nfs/dbraw/zinc/21/82/05/250218205.db2.gz IUGCARHPTLAUIM-MRXNPFEDSA-N -1 3 345.311 2.845 20 5 EFBDHM CC[C@@]1(C)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)cc2O1 ZINC000443673404 250218348 /nfs/dbraw/zinc/21/83/48/250218348.db2.gz IUGCARHPTLAUIM-INIZCTEOSA-N -1 3 345.311 2.845 20 5 EFBDHM O=c1[n-]nc(C2CCN(c3nccc4c3cccc4[N+](=O)[O-])CC2)o1 ZINC000450498705 251399710 /nfs/dbraw/zinc/39/97/10/251399710.db2.gz HWECXVYDWWGMKJ-UHFFFAOYSA-N -1 3 341.327 2.616 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)cc1 ZINC000005126717 210394867 /nfs/dbraw/zinc/39/48/67/210394867.db2.gz LKEBJQQYHWYJMF-UHFFFAOYSA-N -1 3 332.259 2.813 20 5 EFBDHM CCN(c1ccc([O-])cc1)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000189515825 285146813 /nfs/dbraw/zinc/14/68/13/285146813.db2.gz AVDQMUWPAPBNOR-UHFFFAOYSA-N -1 3 336.369 2.824 20 5 EFBDHM O=c1[n-]c(=O)n(Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1Cl ZINC000448111196 285226429 /nfs/dbraw/zinc/22/64/29/285226429.db2.gz LAXIBEKJNSOSHA-UHFFFAOYSA-N -1 3 349.652 2.578 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CCCCC1(C)C ZINC000467132915 256009134 /nfs/dbraw/zinc/00/91/34/256009134.db2.gz BLPHBLVWKARJMU-AWEZNQCLSA-N -1 3 342.417 2.851 20 5 EFBDHM COc1cc(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc(OC)c1[O-] ZINC000343208940 141954456 /nfs/dbraw/zinc/95/44/56/141954456.db2.gz GYVQHBWQANKMLB-SNVBAGLBSA-N -1 3 346.339 2.809 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCSCC(C)C)c1C ZINC000339450173 144773082 /nfs/dbraw/zinc/77/30/82/144773082.db2.gz YUMMKRCHZVJYJG-UHFFFAOYSA-N -1 3 346.474 2.879 20 5 EFBDHM Cc1ccccc1-c1cc(=NC(=O)Cc2ccc([N+](=O)[O-])cc2)[nH][n-]1 ZINC000342156853 145072712 /nfs/dbraw/zinc/07/27/12/145072712.db2.gz QDCUGFITIWXRRF-UHFFFAOYSA-N -1 3 336.351 2.896 20 5 EFBDHM CCc1nc(C)c(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)o1 ZINC000342257076 145088999 /nfs/dbraw/zinc/08/89/99/145088999.db2.gz FEBQWACEHDMUMG-UHFFFAOYSA-N -1 3 341.327 2.518 20 5 EFBDHM O=C(Nc1n[nH]c2ccc(F)cc21)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000342964078 145230996 /nfs/dbraw/zinc/23/09/96/145230996.db2.gz MQFMSYIXQVRMNA-UHFFFAOYSA-N -1 3 340.274 2.739 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000352128695 146296887 /nfs/dbraw/zinc/29/68/87/146296887.db2.gz ZXLANVYTOZXFEY-GRYCIOLGSA-N -1 3 342.417 2.706 20 5 EFBDHM CCOC(=O)c1ccc(NC(=O)c2csc([N+](=O)[O-])c2)c([O-])c1 ZINC000356316015 147209914 /nfs/dbraw/zinc/20/99/14/147209914.db2.gz AJZYPTAZNSIEHX-UHFFFAOYSA-N -1 3 336.325 2.791 20 5 EFBDHM CCOC1(C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])CCCC1 ZINC000339030247 286008766 /nfs/dbraw/zinc/00/87/66/286008766.db2.gz WRCCAPOYUBLKCA-UHFFFAOYSA-N -1 3 342.417 2.531 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]Cc2cccc([N+](=O)[O-])c2C)c(F)c1 ZINC000360147491 148284213 /nfs/dbraw/zinc/28/42/13/148284213.db2.gz GUZDHZDHOGGVQM-UHFFFAOYSA-N -1 3 338.360 2.829 20 5 EFBDHM C[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000360355208 148340018 /nfs/dbraw/zinc/34/00/18/148340018.db2.gz YBILRHIXGMLVIJ-NXEZZACHSA-N -1 3 332.809 2.963 20 5 EFBDHM Cc1c(CNC(=O)c2c[n-]c3ccccc3c2=O)cccc1[N+](=O)[O-] ZINC000360515397 148380996 /nfs/dbraw/zinc/38/09/96/148380996.db2.gz OHTBJXXFZDRTDW-UHFFFAOYSA-N -1 3 337.335 2.675 20 5 EFBDHM O=C([N-]c1nc2cc(Cl)ccn2n1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000362290266 148793701 /nfs/dbraw/zinc/79/37/01/148793701.db2.gz ZWPLPLQKQSHINR-UHFFFAOYSA-N -1 3 335.682 2.682 20 5 EFBDHM CC(C)(NC(=O)/C=C/c1cncc([O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC000179539654 264936271 /nfs/dbraw/zinc/93/62/71/264936271.db2.gz HTRYQOHJRDFLJQ-FPYGCLRLSA-N -1 3 327.340 2.760 20 5 EFBDHM COc1c(F)cc(S(=O)(=O)[N-]C2(C)CCCCC2)cc1[N+](=O)[O-] ZINC000186620011 265072147 /nfs/dbraw/zinc/07/21/47/265072147.db2.gz YZPSJUUUORFWAR-UHFFFAOYSA-N -1 3 346.380 2.744 20 5 EFBDHM COc1cc(CNc2ncccc2OC(F)F)c([N+](=O)[O-])cc1[O-] ZINC000189268166 265180442 /nfs/dbraw/zinc/18/04/42/265180442.db2.gz LCHSHZCMNJOXRS-UHFFFAOYSA-N -1 3 341.270 2.918 20 5 EFBDHM CSc1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1[N+](=O)[O-] ZINC000194921976 265396138 /nfs/dbraw/zinc/39/61/38/265396138.db2.gz METCQGDSTGOMFZ-UHFFFAOYSA-N -1 3 347.278 2.706 20 5 EFBDHM CSc1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1[N+](=O)[O-] ZINC000194921976 265396141 /nfs/dbraw/zinc/39/61/41/265396141.db2.gz METCQGDSTGOMFZ-UHFFFAOYSA-N -1 3 347.278 2.706 20 5 EFBDHM Cn1ccnc1C[N-]c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000271678515 266040489 /nfs/dbraw/zinc/04/04/89/266040489.db2.gz YOGRLOYOUHMNCU-UHFFFAOYSA-N -1 3 345.237 2.867 20 5 EFBDHM CCC[C@](C)([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000272131216 266163858 /nfs/dbraw/zinc/16/38/58/266163858.db2.gz WMFRMDMCKKFVLM-AWEZNQCLSA-N -1 3 344.314 2.535 20 5 EFBDHM Cc1nn(C)cc1[C@H](C)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272250443 266204135 /nfs/dbraw/zinc/20/41/35/266204135.db2.gz SLKOUPKJQJQMLO-VIFPVBQESA-N -1 3 338.314 2.606 20 5 EFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CC2CCSCC2)c1[N+](=O)[O-] ZINC000276825576 267056721 /nfs/dbraw/zinc/05/67/21/267056721.db2.gz NZAYUDURCWFAGI-UHFFFAOYSA-N -1 3 344.458 2.633 20 5 EFBDHM CC(C)(CNCc1cc([N+](=O)[O-])ccc1OC(F)F)CC(=O)[O-] ZINC000277541825 267193391 /nfs/dbraw/zinc/19/33/91/267193391.db2.gz ZQPHXZMRCMZPTP-UHFFFAOYSA-N -1 3 332.303 2.787 20 5 EFBDHM COC(=O)c1cccc2nc(NC(=O)c3ccccc3[N+](=O)[O-])[n-]c21 ZINC000157772936 273021512 /nfs/dbraw/zinc/02/15/12/273021512.db2.gz PBTXUWQHWGBZAC-UHFFFAOYSA-N -1 3 340.295 2.510 20 5 EFBDHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccccc3[N+](=O)[O-])nc21 ZINC000157772936 273021513 /nfs/dbraw/zinc/02/15/13/273021513.db2.gz PBTXUWQHWGBZAC-UHFFFAOYSA-N -1 3 340.295 2.510 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-]C2(C)CCCCC2)c([N+](=O)[O-])c1 ZINC000193823595 273064971 /nfs/dbraw/zinc/06/49/71/273064971.db2.gz QKQMPQHZGXHVCM-UHFFFAOYSA-N -1 3 328.390 2.605 20 5 EFBDHM COc1cc(CNCc2cc(C)cc(Cl)n2)c([N+](=O)[O-])cc1[O-] ZINC000281991678 273498706 /nfs/dbraw/zinc/49/87/06/273498706.db2.gz LJHHOUCCMDGGNG-UHFFFAOYSA-N -1 3 337.763 2.956 20 5 EFBDHM O=C([O-])C1(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCC1 ZINC000283793016 273760130 /nfs/dbraw/zinc/76/01/30/273760130.db2.gz FZTKOFROGVLGFU-UHFFFAOYSA-N -1 3 333.369 2.815 20 5 EFBDHM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000414453292 277173574 /nfs/dbraw/zinc/17/35/74/277173574.db2.gz MXZVEOCVOIRDAC-UHFFFAOYSA-N -1 3 326.296 2.690 20 5 EFBDHM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H]1C ZINC000340388902 277730728 /nfs/dbraw/zinc/73/07/28/277730728.db2.gz ASIGDCSJEYJYCC-BREBYQMCSA-N -1 3 330.381 2.837 20 5 EFBDHM C[C@@H]1CN(C(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c2ccccc2O1 ZINC000347915664 278693648 /nfs/dbraw/zinc/69/36/48/278693648.db2.gz NNCOVWCGJPYUGX-SNVBAGLBSA-N -1 3 338.323 2.899 20 5 EFBDHM Cc1ccc([O-])c(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000018077235 280918424 /nfs/dbraw/zinc/91/84/24/280918424.db2.gz OIUUOKAPQABAPU-UHFFFAOYSA-N -1 3 341.367 2.571 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000266187203 281260005 /nfs/dbraw/zinc/26/00/05/281260005.db2.gz BGLQGCMOZYHCDV-UHFFFAOYSA-N -1 3 341.367 2.571 20 5 EFBDHM CSc1ccc(C(=O)[N-]c2nc3ccccn3n2)cc1[N+](=O)[O-] ZINC000132937598 293242213 /nfs/dbraw/zinc/24/22/13/293242213.db2.gz XYLXCHZVKDBMCP-UHFFFAOYSA-N -1 3 329.341 2.612 20 5 EFBDHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)c1ccccc1[N+](=O)[O-] ZINC000134283929 293284457 /nfs/dbraw/zinc/28/44/57/293284457.db2.gz DKJYOBSBCHWMJV-UHFFFAOYSA-N -1 3 333.300 2.574 20 5 EFBDHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C)CO2 ZINC000152538273 293338151 /nfs/dbraw/zinc/33/81/51/293338151.db2.gz BJCNEQVUCIAYIM-ZDUSSCGKSA-N -1 3 348.380 2.624 20 5 EFBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]CCC(C)(F)F ZINC000294254576 295136107 /nfs/dbraw/zinc/13/61/07/295136107.db2.gz QITPAOKVQVATKQ-UHFFFAOYSA-N -1 3 342.751 2.880 20 5 EFBDHM CCC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC1 ZINC000295279991 295292157 /nfs/dbraw/zinc/29/21/57/295292157.db2.gz MPOXESUTTOWEEW-UHFFFAOYSA-N -1 3 349.206 2.578 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCc3occc32)c([N+](=O)[O-])c1 ZINC000101570632 301692231 /nfs/dbraw/zinc/69/22/31/301692231.db2.gz OAUKFRCQSPLDPZ-GFCCVEGCSA-N -1 3 336.369 2.852 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1c(F)cccc1F ZINC000055555345 302050881 /nfs/dbraw/zinc/05/08/81/302050881.db2.gz XJUFMVMKHUWJJQ-UHFFFAOYSA-N -1 3 328.296 2.982 20 5 EFBDHM CC(C)Cc1nnc([N-]C(=O)c2cc(F)cc([N+](=O)[O-])c2N)s1 ZINC000299152153 311056688 /nfs/dbraw/zinc/05/66/88/311056688.db2.gz QUOSHDDSLUHCQF-UHFFFAOYSA-N -1 3 339.352 2.618 20 5 EFBDHM Cc1[nH]nc(C(=O)[N-]c2nc3c(s2)CCCCCC3)c1[N+](=O)[O-] ZINC000299505394 311091455 /nfs/dbraw/zinc/09/14/55/311091455.db2.gz DXJWQCYHQDKTHH-UHFFFAOYSA-N -1 3 335.389 2.994 20 5 EFBDHM O=[N+]([O-])c1cnc(Sc2n[n-]c(-c3ccc4c(c3)CCC4)n2)nc1 ZINC000302147978 311180546 /nfs/dbraw/zinc/18/05/46/311180546.db2.gz JABMLLUMKPGYSS-UHFFFAOYSA-N -1 3 340.368 2.810 20 5 EFBDHM Cc1nc([N+](=O)[O-])c(-c2noc(/C=C/c3cccc([O-])c3)n2)n1C ZINC000350920916 311834554 /nfs/dbraw/zinc/83/45/54/311834554.db2.gz CKBUPLGXKQYLQY-VOTSOKGWSA-N -1 3 327.300 2.563 20 5 EFBDHM Cc1ccc(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])nc1C ZINC000416548652 312192389 /nfs/dbraw/zinc/19/23/89/312192389.db2.gz PTXIOTBSIHCRCA-UHFFFAOYSA-N -1 3 349.412 2.702 20 5 EFBDHM COc1cc(C)ccc1CN[C@@H](Cc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000417561355 312240305 /nfs/dbraw/zinc/24/03/05/312240305.db2.gz AYRZTFKUWRLGNM-HNNXBMFYSA-N -1 3 344.367 2.697 20 5 EFBDHM CC[C@@H](CCC(=O)[O-])NCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000417620687 312248486 /nfs/dbraw/zinc/24/84/86/312248486.db2.gz JIKICKDOSWNQAY-JTQLQIEISA-N -1 3 332.303 2.929 20 5 EFBDHM Cc1cc(N)cc(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1 ZINC000420462349 312368495 /nfs/dbraw/zinc/36/84/95/312368495.db2.gz VGZOIMNHXBOEEP-UHFFFAOYSA-N -1 3 349.412 2.581 20 5 EFBDHM Cc1cc(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cc(C)n1 ZINC000420697136 312385116 /nfs/dbraw/zinc/38/51/16/312385116.db2.gz IMWASDRSPCIYLX-UHFFFAOYSA-N -1 3 349.412 2.702 20 5 EFBDHM Cc1ccc(CN[C@H](Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(=O)[O-])o1 ZINC000426722459 312528009 /nfs/dbraw/zinc/52/80/09/312528009.db2.gz VTJSFLSJVIPDNL-MRXNPFEDSA-N -1 3 343.339 2.763 20 5 EFBDHM CCOC(=O)c1cc([N-]c2nc3sccn3c2[N+](=O)[O-])cn1C ZINC000471734228 313154452 /nfs/dbraw/zinc/15/44/52/313154452.db2.gz FVHHTIRXCOZUMV-UHFFFAOYSA-N -1 3 335.345 2.563 20 5 EFBDHM Cc1ccc(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cc1 ZINC000478156909 313249143 /nfs/dbraw/zinc/24/91/43/313249143.db2.gz YIKNXWZHZRAPSS-UHFFFAOYSA-N -1 3 334.397 2.999 20 5 EFBDHM COc1c(C(=O)[N-]c2cc(-c3ccccc3)on2)cccc1[N+](=O)[O-] ZINC000480121735 313279622 /nfs/dbraw/zinc/27/96/22/313279622.db2.gz WVRZMZNYGXQCGB-UHFFFAOYSA-N -1 3 339.307 2.933 20 5 EFBDHM Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000487073267 313362975 /nfs/dbraw/zinc/36/29/75/313362975.db2.gz PTMKUQLDAAGZHE-UHFFFAOYSA-N -1 3 339.311 2.646 20 5 EFBDHM Cc1cscc1C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000487391467 313389941 /nfs/dbraw/zinc/38/99/41/313389941.db2.gz JCHQAWWVUNGGTG-UHFFFAOYSA-N -1 3 326.399 2.752 20 5 EFBDHM Cc1ccoc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000490321405 313643290 /nfs/dbraw/zinc/64/32/90/313643290.db2.gz KCDUFQOQWLKGCE-UHFFFAOYSA-N -1 3 330.749 2.628 20 5 EFBDHM COC(=O)Nc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1[O-] ZINC000492048006 313857551 /nfs/dbraw/zinc/85/75/51/313857551.db2.gz QOXXDTUODCZEAK-UHFFFAOYSA-N -1 3 346.295 2.836 20 5 EFBDHM O=C(/C=C\c1cncc([O-])c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000492473399 314003419 /nfs/dbraw/zinc/00/34/19/314003419.db2.gz MRIQPUVXBUWSPP-BAQGIRSFSA-N -1 3 339.351 2.900 20 5 EFBDHM O=C(c1cc([O-])ccc1Cl)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000505375058 315455597 /nfs/dbraw/zinc/45/55/97/315455597.db2.gz LIMXSMYZSWISAF-UHFFFAOYSA-N -1 3 348.742 2.857 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C1(C)Cc2ccccc2C1 ZINC000507924430 315490518 /nfs/dbraw/zinc/49/05/18/315490518.db2.gz YGTPKYSPLILIBD-UHFFFAOYSA-N -1 3 346.408 2.739 20 5 EFBDHM O=C([N-]c1cc(F)c(F)cc1F)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000521511474 316028026 /nfs/dbraw/zinc/02/80/26/316028026.db2.gz LLLCQUYSCZJZBF-UHFFFAOYSA-N -1 3 340.213 2.993 20 5 EFBDHM CCc1ccccc1C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000525386554 316213292 /nfs/dbraw/zinc/21/32/92/316213292.db2.gz VTMWNPHOLYYVLM-UHFFFAOYSA-N -1 3 334.397 2.944 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)[N-]c2ncn(Cc3ccccc3)n2)c1 ZINC000525649414 316223745 /nfs/dbraw/zinc/22/37/45/316223745.db2.gz NNRDZGOARAXCAX-UHFFFAOYSA-N -1 3 337.339 2.795 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC(C2CC2)C2CC2)c1C ZINC000531939146 317334875 /nfs/dbraw/zinc/33/48/75/317334875.db2.gz ZZPOZVUESFBYNM-UHFFFAOYSA-N -1 3 338.429 2.926 20 5 EFBDHM Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000533963903 317528673 /nfs/dbraw/zinc/52/86/73/317528673.db2.gz DVPSZEHQMGXRIB-UHFFFAOYSA-N -1 3 340.133 2.654 20 5 EFBDHM Cc1[n-][nH]c(=O)c1CCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000535988389 317618859 /nfs/dbraw/zinc/61/88/59/317618859.db2.gz FMIZWXCBAOXSHZ-VIFPVBQESA-N -1 3 330.266 2.538 20 5 EFBDHM C[C@H](C(=O)N=c1cc2ccccn2[n-]1)c1ccc([N+](=O)[O-])cc1F ZINC000553331161 318279734 /nfs/dbraw/zinc/27/97/34/318279734.db2.gz YCJLETDRSAAGBR-JTQLQIEISA-N -1 3 328.303 2.546 20 5 EFBDHM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000555727447 318367278 /nfs/dbraw/zinc/36/72/78/318367278.db2.gz IMCSONLIFLTNDQ-SNVBAGLBSA-N -1 3 338.327 2.517 20 5 EFBDHM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000555727447 318367279 /nfs/dbraw/zinc/36/72/79/318367279.db2.gz IMCSONLIFLTNDQ-SNVBAGLBSA-N -1 3 338.327 2.517 20 5 EFBDHM CN(CCOc1ccccc1C(=O)[O-])CCc1cccc([N+](=O)[O-])c1 ZINC000566361185 319066757 /nfs/dbraw/zinc/06/67/57/319066757.db2.gz GXERGUUUHNNJTG-UHFFFAOYSA-N -1 3 344.367 2.846 20 5 EFBDHM C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2OCC[C@@H]2C(=O)[O-])CC1 ZINC000570729558 319507502 /nfs/dbraw/zinc/50/75/02/319507502.db2.gz NWWRVWABKDHIKA-DQYPLSBCSA-N -1 3 348.399 2.858 20 5 EFBDHM Cc1ncc(CN[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)c(=O)[n-]1 ZINC000576640952 320034939 /nfs/dbraw/zinc/03/49/39/320034939.db2.gz CKYAGTMKIWXNIC-GFCCVEGCSA-N -1 3 342.277 2.792 20 5 EFBDHM CN(C)[C@H](CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000577497380 320116442 /nfs/dbraw/zinc/11/64/42/320116442.db2.gz XKNGDIUXHVJFQG-CQSZACIVSA-N -1 3 348.334 2.542 20 5 EFBDHM Cc1ccc([C@@H](CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])N(C)C)cc1 ZINC000578536428 320215663 /nfs/dbraw/zinc/21/56/63/320215663.db2.gz CSVBFCQTYNZUBQ-OAHLLOKOSA-N -1 3 344.371 2.711 20 5 EFBDHM CC[C@H](CSC)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000181618021 323241544 /nfs/dbraw/zinc/24/15/44/323241544.db2.gz WJPRQUOYPZNJHE-LLVKDONJSA-N -1 3 332.447 2.632 20 5 EFBDHM Cc1nn(C)c(C(=O)[N-]c2cc(-c3ccccc3)on2)c1[N+](=O)[O-] ZINC000181894041 323253993 /nfs/dbraw/zinc/25/39/93/323253993.db2.gz KDLJZZIMIVBXQO-UHFFFAOYSA-N -1 3 327.300 2.544 20 5 EFBDHM C[C@@H](C(=O)NCc1ccc([O-])c(F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000183330043 323330181 /nfs/dbraw/zinc/33/01/81/323330181.db2.gz ZEYPQMOVUBDDSS-SECBINFHSA-N -1 3 336.294 2.999 20 5 EFBDHM Cn1nc(-c2cccs2)nc1[N-]C(=O)c1ccc([N+](=O)[O-])s1 ZINC000193217460 323486523 /nfs/dbraw/zinc/48/65/23/323486523.db2.gz XXYXYOIIGXPYCR-UHFFFAOYSA-N -1 3 335.370 2.766 20 5 EFBDHM CCN(CC)[C@H](CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])c1ccco1 ZINC000579963968 324069236 /nfs/dbraw/zinc/06/92/36/324069236.db2.gz LRMBELOJUXGEQC-CYBMUJFWSA-N -1 3 348.359 2.776 20 5 EFBDHM O=C(Nc1cc(Cc2ccccc2)ccc1[O-])c1c[nH]nc1[N+](=O)[O-] ZINC000580509401 324173677 /nfs/dbraw/zinc/17/36/77/324173677.db2.gz CIPSLXODIIFVDS-UHFFFAOYSA-N -1 3 338.323 2.867 20 5 EFBDHM O=C([O-])[C@H](c1ccccc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000582365467 324579413 /nfs/dbraw/zinc/57/94/13/324579413.db2.gz WILXEFDWJKVKJF-KRWDZBQOSA-N -1 3 341.367 2.543 20 5 EFBDHM O=C([O-])C1(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)CCCC1 ZINC000583476530 324817056 /nfs/dbraw/zinc/81/70/56/324817056.db2.gz NPTNGSIFPQJMOE-UHFFFAOYSA-N -1 3 344.314 2.931 20 5 EFBDHM Cc1nc(C)c(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)s1 ZINC000124660464 473281520 /nfs/dbraw/zinc/28/15/20/473281520.db2.gz UJCUOKABSCQGBL-UHFFFAOYSA-N -1 3 347.443 2.517 20 5 EFBDHM COCCC(C)(C)C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000185043984 473309313 /nfs/dbraw/zinc/30/93/13/473309313.db2.gz JWVMGWMLGFYUME-UHFFFAOYSA-N -1 3 344.433 2.553 20 5 EFBDHM Cc1[n-][nH]c(=O)c1CCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000611182191 469186577 /nfs/dbraw/zinc/18/65/77/469186577.db2.gz DLNOMPGTJPKVJZ-CYBMUJFWSA-N -1 3 339.355 2.581 20 5 EFBDHM CC[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000162661430 473367774 /nfs/dbraw/zinc/36/77/74/473367774.db2.gz LNHMFSGCAXCHEJ-ZETCQYMHSA-N -1 3 326.296 2.690 20 5 EFBDHM O=C1CCc2cc([N+](=O)[O-])c(NCc3ccc([O-])c(F)c3)cc2N1 ZINC000150923336 473380690 /nfs/dbraw/zinc/38/06/90/473380690.db2.gz ZOPMIQKIGCQDHH-UHFFFAOYSA-N -1 3 331.303 2.936 20 5 EFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](C)c1ccsc1 ZINC000619752176 479874152 /nfs/dbraw/zinc/87/41/52/479874152.db2.gz KVGOCAGORRDWEK-VIFPVBQESA-N -1 3 342.398 2.704 20 5 EFBDHM Cc1cccnc1C(C)(C)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000352579650 475432966 /nfs/dbraw/zinc/43/29/66/475432966.db2.gz VDJSCVVMMBKMFW-UHFFFAOYSA-N -1 3 349.412 2.554 20 5 EFBDHM Cc1nn(Cc2cc(=O)oc3c(C)c([O-])ccc23)c(C)c1[N+](=O)[O-] ZINC000007391608 471610952 /nfs/dbraw/zinc/61/09/52/471610952.db2.gz MIKJQRYWSUXTFZ-UHFFFAOYSA-N -1 3 329.312 2.577 20 5 EFBDHM O=C(Nc1ccccc1[O-])C1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000015141467 471892427 /nfs/dbraw/zinc/89/24/27/471892427.db2.gz MDAJOGKNBUKYDZ-UHFFFAOYSA-N -1 3 342.355 2.551 20 5 EFBDHM COc1cc(C(=O)Nc2ccc(C)cc2[O-])c([N+](=O)[O-])cc1OC ZINC000053576723 472021497 /nfs/dbraw/zinc/02/14/97/472021497.db2.gz GZDKSXUUJZXEDB-UHFFFAOYSA-N -1 3 332.312 2.878 20 5 EFBDHM C[C@@H](Cc1ccccc1F)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000053671340 472028721 /nfs/dbraw/zinc/02/87/21/472028721.db2.gz RZCVGBRSRXFDNW-NSHDSACASA-N -1 3 338.360 2.643 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1C[C@H]1c1cccc(F)c1 ZINC000067434737 472033524 /nfs/dbraw/zinc/03/35/24/472033524.db2.gz VNZMXLYJAFLVAT-STQMWFEESA-N -1 3 336.344 2.568 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1C[C@@H]1c1cccc(F)c1 ZINC000067434729 472033851 /nfs/dbraw/zinc/03/38/51/472033851.db2.gz VNZMXLYJAFLVAT-OLZOCXBDSA-N -1 3 336.344 2.568 20 5 EFBDHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])n1 ZINC000067951281 472114024 /nfs/dbraw/zinc/11/40/24/472114024.db2.gz CMZDHVYKVIITQZ-JTQLQIEISA-N -1 3 341.414 2.708 20 5 EFBDHM C[C@@H](CCc1ccco1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000055221148 472154739 /nfs/dbraw/zinc/15/47/39/472154739.db2.gz QPLLXQGUUYVKMP-JTQLQIEISA-N -1 3 342.348 2.627 20 5 EFBDHM Cc1cc2sc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)nc2c(C)c1 ZINC000028835450 472239764 /nfs/dbraw/zinc/23/97/64/472239764.db2.gz HYBUYMXEXICAMB-UHFFFAOYSA-N -1 3 344.352 2.762 20 5 EFBDHM Cc1ccsc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000056040496 472275030 /nfs/dbraw/zinc/27/50/30/472275030.db2.gz MDNXKPZJMLAMKS-UHFFFAOYSA-N -1 3 330.362 2.582 20 5 EFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccnc1 ZINC000029938778 472305886 /nfs/dbraw/zinc/30/58/86/472305886.db2.gz GVOLJNYEYMDTJQ-SECBINFHSA-N -1 3 341.776 2.683 20 5 EFBDHM Cc1ccc2c(c1)CC[C@H]2[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000057019650 472375425 /nfs/dbraw/zinc/37/54/25/472375425.db2.gz OQAIYDPYBOUPQJ-CQSZACIVSA-N -1 3 332.381 2.869 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(NCCCNC(=O)c2cccc([O-])c2)c1 ZINC000088718122 472381294 /nfs/dbraw/zinc/38/12/94/472381294.db2.gz IGABMWGMUHYESK-UHFFFAOYSA-N -1 3 329.356 2.841 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000032402249 472430315 /nfs/dbraw/zinc/43/03/15/472430315.db2.gz WHERFDXKOAXSMS-UHFFFAOYSA-N -1 3 328.390 2.605 20 5 EFBDHM CCOC(=O)c1csc([N-]C(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000070692042 472504522 /nfs/dbraw/zinc/50/45/22/472504522.db2.gz HNWKPCJLROGYDD-UHFFFAOYSA-N -1 3 327.343 2.542 20 5 EFBDHM O=c1[n-]c(SCc2c(Cl)cccc2[N+](=O)[O-])nc2[nH]ncc21 ZINC000155322166 472532409 /nfs/dbraw/zinc/53/24/09/472532409.db2.gz DHTICTYNKVEFAS-UHFFFAOYSA-N -1 3 337.748 2.500 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]CCCOC2CCCC2)c([N+](=O)[O-])c1 ZINC000101575628 472542012 /nfs/dbraw/zinc/54/20/12/472542012.db2.gz OQAVRBNEEFAODB-UHFFFAOYSA-N -1 3 342.417 2.531 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)Cc1cccs1 ZINC000058560753 472581482 /nfs/dbraw/zinc/58/14/82/472581482.db2.gz LHPVEUXLSGEAJM-LLVKDONJSA-N -1 3 340.426 2.874 20 5 EFBDHM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(Cl)o1 ZINC000103201891 472617723 /nfs/dbraw/zinc/61/77/23/472617723.db2.gz DSYVUQMUYTYWIR-UHFFFAOYSA-N -1 3 333.691 2.879 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccc(F)cc2)cc1C ZINC000060496455 472661861 /nfs/dbraw/zinc/66/18/61/472661861.db2.gz QBXFPYYUIVJSMZ-UHFFFAOYSA-N -1 3 338.360 2.829 20 5 EFBDHM Cc1cccc2c1CC[C@H]2[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000104753451 472690376 /nfs/dbraw/zinc/69/03/76/472690376.db2.gz RPQRKRQPESERNS-CQSZACIVSA-N -1 3 332.381 2.869 20 5 EFBDHM O=C([N-]O[C@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1Br ZINC000120467218 472693522 /nfs/dbraw/zinc/69/35/22/472693522.db2.gz HPXNCXWDRCECLX-NSHDSACASA-N -1 3 345.149 2.545 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1cc(F)cc(F)c1 ZINC000079262174 472838798 /nfs/dbraw/zinc/83/87/98/472838798.db2.gz WTPYYZZCADUKML-UHFFFAOYSA-N -1 3 342.323 2.660 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)c2cnccc2C)cc1[N+](=O)[O-] ZINC000613481865 480013262 /nfs/dbraw/zinc/01/32/62/480013262.db2.gz NPNAHWXYLFXYMU-VIFPVBQESA-N -1 3 341.414 2.708 20 5 EFBDHM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ncccc1[O-] ZINC000064721993 472872443 /nfs/dbraw/zinc/87/24/43/472872443.db2.gz CIQJFGQYSMNKJC-QMMMGPOBSA-N -1 3 337.719 2.755 20 5 EFBDHM Cc1sc2[n-]c(COc3ncc(C)cc3[N+](=O)[O-])nc(=O)c2c1C ZINC000157938470 472875770 /nfs/dbraw/zinc/87/57/70/472875770.db2.gz ZWFVVIFKQFNAKM-UHFFFAOYSA-N -1 3 346.368 2.792 20 5 EFBDHM CCOC(=O)C(C)(C)n1cc([N-]c2nccc(C)c2[N+](=O)[O-])cn1 ZINC000134149611 472879520 /nfs/dbraw/zinc/87/95/20/472879520.db2.gz TWYOKXRJTCFXBG-UHFFFAOYSA-N -1 3 333.348 2.537 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-]CCc2cccs2)cc1[N+](=O)[O-] ZINC000122842127 473065105 /nfs/dbraw/zinc/06/51/05/473065105.db2.gz PXTWZXXDHPTSNF-UHFFFAOYSA-N -1 3 332.428 2.547 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCCc3occc32)cc1[N+](=O)[O-] ZINC000123025633 473087939 /nfs/dbraw/zinc/08/79/39/473087939.db2.gz CGAKKFJRVNRDDX-JTQLQIEISA-N -1 3 342.398 2.914 20 5 EFBDHM COc1ccc(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)cc1[N+](=O)[O-] ZINC000160225037 473097888 /nfs/dbraw/zinc/09/78/88/473097888.db2.gz CEFOGAXRLHJPJO-UHFFFAOYSA-N -1 3 343.299 2.542 20 5 EFBDHM COc1ccc(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)cc1[N+](=O)[O-] ZINC000160225037 473097893 /nfs/dbraw/zinc/09/78/93/473097893.db2.gz CEFOGAXRLHJPJO-UHFFFAOYSA-N -1 3 343.299 2.542 20 5 EFBDHM COc1ccc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc1[N+](=O)[O-] ZINC000160225037 473097897 /nfs/dbraw/zinc/09/78/97/473097897.db2.gz CEFOGAXRLHJPJO-UHFFFAOYSA-N -1 3 343.299 2.542 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-]C[C@H]2Cc3ccccc32)cc1[N+](=O)[O-] ZINC000123254592 473117166 /nfs/dbraw/zinc/11/71/66/473117166.db2.gz MJDVNYIUWMHSKJ-LLVKDONJSA-N -1 3 338.410 2.583 20 5 EFBDHM COC(=O)c1cc([N-]C(=O)c2csc(C3CC3)n2)cc([N+](=O)[O-])c1 ZINC000136154026 473138844 /nfs/dbraw/zinc/13/88/44/473138844.db2.gz MJGDZBGTELYTNV-UHFFFAOYSA-N -1 3 347.352 2.968 20 5 EFBDHM O=C([N-]c1ncc(Cc2ccccc2F)s1)c1n[nH]cc1[N+](=O)[O-] ZINC000136426910 473158777 /nfs/dbraw/zinc/15/87/77/473158777.db2.gz QFPWXLXMDVEBGJ-UHFFFAOYSA-N -1 3 347.331 2.757 20 5 EFBDHM COCCc1ccccc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000190870158 473415227 /nfs/dbraw/zinc/41/52/27/473415227.db2.gz KTOIIPABGJASEY-UHFFFAOYSA-N -1 3 340.339 2.912 20 5 EFBDHM Cc1noc(C)c1[C@H](C)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000113947041 473426985 /nfs/dbraw/zinc/42/69/85/473426985.db2.gz PFNFLIFOYAJLAV-JTQLQIEISA-N -1 3 339.373 2.548 20 5 EFBDHM Cc1ccc([C@H](C)NC(=O)c2ccc3n[n-]nc3c2)cc1[N+](=O)[O-] ZINC000177849020 473443660 /nfs/dbraw/zinc/44/36/60/473443660.db2.gz OXLVBKZPVWUWFD-JTQLQIEISA-N -1 3 325.328 2.666 20 5 EFBDHM O=C(Nc1ccc(Br)cc1[O-])c1ccc([N+](=O)[O-])o1 ZINC000126047914 473481790 /nfs/dbraw/zinc/48/17/90/473481790.db2.gz XKLGDOICOOYTTM-UHFFFAOYSA-N -1 3 327.090 2.908 20 5 EFBDHM CC[C@@](C)([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000185834565 473527004 /nfs/dbraw/zinc/52/70/04/473527004.db2.gz DQLWJOGGQBGRSN-CYBMUJFWSA-N -1 3 341.414 2.655 20 5 EFBDHM C[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@@H](c1ccccc1)N(C)C ZINC000186477289 473679798 /nfs/dbraw/zinc/67/97/98/473679798.db2.gz OIONZOXLYMBHHJ-SJCJKPOMSA-N -1 3 343.383 2.722 20 5 EFBDHM CN(C)CCN(Cc1ccccc1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269274780 473758379 /nfs/dbraw/zinc/75/83/79/473758379.db2.gz IBZJBVPNVUNSAJ-UHFFFAOYSA-N -1 3 343.383 2.504 20 5 EFBDHM CC[C@@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1ccncc1 ZINC000173217224 473772594 /nfs/dbraw/zinc/77/25/94/473772594.db2.gz OMIOPHFABWIPPU-CYBMUJFWSA-N -1 3 335.385 2.728 20 5 EFBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccncc1 ZINC000173221363 473773642 /nfs/dbraw/zinc/77/36/42/473773642.db2.gz WONJEEAMMSIHEZ-ZDUSSCGKSA-N -1 3 339.348 2.559 20 5 EFBDHM CC(C)N(CC(=O)[O-])Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000263569781 473780132 /nfs/dbraw/zinc/78/01/32/473780132.db2.gz HSDXNWVCYGKTBY-UHFFFAOYSA-N -1 3 331.166 2.652 20 5 EFBDHM CCCOc1cc(F)ccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187188814 473833057 /nfs/dbraw/zinc/83/30/57/473833057.db2.gz CHTBAFZZPIBHNM-UHFFFAOYSA-N -1 3 335.291 2.876 20 5 EFBDHM O=c1[n-]cnc2c1CN(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC2 ZINC000269693511 473864741 /nfs/dbraw/zinc/86/47/41/473864741.db2.gz HQTIXOHTQCLYMW-UHFFFAOYSA-N -1 3 340.261 2.672 20 5 EFBDHM CCO[C@H](CC[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(C)C ZINC000173522154 473865082 /nfs/dbraw/zinc/86/50/82/473865082.db2.gz KQWGPVHIFPJXPS-CQSZACIVSA-N -1 3 344.433 2.633 20 5 EFBDHM O=C(Nc1cccc(Br)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187538242 473883840 /nfs/dbraw/zinc/88/38/40/473883840.db2.gz HSKBFVVKJDCXKI-UHFFFAOYSA-N -1 3 338.117 2.710 20 5 EFBDHM O=C([N-]O[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1Br ZINC000180555867 473904484 /nfs/dbraw/zinc/90/44/84/473904484.db2.gz FSQMCZAIOYIYEO-JTQLQIEISA-N -1 3 345.149 2.545 20 5 EFBDHM CCOc1ccc([N+](=O)[O-])cc1NC([O-])=NO[C@H]1CCCCO1 ZINC000281998538 473911983 /nfs/dbraw/zinc/91/19/83/473911983.db2.gz QEZZAEYKDYNFQO-ZDUSSCGKSA-N -1 3 325.321 2.573 20 5 EFBDHM CCOc1ccc([N+](=O)[O-])cc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000281998538 473911989 /nfs/dbraw/zinc/91/19/89/473911989.db2.gz QEZZAEYKDYNFQO-ZDUSSCGKSA-N -1 3 325.321 2.573 20 5 EFBDHM CCOc1ccc([N+](=O)[O-])cc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000281998533 473912521 /nfs/dbraw/zinc/91/25/21/473912521.db2.gz QEZZAEYKDYNFQO-CYBMUJFWSA-N -1 3 325.321 2.573 20 5 EFBDHM CCOc1ccc([N+](=O)[O-])cc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000281998533 473912526 /nfs/dbraw/zinc/91/25/26/473912526.db2.gz QEZZAEYKDYNFQO-CYBMUJFWSA-N -1 3 325.321 2.573 20 5 EFBDHM C[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@@H](c1ccccc1)N(C)C ZINC000274789416 473958775 /nfs/dbraw/zinc/95/87/75/473958775.db2.gz PRTBQSBMRHSYAX-PXAZEXFGSA-N -1 3 343.383 2.722 20 5 EFBDHM COc1cc(CNc2ccc(C(=O)N(C)C)cc2)c([N+](=O)[O-])cc1[O-] ZINC000195064443 473999877 /nfs/dbraw/zinc/99/98/77/473999877.db2.gz CPVBTVYRLUYXMP-UHFFFAOYSA-N -1 3 345.355 2.623 20 5 EFBDHM C[C@@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000288620291 474002256 /nfs/dbraw/zinc/00/22/56/474002256.db2.gz MEXBHQSUYOAAMW-MEDUHNTESA-N -1 3 348.380 2.536 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@@H]1CCCC(F)(F)C1 ZINC000282307118 474016776 /nfs/dbraw/zinc/01/67/76/474016776.db2.gz MNEQPNZGCSHOGO-SNVBAGLBSA-N -1 3 334.344 2.699 20 5 EFBDHM CN(C)CCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000181940010 474070789 /nfs/dbraw/zinc/07/07/89/474070789.db2.gz XDKJFVMCKUWTIS-UHFFFAOYSA-N -1 3 329.356 2.509 20 5 EFBDHM Cc1cccc(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1[O-] ZINC000188455255 474099542 /nfs/dbraw/zinc/09/95/42/474099542.db2.gz KRPBNBMSBRPSTB-UHFFFAOYSA-N -1 3 328.324 2.512 20 5 EFBDHM CCc1onc(C)c1[N-]C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000270416019 474109602 /nfs/dbraw/zinc/10/96/02/474109602.db2.gz MXADRMHQSYCPKR-UHFFFAOYSA-N -1 3 335.316 2.723 20 5 EFBDHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)s1 ZINC000175620390 474264728 /nfs/dbraw/zinc/26/47/28/474264728.db2.gz LFJYBBXYCKHXTK-JTQLQIEISA-N -1 3 341.414 2.708 20 5 EFBDHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000175631122 474269354 /nfs/dbraw/zinc/26/93/54/474269354.db2.gz SMVGGDWQSATVHU-SNVBAGLBSA-N -1 3 341.414 2.708 20 5 EFBDHM CC(C)(C(=O)Nc1nnc(C(F)(F)F)[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000265744725 474319868 /nfs/dbraw/zinc/31/98/68/474319868.db2.gz CNEKJHLQXCBSTD-UHFFFAOYSA-N -1 3 343.265 2.648 20 5 EFBDHM CC(C)(C(=O)Nc1nc(C(F)(F)F)n[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000265744725 474319875 /nfs/dbraw/zinc/31/98/75/474319875.db2.gz CNEKJHLQXCBSTD-UHFFFAOYSA-N -1 3 343.265 2.648 20 5 EFBDHM O=C(Nc1cc(-c2ccccc2)on1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000175869931 474329800 /nfs/dbraw/zinc/32/98/00/474329800.db2.gz ZYRPJBWETWIRAS-UHFFFAOYSA-N -1 3 326.268 2.603 20 5 EFBDHM COc1cccc(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c1[O-] ZINC000183740482 474421073 /nfs/dbraw/zinc/42/10/73/474421073.db2.gz HXCQYAVVXUFWCJ-UHFFFAOYSA-N -1 3 336.731 2.892 20 5 EFBDHM COc1ccc(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c([O-])c1 ZINC000183744289 474421186 /nfs/dbraw/zinc/42/11/86/474421186.db2.gz VDGICLUNAIKOQG-UHFFFAOYSA-N -1 3 336.731 2.892 20 5 EFBDHM Cn1ncc([N+](=O)[O-])c1[N-]C(=O)c1csc(-c2ccccc2)n1 ZINC000184409439 474511057 /nfs/dbraw/zinc/51/10/57/474511057.db2.gz WJEXXMPDIWFPEQ-UHFFFAOYSA-N -1 3 329.341 2.704 20 5 EFBDHM CSC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000176719918 474521035 /nfs/dbraw/zinc/52/10/35/474521035.db2.gz CNBOYDPTHKUGTL-MRVPVSSYSA-N -1 3 338.838 2.586 20 5 EFBDHM CCOC[C@@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(C)C ZINC000190187330 474561783 /nfs/dbraw/zinc/56/17/83/474561783.db2.gz SGJRQPCQXILGHF-CYBMUJFWSA-N -1 3 344.433 2.551 20 5 EFBDHM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c(CN(C)C)c1 ZINC000184783104 474605989 /nfs/dbraw/zinc/60/59/89/474605989.db2.gz DHXUMGKYLBBNPP-UHFFFAOYSA-N -1 3 329.356 2.923 20 5 EFBDHM COc1cc(CNCc2ccccc2N(C)C)c([N+](=O)[O-])cc1[O-] ZINC000267857413 474687540 /nfs/dbraw/zinc/68/75/40/474687540.db2.gz FNEASHUVMFKWTI-UHFFFAOYSA-N -1 3 331.372 2.665 20 5 EFBDHM CSCCO[N-]C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000292953520 474731941 /nfs/dbraw/zinc/73/19/41/474731941.db2.gz PWLZPELIYJREPW-UHFFFAOYSA-N -1 3 325.173 2.926 20 5 EFBDHM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)C(C)(C)C ZINC000609233828 480129446 /nfs/dbraw/zinc/12/94/46/480129446.db2.gz AFWLMQCFPGASKH-CYBMUJFWSA-N -1 3 330.406 2.706 20 5 EFBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)C(C)(C)C ZINC000609234461 480129508 /nfs/dbraw/zinc/12/95/08/480129508.db2.gz XSGRUEGWUADIGU-ZDUSSCGKSA-N -1 3 330.406 2.706 20 5 EFBDHM Cc1cc(N2CCc3nc[n-]c(=O)c3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000345088379 474879502 /nfs/dbraw/zinc/87/95/02/474879502.db2.gz CQGOKEKYZVXAFI-UHFFFAOYSA-N -1 3 337.339 2.510 20 5 EFBDHM COC(=O)C[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])C1CCCCC1 ZINC000339084680 474912307 /nfs/dbraw/zinc/91/23/07/474912307.db2.gz MFKXHYXVMMYUFL-HNNXBMFYSA-N -1 3 336.388 2.902 20 5 EFBDHM COc1ccc(C2([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000345122154 474912987 /nfs/dbraw/zinc/91/29/87/474912987.db2.gz DGPZHADGRBJKPG-UHFFFAOYSA-N -1 3 348.380 2.571 20 5 EFBDHM CCOC(=O)[C@@]1(C(C)C)CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339131744 474961748 /nfs/dbraw/zinc/96/17/48/474961748.db2.gz VQQSDRANRNBFAI-KRWDZBQOSA-N -1 3 336.388 2.712 20 5 EFBDHM CCCc1nc(C(=O)[N-]c2cc(C(=O)OC)cc([N+](=O)[O-])c2)co1 ZINC000273614297 474991649 /nfs/dbraw/zinc/99/16/49/474991649.db2.gz OTIGDHRLGYPHIS-UHFFFAOYSA-N -1 3 333.300 2.574 20 5 EFBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000339375709 475172223 /nfs/dbraw/zinc/17/22/23/475172223.db2.gz ZKPJLZVULDARGH-UHFFFAOYSA-N -1 3 344.751 2.866 20 5 EFBDHM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000341625483 475192183 /nfs/dbraw/zinc/19/21/83/475192183.db2.gz NEGPDRCCILHXFV-UHFFFAOYSA-N -1 3 330.344 2.505 20 5 EFBDHM CCOc1cc(NC([O-])=NOC(C)C)c([N+](=O)[O-])cc1OCC ZINC000296308949 475263506 /nfs/dbraw/zinc/26/35/06/475263506.db2.gz KTHFXIHLYNJJOV-UHFFFAOYSA-N -1 3 327.337 2.854 20 5 EFBDHM CCOc1cc(NC(=O)[N-]OC(C)C)c([N+](=O)[O-])cc1OCC ZINC000296308949 475263511 /nfs/dbraw/zinc/26/35/11/475263511.db2.gz KTHFXIHLYNJJOV-UHFFFAOYSA-N -1 3 327.337 2.854 20 5 EFBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C1(C(F)(F)F)CCC1 ZINC000354675277 475331336 /nfs/dbraw/zinc/33/13/36/475331336.db2.gz NJVHRPBLCOGPPU-UHFFFAOYSA-N -1 3 338.307 2.667 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]Cc2cc3ccccc3[nH]2)c([N+](=O)[O-])c1 ZINC000337758613 475300096 /nfs/dbraw/zinc/30/00/96/475300096.db2.gz UZWAVSQRVKNGBO-UHFFFAOYSA-N -1 3 345.380 2.863 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1C[C@H](C)C[C@@H](C)C1 ZINC000352472873 475328339 /nfs/dbraw/zinc/32/83/39/475328339.db2.gz LMNGMGRSUSSFPE-GHMZBOCLSA-N -1 3 342.417 2.706 20 5 EFBDHM COC(=O)c1cc(F)cc([N-]C(=O)c2ccccc2[N+](=O)[O-])c1F ZINC000358025291 475343896 /nfs/dbraw/zinc/34/38/96/475343896.db2.gz SRKIHEWPKPUKQK-UHFFFAOYSA-N -1 3 336.250 2.912 20 5 EFBDHM CC(C)Cc1ncc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cn1 ZINC000352501836 475356841 /nfs/dbraw/zinc/35/68/41/475356841.db2.gz QGKGFQHANUCURI-UHFFFAOYSA-N -1 3 340.343 2.712 20 5 EFBDHM CC(C)(NC(=O)c1ccc2n[n-]nc2c1)c1ccccc1[N+](=O)[O-] ZINC000345774330 475439401 /nfs/dbraw/zinc/43/94/01/475439401.db2.gz JETZBCZPGHYKON-UHFFFAOYSA-N -1 3 325.328 2.531 20 5 EFBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1coc(C2CCOCC2)n1 ZINC000337943223 475448520 /nfs/dbraw/zinc/44/85/20/475448520.db2.gz AKTUFTRHBCLAQW-UHFFFAOYSA-N -1 3 335.291 2.868 20 5 EFBDHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000354843943 475455291 /nfs/dbraw/zinc/45/52/91/475455291.db2.gz WDZCANMVDNHDPC-UHFFFAOYSA-N -1 3 349.310 2.509 20 5 EFBDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000354843943 475455300 /nfs/dbraw/zinc/45/53/00/475455300.db2.gz WDZCANMVDNHDPC-UHFFFAOYSA-N -1 3 349.310 2.509 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-]CC2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000352720569 475562594 /nfs/dbraw/zinc/56/25/94/475562594.db2.gz USQGXDSGJAJAFK-UHFFFAOYSA-N -1 3 342.417 2.708 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000348315614 475584693 /nfs/dbraw/zinc/58/46/93/475584693.db2.gz UJFOWXSQUWACOS-AWEZNQCLSA-N -1 3 346.408 2.912 20 5 EFBDHM COc1cc(CNc2ccc3oc(=O)[nH]c3c2)c([N+](=O)[O-])cc1[O-] ZINC000352778309 475615712 /nfs/dbraw/zinc/61/57/12/475615712.db2.gz GNWJJBDKYLXOKK-UHFFFAOYSA-N -1 3 331.284 2.768 20 5 EFBDHM COc1ccc([O-])c(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000338143859 475624432 /nfs/dbraw/zinc/62/44/32/475624432.db2.gz QKWCEACOEWKNBY-UHFFFAOYSA-N -1 3 330.340 2.624 20 5 EFBDHM COc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(OC)c1[O-] ZINC000338184692 475658363 /nfs/dbraw/zinc/65/83/63/475658363.db2.gz PGYMTWRKHSBCGN-UHFFFAOYSA-N -1 3 332.312 2.878 20 5 EFBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1csc(-c2cnccn2)n1 ZINC000342972248 475664807 /nfs/dbraw/zinc/66/48/07/475664807.db2.gz OWZXEBPSNDXOAH-UHFFFAOYSA-N -1 3 345.315 2.900 20 5 EFBDHM CCCCn1cc(CNCc2cc(OC)c([O-])cc2[N+](=O)[O-])c(C)n1 ZINC000358498525 475726054 /nfs/dbraw/zinc/72/60/54/475726054.db2.gz COVQBIARBADJAD-UHFFFAOYSA-N -1 3 348.403 2.904 20 5 EFBDHM O=C(N=c1cc(-c2cccnc2)[n-][nH]1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000355239201 475770232 /nfs/dbraw/zinc/77/02/32/475770232.db2.gz NSSLOVRCOACGPK-UHFFFAOYSA-N -1 3 348.322 2.535 20 5 EFBDHM CCc1cnccc1[C@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000358579503 475783759 /nfs/dbraw/zinc/78/37/59/475783759.db2.gz BGRYYYAGXXMRIR-NSHDSACASA-N -1 3 335.385 2.592 20 5 EFBDHM O=[N+]([O-])c1ccc2[nH]c(CNCc3c(F)ccc([O-])c3F)nc2c1 ZINC000353232689 475790399 /nfs/dbraw/zinc/79/03/99/475790399.db2.gz OMMOLLMMAWBMNK-UHFFFAOYSA-N -1 3 334.282 2.745 20 5 EFBDHM NC(=O)c1ccc(F)c([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000343212367 475858604 /nfs/dbraw/zinc/85/86/04/475858604.db2.gz OGZLTSAUBKUASZ-UHFFFAOYSA-N -1 3 343.270 2.831 20 5 EFBDHM COc1cc(CNc2ccc(OC(F)F)nc2)c([N+](=O)[O-])cc1[O-] ZINC000338474810 475940847 /nfs/dbraw/zinc/94/08/47/475940847.db2.gz SHRUYZHWBRBXAD-UHFFFAOYSA-N -1 3 341.270 2.918 20 5 EFBDHM Cc1ccc(F)cc1-c1nnc([N-]C(=O)c2cc([N+](=O)[O-])n[nH]2)s1 ZINC000355445683 475945739 /nfs/dbraw/zinc/94/57/39/475945739.db2.gz PEBPCZOJPLHSQG-UHFFFAOYSA-N -1 3 348.319 2.536 20 5 EFBDHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000353418881 475953193 /nfs/dbraw/zinc/95/31/93/475953193.db2.gz NNQBUXKVRGXEJN-UHFFFAOYSA-N -1 3 326.287 2.798 20 5 EFBDHM COCc1nc(C)c(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)s1 ZINC000340349021 475969569 /nfs/dbraw/zinc/96/95/69/475969569.db2.gz CVJNCYONIDZKII-UHFFFAOYSA-N -1 3 325.321 2.898 20 5 EFBDHM CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000338553084 476006317 /nfs/dbraw/zinc/00/63/17/476006317.db2.gz JMPFYPBQJJDISD-UHFFFAOYSA-N -1 3 334.303 2.768 20 5 EFBDHM O=C(Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)Nc1ccccc1[O-] ZINC000358922020 476043396 /nfs/dbraw/zinc/04/33/96/476043396.db2.gz KKDFRBKDWCCHNT-UHFFFAOYSA-N -1 3 338.323 2.803 20 5 EFBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(CN(C)C)cc2)cc1[N+](=O)[O-] ZINC000340636693 476170480 /nfs/dbraw/zinc/17/04/80/476170480.db2.gz VYZZAAZKDOAEGK-UHFFFAOYSA-N -1 3 349.412 2.766 20 5 EFBDHM O=C([N-]c1cc(-c2nc[nH]n2)ccc1F)c1ccc([N+](=O)[O-])s1 ZINC000344315230 476242500 /nfs/dbraw/zinc/24/25/00/476242500.db2.gz YHWMBSHPNYUMMC-UHFFFAOYSA-N -1 3 333.304 2.833 20 5 EFBDHM Cc1cc(N2CCc3nc[n-]c(=O)c3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000340769753 476261357 /nfs/dbraw/zinc/26/13/57/476261357.db2.gz CXDKXHZQOLFGKG-UHFFFAOYSA-N -1 3 337.339 2.510 20 5 EFBDHM Cc1cc(-c2noc(Cc3c(C)nc(C)[n-]c3=O)n2)cc([N+](=O)[O-])c1 ZINC000351142716 476346535 /nfs/dbraw/zinc/34/65/35/476346535.db2.gz FEYKGEZTMRTDAD-UHFFFAOYSA-N -1 3 341.327 2.656 20 5 EFBDHM CCc1ocnc1C(=O)[N-]c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000354280830 476558011 /nfs/dbraw/zinc/55/80/11/476558011.db2.gz IATLMDLSDYIVMG-UHFFFAOYSA-N -1 3 327.243 2.999 20 5 EFBDHM O=C(Nc1nnc(-c2c(F)cccc2F)[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000377944528 476649595 /nfs/dbraw/zinc/64/95/95/476649595.db2.gz ADKRZEGAYXLOPL-UHFFFAOYSA-N -1 3 345.265 2.910 20 5 EFBDHM O=C(Nc1nc(-c2c(F)cccc2F)n[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000377944528 476649601 /nfs/dbraw/zinc/64/96/01/476649601.db2.gz ADKRZEGAYXLOPL-UHFFFAOYSA-N -1 3 345.265 2.910 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000354484846 476683391 /nfs/dbraw/zinc/68/33/91/476683391.db2.gz BEDJNMJWVQFBOK-GMXVVIOVSA-N -1 3 342.417 2.706 20 5 EFBDHM CC1(C)CCc2sc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)nc21 ZINC000421936915 476701290 /nfs/dbraw/zinc/70/12/90/476701290.db2.gz BLYMCCCTKQYWPE-UHFFFAOYSA-N -1 3 334.357 2.628 20 5 EFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H]2CCC(F)(F)C2)c1[N+](=O)[O-] ZINC000429914942 476714983 /nfs/dbraw/zinc/71/49/83/476714983.db2.gz WBVHSANJKZGCSS-NSHDSACASA-N -1 3 348.371 2.925 20 5 EFBDHM COc1ccc2cc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)ccc2n1 ZINC000445177619 476733019 /nfs/dbraw/zinc/73/30/19/476733019.db2.gz WSLFHMIMYISAAX-UHFFFAOYSA-N -1 3 340.295 2.505 20 5 EFBDHM C[C@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000390539247 476796495 /nfs/dbraw/zinc/79/64/95/476796495.db2.gz KUSZLNGJZQDXQU-GFCCVEGCSA-N -1 3 344.371 2.620 20 5 EFBDHM C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1[O-])N(C)Cc1ccccc1 ZINC000390756533 476798478 /nfs/dbraw/zinc/79/84/78/476798478.db2.gz HZNLJFJTIYLQSG-CYBMUJFWSA-N -1 3 343.383 2.551 20 5 EFBDHM CC(C)C[C@@H](CN1CCCC1)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000452343560 476925073 /nfs/dbraw/zinc/92/50/73/476925073.db2.gz LLINCVZFFFXPPD-AWEZNQCLSA-N -1 3 335.404 2.541 20 5 EFBDHM CC(C)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416363820 477146844 /nfs/dbraw/zinc/14/68/44/477146844.db2.gz RUAYZPHHBXGUOP-UHFFFAOYSA-N -1 3 326.296 2.548 20 5 EFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccco2)c1[N+](=O)[O-] ZINC000416649818 477250156 /nfs/dbraw/zinc/25/01/56/477250156.db2.gz JIZAZGXJPGYINK-VXGBXAGGSA-N -1 3 336.369 2.639 20 5 EFBDHM COCC1(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)CCCC1 ZINC000411751211 477354948 /nfs/dbraw/zinc/35/49/48/477354948.db2.gz AOXKNDKCQAOSAI-UHFFFAOYSA-N -1 3 344.371 2.552 20 5 EFBDHM CN(CCCNC(=O)c1cc([N+](=O)[O-])ccc1[O-])Cc1ccccc1 ZINC000436675473 477553176 /nfs/dbraw/zinc/55/31/76/477553176.db2.gz ZBOUNLWLQQNDAQ-UHFFFAOYSA-N -1 3 343.383 2.552 20 5 EFBDHM CCN(CCN1CCCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436794549 477590203 /nfs/dbraw/zinc/59/02/03/477590203.db2.gz BSMUBAAWDKBQNL-UHFFFAOYSA-N -1 3 335.404 2.639 20 5 EFBDHM CC(C)Nc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)CCCCF ZINC000451095698 477821103 /nfs/dbraw/zinc/82/11/03/477821103.db2.gz MNMCRZYDHUIMIL-UHFFFAOYSA-N -1 3 333.385 2.907 20 5 EFBDHM CN(C)CCc1ccccc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000438559583 477864607 /nfs/dbraw/zinc/86/46/07/477864607.db2.gz AWPZDJJPARHPPA-UHFFFAOYSA-N -1 3 329.356 2.657 20 5 EFBDHM CN(C)CCc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000438571764 477864978 /nfs/dbraw/zinc/86/49/78/477864978.db2.gz MTCQEIJGGHWCTK-UHFFFAOYSA-N -1 3 329.356 2.657 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1C[C@@H]1Cc1ccccc1 ZINC000462502971 477905297 /nfs/dbraw/zinc/90/52/97/477905297.db2.gz POKLUACNSUQVBE-LSDHHAIUSA-N -1 3 346.408 2.813 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)c2cncs2)c1C ZINC000439199048 477941821 /nfs/dbraw/zinc/94/18/21/477941821.db2.gz FAAKHBWPVAGFLN-JTQLQIEISA-N -1 3 341.414 2.708 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000559140615 477960218 /nfs/dbraw/zinc/96/02/18/477960218.db2.gz JSOCPDYBPBJREE-GJZGRUSLSA-N -1 3 346.408 2.985 20 5 EFBDHM O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])NCc1cccc(F)c1F ZINC000516946467 478019014 /nfs/dbraw/zinc/01/90/14/478019014.db2.gz IHQFUNYGCQIMAF-ZDUSSCGKSA-N -1 3 336.294 2.659 20 5 EFBDHM CC(=O)c1cccc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)c1[O-] ZINC000560551542 478109137 /nfs/dbraw/zinc/10/91/37/478109137.db2.gz ZJTZRVGNNBXBOD-UHFFFAOYSA-N -1 3 328.324 2.993 20 5 EFBDHM Cc1c(Cl)cc(S(=O)(=O)[N-]C2CC(C)(F)C2)cc1[N+](=O)[O-] ZINC000451627304 478132849 /nfs/dbraw/zinc/13/28/49/478132849.db2.gz BZDIZTDDSOMFEO-UHFFFAOYSA-N -1 3 336.772 2.726 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-]C[C@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC000451819872 478216107 /nfs/dbraw/zinc/21/61/07/478216107.db2.gz BXZRNDWJAVADEH-MRVPVSSYSA-N -1 3 340.373 2.678 20 5 EFBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc2ccccc2c2cccnc12 ZINC000522253842 478382180 /nfs/dbraw/zinc/38/21/80/478382180.db2.gz RSVADEBHUZVJLY-AWEZNQCLSA-N -1 3 346.390 2.630 20 5 EFBDHM CC[C@H]1CN(C)CCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000597603436 478428068 /nfs/dbraw/zinc/42/80/68/478428068.db2.gz BUYRHPWJZFLMDD-NSHDSACASA-N -1 3 341.795 2.510 20 5 EFBDHM CCN=c1[n-]c(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cs1 ZINC000597688379 478464567 /nfs/dbraw/zinc/46/45/67/478464567.db2.gz NACYTPMDMNCMLV-UHFFFAOYSA-N -1 3 334.401 2.570 20 5 EFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H](C)CCC(C)C)cc1[N+](=O)[O-] ZINC000491197685 478467384 /nfs/dbraw/zinc/46/73/84/478467384.db2.gz FNPYCGPQIRQARW-SNVBAGLBSA-N -1 3 348.396 2.846 20 5 EFBDHM C[C@@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@]1(C)C(=O)[O-] ZINC000582127828 478517970 /nfs/dbraw/zinc/51/79/70/478517970.db2.gz KVLAXFVMYPQQPT-DIFFPNOSSA-N -1 3 345.355 2.792 20 5 EFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@]1(C)CCCC[C@H]1C ZINC000591329440 478524573 /nfs/dbraw/zinc/52/45/73/478524573.db2.gz IYBXTPQHDXZROX-ABAIWWIYSA-N -1 3 342.417 2.851 20 5 EFBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]CC1CCCC1 ZINC000594745440 478528136 /nfs/dbraw/zinc/52/81/36/478528136.db2.gz HVCBXDZXOQIIEY-UHFFFAOYSA-N -1 3 335.385 2.612 20 5 EFBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-][C@H]1CC=CCC1 ZINC000594753021 478531483 /nfs/dbraw/zinc/53/14/83/478531483.db2.gz HCNQCLXWZVDTNS-NSHDSACASA-N -1 3 333.369 2.530 20 5 EFBDHM CCCOc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1OC ZINC000600836755 478539022 /nfs/dbraw/zinc/53/90/22/478539022.db2.gz DQLIFJBLGSQTQH-UHFFFAOYSA-N -1 3 347.327 2.745 20 5 EFBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000594784166 478539526 /nfs/dbraw/zinc/53/95/26/478539526.db2.gz NSLZSXFDLHOSBY-SCDSUCTJSA-N -1 3 347.396 2.610 20 5 EFBDHM CC(C)[C@@]1(C)C[C@@H]1[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594783525 478539836 /nfs/dbraw/zinc/53/98/36/478539836.db2.gz KFQSTAFTNLOPOS-GOEBONIOSA-N -1 3 349.412 2.856 20 5 EFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CCc2ccccc21 ZINC000594844275 478559368 /nfs/dbraw/zinc/55/93/68/478559368.db2.gz KYRROQVRBGLVIQ-CYBMUJFWSA-N -1 3 348.380 2.569 20 5 EFBDHM CC(C)(F)CC[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594853885 478561877 /nfs/dbraw/zinc/56/18/77/478561877.db2.gz YWRXFOWOELHJEK-UHFFFAOYSA-N -1 3 341.364 2.560 20 5 EFBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])C1CC1 ZINC000594858047 478562567 /nfs/dbraw/zinc/56/25/67/478562567.db2.gz NWEHDCJAVUVTSZ-GFCCVEGCSA-N -1 3 335.385 2.610 20 5 EFBDHM CN(CCCN(C)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1)Cc1ccco1 ZINC000571448928 478599202 /nfs/dbraw/zinc/59/92/02/478599202.db2.gz BTQJLFUELJXVQD-UHFFFAOYSA-N -1 3 347.371 2.844 20 5 EFBDHM Cc1ccc([C@@H](CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])N(C)C)cc1 ZINC000571565406 478626935 /nfs/dbraw/zinc/62/69/35/478626935.db2.gz IFNDIKGDZQKRAW-OAHLLOKOSA-N -1 3 344.371 2.711 20 5 EFBDHM CC1(c2ccccc2)CC([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000542692145 478674449 /nfs/dbraw/zinc/67/44/49/478674449.db2.gz TVDPSAKXZRIKGW-UHFFFAOYSA-N -1 3 346.408 2.993 20 5 EFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2CCC[C@@H](F)C2)c1[N+](=O)[O-] ZINC000592062517 478760704 /nfs/dbraw/zinc/76/07/04/478760704.db2.gz KHSGCGVKGIHQOY-NEPJUHHUSA-N -1 3 330.381 2.771 20 5 EFBDHM Cc1ccc(C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c(C)c1 ZINC000507434332 478920826 /nfs/dbraw/zinc/92/08/26/478920826.db2.gz HOHYFBLBTQVLKB-UHFFFAOYSA-N -1 3 334.397 2.999 20 5 EFBDHM C[C@@H]1CCC[C@@H](C)N1CCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000592972142 479111611 /nfs/dbraw/zinc/11/16/11/479111611.db2.gz TVNYQJVRSZFSKF-CHWSQXEVSA-N -1 3 335.404 2.897 20 5 EFBDHM CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000515100141 479118711 /nfs/dbraw/zinc/11/87/11/479118711.db2.gz JIWBYJYYAHGAPN-WCQYABFASA-N -1 3 342.417 2.851 20 5 EFBDHM CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000515100142 479118929 /nfs/dbraw/zinc/11/89/29/479118929.db2.gz JIWBYJYYAHGAPN-YPMHNXCESA-N -1 3 342.417 2.851 20 5 EFBDHM Cc1cc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)c([N+](=O)[O-])s1 ZINC000596076363 479123737 /nfs/dbraw/zinc/12/37/37/479123737.db2.gz OMHRADMWJVHCSV-UHFFFAOYSA-N -1 3 347.396 2.633 20 5 EFBDHM O=c1[n-]ccc(NCC2(c3ccc(F)cc3)CCOCC2)c1[N+](=O)[O-] ZINC000596086270 479129263 /nfs/dbraw/zinc/12/92/63/479129263.db2.gz YCYFDCIHUJSJDN-UHFFFAOYSA-N -1 3 347.346 2.995 20 5 EFBDHM CN(c1ccccc1)C1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596118687 479148651 /nfs/dbraw/zinc/14/86/51/479148651.db2.gz AIRAGTVPVOIXMC-UHFFFAOYSA-N -1 3 328.372 2.801 20 5 EFBDHM O=c1[n-]ccc(N[C@H]2CCN(c3ccc(F)cc3F)C2)c1[N+](=O)[O-] ZINC000596123223 479151714 /nfs/dbraw/zinc/15/17/14/479151714.db2.gz LTIHPTFYDAAZBQ-JTQLQIEISA-N -1 3 336.298 2.664 20 5 EFBDHM CCN(Cc1c([O-])c(C)ncc1CO)c1cc(C)ccc1[N+](=O)[O-] ZINC000599089619 479157524 /nfs/dbraw/zinc/15/75/24/479157524.db2.gz GGYMFXSYOOZBTJ-UHFFFAOYSA-N -1 3 331.372 2.831 20 5 EFBDHM CCN(Cc1c([O-])c(C)ncc1CO)c1ccc([N+](=O)[O-])c(C)c1 ZINC000599090217 479158264 /nfs/dbraw/zinc/15/82/64/479158264.db2.gz KKPRWRIJMIVXLH-UHFFFAOYSA-N -1 3 331.372 2.831 20 5 EFBDHM CC(C)(CO)[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC000596169370 479177361 /nfs/dbraw/zinc/17/73/61/479177361.db2.gz IFANLSXIQQNDMI-ZDUSSCGKSA-N -1 3 331.372 2.910 20 5 EFBDHM COc1cc2c(cc1CNc1cc[n-]c(=O)c1[N+](=O)[O-])O[C@@H](C)C2 ZINC000596170738 479178116 /nfs/dbraw/zinc/17/81/16/479178116.db2.gz WSXTVPHTNQDHKS-VIFPVBQESA-N -1 3 331.328 2.640 20 5 EFBDHM O=c1[n-]ccc(N[C@@H]2CCCN(c3ccccc3F)C2)c1[N+](=O)[O-] ZINC000596180260 479184183 /nfs/dbraw/zinc/18/41/83/479184183.db2.gz RDEHKPGWDBXCGF-LLVKDONJSA-N -1 3 332.335 2.915 20 5 EFBDHM Cc1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])c(N2CCCC2)n1 ZINC000596187773 479189029 /nfs/dbraw/zinc/18/90/29/479189029.db2.gz XQQJXSIEXKOSMI-UHFFFAOYSA-N -1 3 329.360 2.611 20 5 EFBDHM COC(=O)[C@H](C)Cc1ccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000596191748 479190055 /nfs/dbraw/zinc/19/00/55/479190055.db2.gz DSWVZSQRBPGVNP-SNVBAGLBSA-N -1 3 331.328 2.791 20 5 EFBDHM O=c1[n-]ccc(N2CCO[C@@H](c3cccc(Cl)c3)C2)c1[N+](=O)[O-] ZINC000596195305 479192268 /nfs/dbraw/zinc/19/22/68/479192268.db2.gz MANYNRIGYWIACT-CYBMUJFWSA-N -1 3 335.747 2.927 20 5 EFBDHM CCO[C@@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])[C@@H]1Oc1ccccc1 ZINC000596201358 479196524 /nfs/dbraw/zinc/19/65/24/479196524.db2.gz ZWIMFCUCOZVBRA-FMKPAKJESA-N -1 3 345.355 2.732 20 5 EFBDHM C[C@H](O)[C@](C)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])Cc1ccccc1 ZINC000596205635 479197904 /nfs/dbraw/zinc/19/79/04/479197904.db2.gz BZJJGMFEONSKKF-SJCJKPOMSA-N -1 3 331.372 2.737 20 5 EFBDHM COc1cc2c(cc1Cl)CN(c1cc[n-]c(=O)c1[N+](=O)[O-])CC2 ZINC000596248817 479222866 /nfs/dbraw/zinc/22/28/66/479222866.db2.gz ZYVKYVGXBHXYBM-UHFFFAOYSA-N -1 3 335.747 2.920 20 5 EFBDHM O=c1[n-]ccc(N2CCC3(CC2)OCCc2ccccc23)c1[N+](=O)[O-] ZINC000596265898 479230514 /nfs/dbraw/zinc/23/05/14/479230514.db2.gz OXDBXGVINHJLOW-UHFFFAOYSA-N -1 3 341.367 2.764 20 5 EFBDHM O=C(Nc1ccc2c(cnn2C(F)F)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000610967066 479245903 /nfs/dbraw/zinc/24/59/03/479245903.db2.gz UNPSPBDXUBQNQP-UHFFFAOYSA-N -1 3 349.253 2.693 20 5 EFBDHM COC(=O)c1cc([N-]C(=O)c2conc2C(C)C)cc([N+](=O)[O-])c1 ZINC000599532065 479323669 /nfs/dbraw/zinc/32/36/69/479323669.db2.gz XSYGFCNLCSILEE-UHFFFAOYSA-N -1 3 333.300 2.745 20 5 EFBDHM Cc1ccncc1[C@@H](C)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000611292160 479339591 /nfs/dbraw/zinc/33/95/91/479339591.db2.gz YTTYASYWOJLKJE-CYBMUJFWSA-N -1 3 349.412 2.955 20 5 EFBDHM Cc1cc(OCCOc2ccccc2[N+](=O)[O-])cc2occ([O-])c21 ZINC000603677747 479419507 /nfs/dbraw/zinc/41/95/07/479419507.db2.gz GHYFQADOEYNDSV-UHFFFAOYSA-N -1 3 329.308 2.936 20 5 EFBDHM CC(C)N(CCC(=O)[O-])Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000593745802 479445065 /nfs/dbraw/zinc/44/50/65/479445065.db2.gz CKPGFAADCXCXRT-UHFFFAOYSA-N -1 3 333.344 2.935 20 5 EFBDHM COc1cc(CN2CCC[C@H](C(C)(C)C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000593748532 479445888 /nfs/dbraw/zinc/44/58/88/479445888.db2.gz PPPOJCXJZUOPQQ-ZDUSSCGKSA-N -1 3 336.388 2.926 20 5 EFBDHM COc1cc(CN2CCC[C@@H](C(C)(C)C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000593748530 479446117 /nfs/dbraw/zinc/44/61/17/479446117.db2.gz PPPOJCXJZUOPQQ-CYBMUJFWSA-N -1 3 336.388 2.926 20 5 EFBDHM COc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1[N+](=O)[O-] ZINC000611889906 479516427 /nfs/dbraw/zinc/51/64/27/479516427.db2.gz GAOFBCYVDLAZIJ-UHFFFAOYSA-N -1 3 339.307 2.697 20 5 EFBDHM COc1ccc(NC(=O)c2cnc3ccccc3c2[O-])cc1[N+](=O)[O-] ZINC000611889906 479516435 /nfs/dbraw/zinc/51/64/35/479516435.db2.gz GAOFBCYVDLAZIJ-UHFFFAOYSA-N -1 3 339.307 2.697 20 5 EFBDHM C[C@@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000604431873 479517832 /nfs/dbraw/zinc/51/78/32/479517832.db2.gz VXSGKOSISDYIEJ-GHMZBOCLSA-N -1 3 330.381 2.839 20 5 EFBDHM Cc1ccsc1C[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000590591697 479664966 /nfs/dbraw/zinc/66/49/66/479664966.db2.gz REHZNBGFMNQJKR-UHFFFAOYSA-N -1 3 344.389 2.891 20 5 EFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000619483485 479807371 /nfs/dbraw/zinc/80/73/71/479807371.db2.gz FVFVOZVRAMZYOH-IJLUTSLNSA-N -1 3 342.417 2.706 20 5 EFBDHM COc1ccc([C@@H](CC(=O)[O-])NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000617339728 480171807 /nfs/dbraw/zinc/17/18/07/480171807.db2.gz JATABEXEFPKNFM-MRXNPFEDSA-N -1 3 330.340 2.909 20 5 EFBDHM C[C@@]1(c2ccccc2)C[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000610265617 480265719 /nfs/dbraw/zinc/26/57/19/480265719.db2.gz WWIIAAJTVCRSNW-CVEARBPZSA-N -1 3 332.381 2.603 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1C[C@@]1(C)c1ccccc1 ZINC000610265533 480265895 /nfs/dbraw/zinc/26/58/95/480265895.db2.gz RNJJCMXIOWEOPB-WBVHZDCISA-N -1 3 346.408 2.912 20 5 EFBDHM CCS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000176898148 521731878 /nfs/dbraw/zinc/73/18/78/521731878.db2.gz KOEUODUHTGZIJX-RYUDHWBXSA-N -1 3 344.458 2.937 20 5 EFBDHM Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1-c1ncco1 ZINC000150944731 525232563 /nfs/dbraw/zinc/23/25/63/525232563.db2.gz JDFPWWMTROBKDP-UHFFFAOYSA-N -1 3 340.295 2.911 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2cccc(F)c2)c1C ZINC000119602022 526066103 /nfs/dbraw/zinc/06/61/03/526066103.db2.gz RZBZRYGXZBJELE-UHFFFAOYSA-N -1 3 338.360 2.829 20 5 EFBDHM CSc1cccc(C(=O)[N-]c2cc(C(N)=O)ccc2F)c1[N+](=O)[O-] ZINC000186150334 526092201 /nfs/dbraw/zinc/09/22/01/526092201.db2.gz QYHNULNSQIGHIL-UHFFFAOYSA-N -1 3 349.343 2.807 20 5 EFBDHM O=C(CNc1ccccc1[N+](=O)[O-])N1CCCc2cccc([O-])c21 ZINC000182937886 526900564 /nfs/dbraw/zinc/90/05/64/526900564.db2.gz JYHPFHDUJKTWRF-UHFFFAOYSA-N -1 3 327.340 2.692 20 5 EFBDHM O=C([N-]c1c(F)cccc1F)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067152748 527092712 /nfs/dbraw/zinc/09/27/12/527092712.db2.gz JCYUWXUPPKQOQL-UHFFFAOYSA-N -1 3 345.265 2.706 20 5 EFBDHM O=C(Nc1ccc([O-])cc1F)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000183245694 527239264 /nfs/dbraw/zinc/23/92/64/527239264.db2.gz GLPXKDKBJGOYFG-UHFFFAOYSA-N -1 3 343.270 2.533 20 5 EFBDHM CC(C)N1CCc2nc([N-]C(=O)c3ccc([N+](=O)[O-])o3)sc2C1 ZINC000342676108 535255420 /nfs/dbraw/zinc/25/54/20/535255420.db2.gz XVYWROHYKHJHDH-UHFFFAOYSA-N -1 3 336.373 2.663 20 5 EFBDHM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000435620699 535922892 /nfs/dbraw/zinc/92/28/92/535922892.db2.gz FGICWERQDGJTNE-GMSGAONNSA-N -1 3 338.307 2.690 20 5 EFBDHM COc1ccc(Cn2cc([N-]c3ncccc3[N+](=O)[O-])cn2)cc1 ZINC000343693094 536587860 /nfs/dbraw/zinc/58/78/60/536587860.db2.gz ABBIKDUVHBPYTD-UHFFFAOYSA-N -1 3 325.328 2.987 20 5 EFBDHM O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccc(Cl)cc1[O-] ZINC000754495738 575442386 /nfs/dbraw/zinc/44/23/86/575442386.db2.gz IGEDOUOZJWZIQM-UHFFFAOYSA-N -1 3 346.730 2.942 20 5 EFBDHM Cn1cc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)c(C(F)F)n1 ZINC000755137078 575549336 /nfs/dbraw/zinc/54/93/36/575549336.db2.gz ZFZDGIJQETYLPJ-UHFFFAOYSA-N -1 3 332.213 2.796 20 5 EFBDHM Cc1cc([O-])ccc1C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000758532048 575871756 /nfs/dbraw/zinc/87/17/56/575871756.db2.gz RMSRSSAJOUVOBF-LLVKDONJSA-N -1 3 344.323 2.793 20 5 EFBDHM O=[N+]([O-])c1ccc(OC(F)F)c(NC([O-])=NOCC(F)F)c1 ZINC000759950828 575960936 /nfs/dbraw/zinc/96/09/36/575960936.db2.gz GYMJVNHXJNXCLX-UHFFFAOYSA-N -1 3 327.190 2.514 20 5 EFBDHM O=C([N-]OCC(F)F)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000759950828 575960937 /nfs/dbraw/zinc/96/09/37/575960937.db2.gz GYMJVNHXJNXCLX-UHFFFAOYSA-N -1 3 327.190 2.514 20 5 EFBDHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc[nH]1 ZINC000760405977 576019521 /nfs/dbraw/zinc/01/95/21/576019521.db2.gz QLMGVVJMMFSYHF-QMMMGPOBSA-N -1 3 329.765 2.616 20 5 EFBDHM COc1ccc([N-]C(=O)c2cccc(OC)c2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000766366196 577140467 /nfs/dbraw/zinc/14/04/67/577140467.db2.gz DSUAQCLMLHXRBN-UHFFFAOYSA-N -1 3 347.283 2.773 20 5 EFBDHM COc1cc([N+](=O)[O-])c(C(=O)[N-]OCC(F)(F)F)cc1SC ZINC000766771241 577181662 /nfs/dbraw/zinc/18/16/62/577181662.db2.gz JUGHUKTXTZGVMM-UHFFFAOYSA-N -1 3 340.279 2.549 20 5 EFBDHM CCOc1cc([O-])ccc1NC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000768278724 577263923 /nfs/dbraw/zinc/26/39/23/577263923.db2.gz HOSVSXFDVJDLEI-UHFFFAOYSA-N -1 3 332.312 2.960 20 5 EFBDHM C[C@H](C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000768793938 577303389 /nfs/dbraw/zinc/30/33/89/577303389.db2.gz NLSRZNSCMQTJHM-SNVBAGLBSA-N -1 3 326.399 2.738 20 5 EFBDHM CCc1ccc(CC[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000768834446 577307527 /nfs/dbraw/zinc/30/75/27/577307527.db2.gz UBUDOUXIMHLQEL-UHFFFAOYSA-N -1 3 340.426 2.740 20 5 EFBDHM C[C@]1(c2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768840739 577308093 /nfs/dbraw/zinc/30/80/93/577308093.db2.gz CGAGQJBTWJMXBK-GXTWGEPZSA-N -1 3 338.410 2.665 20 5 EFBDHM CN(CCOC(=O)c1cc([O-])cc([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC000769116540 577336242 /nfs/dbraw/zinc/33/62/42/577336242.db2.gz SEHVPPAXJBNNEX-UHFFFAOYSA-N -1 3 348.330 2.728 20 5 EFBDHM Cn1ccnc1-c1csc([N-]C(=O)c2cc(F)ccc2[N+](=O)[O-])n1 ZINC000769337682 577353364 /nfs/dbraw/zinc/35/33/64/577353364.db2.gz NDPMBOMLLXCBNO-UHFFFAOYSA-N -1 3 347.331 2.843 20 5 EFBDHM O=C([N-]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(F)(F)c1ccccc1 ZINC000769620612 577375687 /nfs/dbraw/zinc/37/56/87/577375687.db2.gz BNMLQCPHOZNNQD-UHFFFAOYSA-N -1 3 346.293 2.879 20 5 EFBDHM Cc1nc(-c2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc2)co1 ZINC000770177328 577405881 /nfs/dbraw/zinc/40/58/81/577405881.db2.gz HACUDWPIWSKVIF-UHFFFAOYSA-N -1 3 340.295 2.911 20 5 EFBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000726916872 577416784 /nfs/dbraw/zinc/41/67/84/577416784.db2.gz SRHBOOREEKPZAN-UHFFFAOYSA-N -1 3 349.230 2.623 20 5 EFBDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)c1 ZINC000726914849 577416954 /nfs/dbraw/zinc/41/69/54/577416954.db2.gz ATMXSQGYESJOFM-UHFFFAOYSA-N -1 3 335.247 2.903 20 5 EFBDHM Cc1nc([N+](=O)[O-])c(-c2noc(-c3cc(Cl)c(Cl)[n-]3)n2)n1C ZINC000771464487 581214407 /nfs/dbraw/zinc/21/44/07/581214407.db2.gz PHOXMGRMQWZFON-UHFFFAOYSA-N -1 3 343.130 2.989 20 5 EFBDHM C[C@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])Oc1ccccc1 ZINC000736026514 598869216 /nfs/dbraw/zinc/86/92/16/598869216.db2.gz PCHPUKFNUZDOON-LLVKDONJSA-N -1 3 340.343 2.654 20 5 EFBDHM C[C@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])Oc1ccccc1 ZINC000736026514 598869217 /nfs/dbraw/zinc/86/92/17/598869217.db2.gz PCHPUKFNUZDOON-LLVKDONJSA-N -1 3 340.343 2.654 20 5 EFBDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)c1ncccc1[N+](=O)[O-] ZINC000821109578 607305271 /nfs/dbraw/zinc/30/52/71/607305271.db2.gz MIBLKMLYGHKXHP-UHFFFAOYSA-N -1 3 339.359 2.587 20 5 EFBDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)c1ncccc1[N+](=O)[O-] ZINC000821109578 607305272 /nfs/dbraw/zinc/30/52/72/607305272.db2.gz MIBLKMLYGHKXHP-UHFFFAOYSA-N -1 3 339.359 2.587 20 5 EFBDHM Cc1cc(-c2nn[n-]n2)ccc1OCc1c(F)cccc1[N+](=O)[O-] ZINC000737221457 598757055 /nfs/dbraw/zinc/75/70/55/598757055.db2.gz KEDQSBAHPFEOCA-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1cccc2c1CCN(c1ccc(-c3nnn[n-]3)cc1[N+](=O)[O-])C2 ZINC000737410527 598798222 /nfs/dbraw/zinc/79/82/22/598798222.db2.gz UBZDPJQCDBRCOH-UHFFFAOYSA-N -1 3 336.355 2.646 20 5 EFBDHM Cc1cccc2c1CCN(c1ccc(-c3nn[n-]n3)cc1[N+](=O)[O-])C2 ZINC000737410527 598798224 /nfs/dbraw/zinc/79/82/24/598798224.db2.gz UBZDPJQCDBRCOH-UHFFFAOYSA-N -1 3 336.355 2.646 20 5 EFBDHM O=[N+]([O-])c1cnc(NCc2ccc(-c3nnn[n-]3)cc2F)c(Cl)c1 ZINC000738374235 599430381 /nfs/dbraw/zinc/43/03/81/599430381.db2.gz LOCKCAHQIIOXHH-UHFFFAOYSA-N -1 3 349.713 2.575 20 5 EFBDHM O=[N+]([O-])c1cnc(NCc2ccc(-c3nn[n-]n3)cc2F)c(Cl)c1 ZINC000738374235 599430383 /nfs/dbraw/zinc/43/03/83/599430383.db2.gz LOCKCAHQIIOXHH-UHFFFAOYSA-N -1 3 349.713 2.575 20 5 EFBDHM C[C@H](CN(Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)C1CC1)C(=O)[O-] ZINC000736580538 600078355 /nfs/dbraw/zinc/07/83/55/600078355.db2.gz CYIZKTUQCSBWPP-GFCCVEGCSA-N -1 3 344.371 2.601 20 5 EFBDHM CCCCn1ncc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1C ZINC000821082961 607467603 /nfs/dbraw/zinc/46/76/03/607467603.db2.gz QLBUDIDHCAAUMC-UHFFFAOYSA-N -1 3 342.363 2.824 20 5 EFBDHM CCCCn1ncc(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1C ZINC000821082961 607467604 /nfs/dbraw/zinc/46/76/04/607467604.db2.gz QLBUDIDHCAAUMC-UHFFFAOYSA-N -1 3 342.363 2.824 20 5 EFBDHM C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@](C)(C(=O)[O-])C1 ZINC000827966198 601919458 /nfs/dbraw/zinc/91/94/58/601919458.db2.gz NHTHUXGFJVFRDX-HWPZZCPQSA-N -1 3 346.343 2.502 20 5 EFBDHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000833419519 604863124 /nfs/dbraw/zinc/86/31/24/604863124.db2.gz MVIFQHGKMFVILF-CYBMUJFWSA-N -1 3 346.387 2.725 20 5 EFBDHM CCO[C@@H](CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(C)C ZINC000821352134 606040076 /nfs/dbraw/zinc/04/00/76/606040076.db2.gz XPZHLMHULPRZGR-AWEZNQCLSA-N -1 3 334.380 2.638 20 5 EFBDHM CCO[C@@H](CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(C)C ZINC000821352134 606040080 /nfs/dbraw/zinc/04/00/80/606040080.db2.gz XPZHLMHULPRZGR-AWEZNQCLSA-N -1 3 334.380 2.638 20 5 EFBDHM COCc1cc([N+](=O)[O-])ccc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000821695174 606221706 /nfs/dbraw/zinc/22/17/06/606221706.db2.gz MMPNBLWHFJTXDV-UHFFFAOYSA-N -1 3 340.343 2.533 20 5 EFBDHM COCc1cc([N+](=O)[O-])ccc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000821695174 606221708 /nfs/dbraw/zinc/22/17/08/606221708.db2.gz MMPNBLWHFJTXDV-UHFFFAOYSA-N -1 3 340.343 2.533 20 5 EFBDHM CCC[C@@H]1C[C@H]1Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821040359 606419764 /nfs/dbraw/zinc/41/97/64/606419764.db2.gz KQGSYFVQHHSIPN-YMTOWFKASA-N -1 3 339.359 2.924 20 5 EFBDHM CCC[C@@H]1C[C@H]1Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821040359 606419765 /nfs/dbraw/zinc/41/97/65/606419765.db2.gz KQGSYFVQHHSIPN-YMTOWFKASA-N -1 3 339.359 2.924 20 5 EFBDHM CC(C)[C@@H]1OCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820043487 606426933 /nfs/dbraw/zinc/42/69/33/606426933.db2.gz AHJKWUDHGUVDJY-DOMZBBRYSA-N -1 3 346.391 2.638 20 5 EFBDHM CC(C)[C@@H]1OCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820043487 606426935 /nfs/dbraw/zinc/42/69/35/606426935.db2.gz AHJKWUDHGUVDJY-DOMZBBRYSA-N -1 3 346.391 2.638 20 5 EFBDHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000823319074 607189551 /nfs/dbraw/zinc/18/95/51/607189551.db2.gz QDZHLBBPGZXXJK-UHFFFAOYSA-N -1 3 344.718 2.681 20 5 EFBDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000823319074 607189552 /nfs/dbraw/zinc/18/95/52/607189552.db2.gz QDZHLBBPGZXXJK-UHFFFAOYSA-N -1 3 344.718 2.681 20 5 EFBDHM Cc1ccc(OCc2ccc(F)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000826292484 607863798 /nfs/dbraw/zinc/86/37/98/607863798.db2.gz WNEOJBDVVQKFFJ-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1ccc(OCc2ccc(F)c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000826292484 607863799 /nfs/dbraw/zinc/86/37/99/607863799.db2.gz WNEOJBDVVQKFFJ-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Oc1ccc2nccnc2c1 ZINC000826497705 608017441 /nfs/dbraw/zinc/01/74/41/608017441.db2.gz QUQDNUJTXSRVIV-UHFFFAOYSA-N -1 3 335.283 2.510 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Oc1ccc2nccnc2c1 ZINC000826497705 608017442 /nfs/dbraw/zinc/01/74/42/608017442.db2.gz QUQDNUJTXSRVIV-UHFFFAOYSA-N -1 3 335.283 2.510 20 5 EFBDHM Cc1cc([N+](=O)[O-])cnc1Sc1ccc(-c2nnn[n-]2)cc1F ZINC000826272311 608185614 /nfs/dbraw/zinc/18/56/14/608185614.db2.gz CZMYJNULSYAHKL-UHFFFAOYSA-N -1 3 332.320 2.769 20 5 EFBDHM Cc1cc([N+](=O)[O-])cnc1Sc1ccc(-c2nn[n-]n2)cc1F ZINC000826272311 608185615 /nfs/dbraw/zinc/18/56/15/608185615.db2.gz CZMYJNULSYAHKL-UHFFFAOYSA-N -1 3 332.320 2.769 20 5 EFBDHM C[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC12CCC2 ZINC000824961674 608196220 /nfs/dbraw/zinc/19/62/20/608196220.db2.gz FYHVUSJWZFQRIO-NSHDSACASA-N -1 3 328.376 2.791 20 5 EFBDHM C[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC12CCC2 ZINC000824961674 608196221 /nfs/dbraw/zinc/19/62/21/608196221.db2.gz FYHVUSJWZFQRIO-NSHDSACASA-N -1 3 328.376 2.791 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1NCc1cccc(-c2nnn[n-]2)c1F ZINC000826293512 608479259 /nfs/dbraw/zinc/47/92/59/608479259.db2.gz RQYIQLHWWHOYEM-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1NCc1cccc(-c2nn[n-]n2)c1F ZINC000826293512 608479261 /nfs/dbraw/zinc/47/92/61/608479261.db2.gz RQYIQLHWWHOYEM-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1ccccc1[N+](=O)[O-] ZINC000825481042 609178978 /nfs/dbraw/zinc/17/89/78/609178978.db2.gz SBJUGTJMWWLTTO-UHFFFAOYSA-N -1 3 339.359 2.819 20 5 EFBDHM C[C@H]1CC[C@]2(CCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)C1 ZINC000824919184 609390129 /nfs/dbraw/zinc/39/01/29/609390129.db2.gz SOYGBUHRYQHQDF-ZBEGNZNMSA-N -1 3 328.376 2.791 20 5 EFBDHM C[C@H]1CC[C@]2(CCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)C1 ZINC000824919184 609390132 /nfs/dbraw/zinc/39/01/32/609390132.db2.gz SOYGBUHRYQHQDF-ZBEGNZNMSA-N -1 3 328.376 2.791 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1CN(C)C ZINC000733868561 1265449810 /nfs/dbraw/zinc/44/98/10/1265449810.db2.gz MCCJQKDXGJTKFB-UHFFFAOYSA-N -1 3 349.412 2.766 20 5 EFBDHM O=C(NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CCC=CCC1 ZINC001107204765 1255311081 /nfs/dbraw/zinc/31/10/81/1255311081.db2.gz SBCWYAOKHJOEML-AATRIKPKSA-N -1 3 346.387 2.526 20 5 EFBDHM CC(C)(C(=O)NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CCC1 ZINC001107437948 1255819624 /nfs/dbraw/zinc/81/96/24/1255819624.db2.gz ARLUQKSCXKOZOM-ONEGZZNKSA-N -1 3 348.403 2.606 20 5 EFBDHM CC(C)=C(C)CC(=O)NC/C=C\CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107443756 1255833706 /nfs/dbraw/zinc/83/37/06/1255833706.db2.gz NQLZAIWSURQBJX-PLNGDYQASA-N -1 3 334.376 2.526 20 5 EFBDHM COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1NCc1ncccc1[O-] ZINC001169736993 1273145449 /nfs/dbraw/zinc/14/54/49/1273145449.db2.gz NTUOVMFIQAWHAX-UHFFFAOYSA-N -1 3 337.719 2.748 20 5 EFBDHM CN(Cc1ccccc1)C(=O)C[N-]c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804361661 1273842242 /nfs/dbraw/zinc/84/22/42/1273842242.db2.gz WIKUUGSENPWNEQ-UHFFFAOYSA-N -1 3 344.327 2.574 20 5 EFBDHM CN(CCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)/C=C/C(C)(C)C ZINC001109396129 1274232382 /nfs/dbraw/zinc/23/23/82/1274232382.db2.gz PTUPZOCTJNWGPQ-SOFGYWHQSA-N -1 3 336.392 2.558 20 5 EFBDHM CN(CCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C1CCC=CCC1 ZINC001109456619 1274297523 /nfs/dbraw/zinc/29/75/23/1274297523.db2.gz BSOWNODKSRNJGN-UHFFFAOYSA-N -1 3 348.403 2.702 20 5 EFBDHM Cc1ccc(NC2(CNC(=O)c3ccccc3[O-])CC2)c([N+](=O)[O-])c1 ZINC001110075566 1275096202 /nfs/dbraw/zinc/09/62/02/1275096202.db2.gz CYLUCZBGGCNVRU-UHFFFAOYSA-N -1 3 341.367 2.983 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(NC2(CNC(=O)c3ccccc3[O-])CC2)c1 ZINC001110076009 1275097450 /nfs/dbraw/zinc/09/74/50/1275097450.db2.gz ZKUAMLLDQHASJW-UHFFFAOYSA-N -1 3 341.367 2.983 20 5 EFBDHM O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cc2occc2[n-]1 ZINC000786031607 1275279637 /nfs/dbraw/zinc/27/96/37/1275279637.db2.gz MTWOHMHICCVKQM-UHFFFAOYSA-N -1 3 344.279 2.893 20 5 EFBDHM C[C@H](OC(=O)c1cc2occc2[n-]1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000786034963 1275282795 /nfs/dbraw/zinc/28/27/95/1275282795.db2.gz YRPAKDRSZNLIKS-VIFPVBQESA-N -1 3 343.295 2.853 20 5 EFBDHM CC(C)C(=O)NC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCCC1 ZINC001114144273 1279784698 /nfs/dbraw/zinc/78/46/98/1279784698.db2.gz ISHORTZELIHZMK-UHFFFAOYSA-N -1 3 336.392 2.582 20 5 EFBDHM C[C@H]1CC[C@H](C(=O)NCC2(Nc3cc[n-]c(=O)c3[N+](=O)[O-])CC2)CC1 ZINC001110187382 1287466462 /nfs/dbraw/zinc/46/64/62/1287466462.db2.gz CIBCGBMDGTZYSN-HAQNSBGRSA-N -1 3 348.403 2.582 20 5 EFBDHM Cc1cc(Cl)c(C(=O)OCc2cc(=O)c([O-])co2)cc1[N+](=O)[O-] ZINC000815406925 1287486391 /nfs/dbraw/zinc/48/63/91/1287486391.db2.gz ASHPDDPAPBWCIU-UHFFFAOYSA-N -1 3 339.687 2.572 20 5 EFBDHM CC1(CC(=O)NCC2(Nc3cc[n-]c(=O)c3[N+](=O)[O-])CC2)CCCC1 ZINC001110128628 1282433823 /nfs/dbraw/zinc/43/38/23/1282433823.db2.gz QUOJHYOPFRXGCH-UHFFFAOYSA-N -1 3 348.403 2.727 20 5 EFBDHM CC(C)CC(=O)NC1CC2(C1)CC(Nc1cc[n-]c(=O)c1[N+](=O)[O-])C2 ZINC001093418731 1283980212 /nfs/dbraw/zinc/98/02/12/1283980212.db2.gz IJNLWCGRWJOGLZ-UHFFFAOYSA-N -1 3 348.403 2.581 20 5 EFBDHM CC1(CC(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCCC1 ZINC001094263714 1284890510 /nfs/dbraw/zinc/89/05/10/1284890510.db2.gz IWCCFUOEAFZALT-UHFFFAOYSA-N -1 3 336.392 2.584 20 5 EFBDHM O=C(NCCCNc1ccc([N+](=O)[O-])cc1F)c1ccccc1[O-] ZINC001094339380 1284945475 /nfs/dbraw/zinc/94/54/75/1284945475.db2.gz XWESACJLTBWMFF-UHFFFAOYSA-N -1 3 333.319 2.672 20 5 EFBDHM Cc1cccc(C(=O)NCCCNc2cc[n-]c(=O)c2[N+](=O)[O-])c1C ZINC001094414946 1285041539 /nfs/dbraw/zinc/04/15/39/1285041539.db2.gz ZBQUYMHFYXEMRA-UHFFFAOYSA-N -1 3 344.371 2.544 20 5 EFBDHM O=C(CCOc1ccccc1)[N-]OCc1ccc([N+](=O)[O-])cc1F ZINC000747835498 1285600935 /nfs/dbraw/zinc/60/09/35/1285600935.db2.gz HCCXBNWPPIFOCU-UHFFFAOYSA-N -1 3 334.303 2.751 20 5 EFBDHM Cc1nnc([N-]C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])n1C ZINC000813202111 1285728450 /nfs/dbraw/zinc/72/84/50/1285728450.db2.gz OTVUBKLNYWMXJA-UHFFFAOYSA-N -1 3 330.131 2.591 20 5 EFBDHM O=C(NCCCCCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CCC1 ZINC001094908435 1286125008 /nfs/dbraw/zinc/12/50/08/1286125008.db2.gz CNEXHQUNDCTBBX-UHFFFAOYSA-N -1 3 336.392 2.584 20 5 EFBDHM CCC(=CC(=O)N1CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1)CC ZINC001095221670 1286693690 /nfs/dbraw/zinc/69/36/90/1286693690.db2.gz MXDJBSTUTFLIDN-UHFFFAOYSA-N -1 3 348.403 2.845 20 5 EFBDHM CC(C)(C)/C=C/C(=O)N1CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001095222831 1286697162 /nfs/dbraw/zinc/69/71/62/1286697162.db2.gz LODJISRPZUDHTL-XBXARRHUSA-N -1 3 348.403 2.701 20 5 EFBDHM COC(=O)c1cc(C(=O)O[C@H](C)c2cc([N+](=O)[O-])ccc2C)c[n-]1 ZINC000814530471 1286744198 /nfs/dbraw/zinc/74/41/98/1286744198.db2.gz UXDLFYNTGHHWJS-SNVBAGLBSA-N -1 3 332.312 2.936 20 5 EFBDHM COC(=O)c1cc([O-])c(F)cc1Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC001176361472 1287965116 /nfs/dbraw/zinc/96/51/16/1287965116.db2.gz DARAGJZAECYDPK-UHFFFAOYSA-N -1 3 336.275 2.978 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CCN(Cc3c(F)ccc([O-])c3F)CC2)cc1 ZINC000816480907 1288153916 /nfs/dbraw/zinc/15/39/16/1288153916.db2.gz ASQWLVULJGFMGP-UHFFFAOYSA-N -1 3 349.337 2.901 20 5 EFBDHM COc1cc(C)cc(-c2noc(-c3cc([N+](=O)[O-])c[n-]c3=O)n2)c1 ZINC001212935903 1290902368 /nfs/dbraw/zinc/90/23/68/1290902368.db2.gz UDTLBAOUEYUYEO-UHFFFAOYSA-N -1 3 328.284 2.729 20 5 EFBDHM CCOc1ccccc1-c1noc(-c2cc([N+](=O)[O-])c[n-]c2=O)n1 ZINC001212935668 1290902796 /nfs/dbraw/zinc/90/27/96/1290902796.db2.gz GYGOVDPMLREKMC-UHFFFAOYSA-N -1 3 328.284 2.811 20 5 EFBDHM COc1ccc(-c2noc(-c3cc([N+](=O)[O-])c[n-]c3=O)n2)c(C)c1 ZINC001212935713 1290902876 /nfs/dbraw/zinc/90/28/76/1290902876.db2.gz JBQRDTYCQGMBQI-UHFFFAOYSA-N -1 3 328.284 2.729 20 5 EFBDHM Cc1cc(F)c(-c2noc(-c3cc([N+](=O)[O-])c[n-]c3=O)n2)cc1F ZINC001212936860 1290904644 /nfs/dbraw/zinc/90/46/44/1290904644.db2.gz AWZFHUNJPRIIBQ-UHFFFAOYSA-N -1 3 334.238 2.999 20 5 EFBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nc(-c2ccc3ccccc3n2)no1 ZINC001212937007 1290904711 /nfs/dbraw/zinc/90/47/11/1290904711.db2.gz JAZYNQVZJZNWEP-UHFFFAOYSA-N -1 3 335.279 2.961 20 5 EFBDHM Cc1n[n-]c(C)c1S(=O)(=O)Oc1cc(C)c([N+](=O)[O-])cc1Cl ZINC000796204555 1292401737 /nfs/dbraw/zinc/40/17/37/1292401737.db2.gz HCVISBAEYNXPTE-UHFFFAOYSA-N -1 3 345.764 2.664 20 5 EFBDHM CC(=O)N1CCC[C@H](Oc2nc3cc(Cl)c([N+](=O)[O-])cc3[n-]2)C1 ZINC001233499226 1312944216 /nfs/dbraw/zinc/94/42/16/1312944216.db2.gz NJFUICGQNILUMS-VIFPVBQESA-N -1 3 338.751 2.514 20 5 EFBDHM CCCOC(=O)[C@H](C)Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233501168 1312944889 /nfs/dbraw/zinc/94/48/89/1312944889.db2.gz XDPOVWDIHQECBI-ZETCQYMHSA-N -1 3 327.724 2.845 20 5 EFBDHM CCOC(=O)[C@@H](CC)Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233506176 1312946440 /nfs/dbraw/zinc/94/64/40/1312946440.db2.gz MRRXMWBWXFDLIQ-LLVKDONJSA-N -1 3 327.724 2.845 20 5 EFBDHM COC(=O)C1(C)CC(Oc2nc3cc(Cl)c([N+](=O)[O-])cc3[n-]2)C1 ZINC001233506855 1312946753 /nfs/dbraw/zinc/94/67/53/1312946753.db2.gz SLDMEVYNKXPWKA-UHFFFAOYSA-N -1 3 339.735 2.845 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)[N-]CCC(F)(F)F ZINC000881954352 1293060885 /nfs/dbraw/zinc/06/08/85/1293060885.db2.gz ABRMOSDGPJRIAO-UHFFFAOYSA-N -1 3 346.714 2.787 20 5 EFBDHM Cc1cnc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(Br)n1 ZINC001199801605 1295760461 /nfs/dbraw/zinc/76/04/61/1295760461.db2.gz FEYHLUKAARCFII-UHFFFAOYSA-N -1 3 325.122 2.905 20 5 EFBDHM Cc1nc(Br)cnc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199814111 1295763625 /nfs/dbraw/zinc/76/36/25/1295763625.db2.gz FQGIQSMNOCECBG-UHFFFAOYSA-N -1 3 325.122 2.905 20 5 EFBDHM CCOC(=O)c1cnn2ccc(Nc3cc([O-])cc([N+](=O)[O-])c3)cc12 ZINC001199813959 1295764207 /nfs/dbraw/zinc/76/42/07/1295764207.db2.gz AFTAEURWWVTYPO-UHFFFAOYSA-N -1 3 342.311 2.868 20 5 EFBDHM COC(=O)c1ccc(N(c2cc([O-])cc([N+](=O)[O-])c2)C2CC2)c(N)c1 ZINC001201229202 1296636113 /nfs/dbraw/zinc/63/61/13/1296636113.db2.gz HKHQTEQCBZPEPZ-UHFFFAOYSA-N -1 3 343.339 2.970 20 5 EFBDHM CC1(C)c2cc(Nc3cc([O-])cc([N+](=O)[O-])c3)ccc2CNC1=O ZINC001201229727 1296637338 /nfs/dbraw/zinc/63/73/38/1296637338.db2.gz PRMFEOKMAXSYDF-UHFFFAOYSA-N -1 3 327.340 2.951 20 5 EFBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(CN3CCOCC3)cc2)c1 ZINC001201221536 1296669020 /nfs/dbraw/zinc/66/90/20/1296669020.db2.gz DDQWEUSDGGIYNG-UHFFFAOYSA-N -1 3 329.356 2.876 20 5 EFBDHM Cc1ccncc1-c1noc(-c2[n-]nc(C(F)(F)F)c2[N+](=O)[O-])n1 ZINC001212972566 1297278826 /nfs/dbraw/zinc/27/88/26/1297278826.db2.gz DOXWVDUFHAPVSE-UHFFFAOYSA-N -1 3 340.221 2.757 20 5 EFBDHM O=c1[n-]ccc(N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1[N+](=O)[O-] ZINC000853663431 1300219365 /nfs/dbraw/zinc/21/93/65/1300219365.db2.gz CCVHHJLRLRGWCM-GFCCVEGCSA-N -1 3 344.327 2.988 20 5 EFBDHM CCc1onc(C)c1[N-]C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000089399000 1300796648 /nfs/dbraw/zinc/79/66/48/1300796648.db2.gz CRSCVHUBMVTBGZ-UHFFFAOYSA-N -1 3 334.288 2.923 20 5 EFBDHM CCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCN(C(=O)CC2CC2)CC1 ZINC001066814069 1301477950 /nfs/dbraw/zinc/47/79/50/1301477950.db2.gz KVPVGMNURBZDHL-UHFFFAOYSA-N -1 3 348.403 2.679 20 5 EFBDHM O=c1[nH][n-]cc1CCCNc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC000865942671 1303462465 /nfs/dbraw/zinc/46/24/65/1303462465.db2.gz VVLRKUCMKSOCQM-ZETCQYMHSA-N -1 3 331.159 2.826 20 5 EFBDHM COC(=O)c1ccc(C)c(NC(=O)c2cc(F)ccc2[N+](=O)[O-])c1[O-] ZINC000800537551 1308086487 /nfs/dbraw/zinc/08/64/87/1308086487.db2.gz ADTDWOFETNLAML-UHFFFAOYSA-N -1 3 348.286 2.787 20 5 EFBDHM CCOc1cccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)c1 ZINC000800928150 1308689399 /nfs/dbraw/zinc/68/93/99/1308689399.db2.gz JOCAIXWSKZQSCS-UHFFFAOYSA-N -1 3 340.332 2.933 20 5 EFBDHM Cc1ccc(CN[C@@]2(C(=O)[O-])CCc3ccccc32)cc1[N+](=O)[O-] ZINC000901666344 1310848438 /nfs/dbraw/zinc/84/84/38/1310848438.db2.gz OQJFCRJAJRJZPN-SFHVURJKSA-N -1 3 326.352 2.919 20 5 EFBDHM CO[C@H]1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)[C@@H](C(=O)[O-])C1 ZINC000902031781 1311340001 /nfs/dbraw/zinc/34/00/01/1311340001.db2.gz LYOMJAWQGVRGTF-XJKSGUPXSA-N -1 3 336.388 2.782 20 5 EFBDHM CC(C)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000782517856 1311367680 /nfs/dbraw/zinc/36/76/80/1311367680.db2.gz RUPNZEJKKXXDRH-MRVPVSSYSA-N -1 3 346.352 2.912 20 5 EFBDHM CCOC(=O)C[C@H](Oc1nccc([O-])c1[N+](=O)[O-])c1ccccc1 ZINC001225660388 1311561107 /nfs/dbraw/zinc/56/11/07/1311561107.db2.gz CWRJOOOIBDNLGH-ZDUSSCGKSA-N -1 3 332.312 2.769 20 5 EFBDHM CCOC(=O)C[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])c1ccccc1 ZINC001225660386 1311561286 /nfs/dbraw/zinc/56/12/86/1311561286.db2.gz CWRJOOOIBDNLGH-CYBMUJFWSA-N -1 3 332.312 2.769 20 5 EFBDHM C[C@@H](c1ccccn1)N1CCC[C@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225664979 1311561773 /nfs/dbraw/zinc/56/17/73/1311561773.db2.gz VPRCNLAVTBUWBY-STQMWFEESA-N -1 3 344.371 2.695 20 5 EFBDHM C[C@@H](c1ccccn1)N1CCC[C@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225664979 1311561775 /nfs/dbraw/zinc/56/17/75/1311561775.db2.gz VPRCNLAVTBUWBY-STQMWFEESA-N -1 3 344.371 2.695 20 5 EFBDHM Cc1c(=O)[n-]cnc1OC1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC001226077697 1311610218 /nfs/dbraw/zinc/61/02/18/1311610218.db2.gz UUMYRJWMPNIIRJ-UHFFFAOYSA-N -1 3 348.334 2.586 20 5 EFBDHM CC(=O)c1ccc([O-])c(O[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1O ZINC001226479672 1311674452 /nfs/dbraw/zinc/67/44/52/1311674452.db2.gz RNLZDRMAVOTFNN-CYBMUJFWSA-N -1 3 329.308 2.755 20 5 EFBDHM COc1cc(OC[C@@H]2CCO2)c2c(=O)c3c(O)ccc([O-])c3oc2c1 ZINC001227646134 1311835674 /nfs/dbraw/zinc/83/56/74/1311835674.db2.gz ODLJYPKSJWYBMU-VIFPVBQESA-N -1 3 344.319 2.534 20 5 EFBDHM COC[C@H](C)Oc1cc(OC)cc2oc3c([O-])ccc(O)c3c(=O)c12 ZINC001227646339 1311835779 /nfs/dbraw/zinc/83/57/79/1311835779.db2.gz QMQASKKXXNFXPP-VIFPVBQESA-N -1 3 346.335 2.780 20 5 EFBDHM COc1cccc(OC[C@@H](C)Oc2ncc([N+](=O)[O-])c3nc[n-]c32)c1 ZINC001227691152 1311839871 /nfs/dbraw/zinc/83/98/71/1311839871.db2.gz MWRSAKYTVBUWLZ-SNVBAGLBSA-N -1 3 344.327 2.721 20 5 EFBDHM CC1(C)CC(Oc2ncc([N+](=O)[O-])c3nc[n-]c32)CC(C)(C)N1O ZINC001227693483 1311840466 /nfs/dbraw/zinc/84/04/66/1311840466.db2.gz UTTHYWLWUZFUQI-UHFFFAOYSA-N -1 3 335.364 2.656 20 5 EFBDHM CCOC(=O)[C@H]1CC[C@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)CC1 ZINC001227743432 1311848355 /nfs/dbraw/zinc/84/83/55/1311848355.db2.gz PBPRHOZRKDDFJH-UMSPYCQHSA-N -1 3 333.344 2.972 20 5 EFBDHM CCOC(=O)[C@H]1CC[C@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)CC1 ZINC001227743432 1311848358 /nfs/dbraw/zinc/84/83/58/1311848358.db2.gz PBPRHOZRKDDFJH-UMSPYCQHSA-N -1 3 333.344 2.972 20 5 EFBDHM O=[N+]([O-])c1ccc2nc(OC[C@@H]3COc4cscc4O3)[n-]c2c1 ZINC001227742951 1311848489 /nfs/dbraw/zinc/84/84/89/1311848489.db2.gz GBVXQBMASRUTGL-VIFPVBQESA-N -1 3 333.325 2.751 20 5 EFBDHM O=[N+]([O-])c1ccc2[n-]c(OC[C@@H]3COc4cscc4O3)nc2c1 ZINC001227742951 1311848492 /nfs/dbraw/zinc/84/84/92/1311848492.db2.gz GBVXQBMASRUTGL-VIFPVBQESA-N -1 3 333.325 2.751 20 5 EFBDHM COC(=O)[C@@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)c1ccccc1F ZINC001227746298 1311849963 /nfs/dbraw/zinc/84/99/63/1311849963.db2.gz RCQIVFRLOUTPSW-AWEZNQCLSA-N -1 3 345.286 2.903 20 5 EFBDHM COC(=O)[C@@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)c1ccccc1F ZINC001227746298 1311849967 /nfs/dbraw/zinc/84/99/67/1311849967.db2.gz RCQIVFRLOUTPSW-AWEZNQCLSA-N -1 3 345.286 2.903 20 5 EFBDHM CCOC(=O)[C@H]1CC[C@@H](Oc2nc3cc([N+](=O)[O-])c(C)cc3[n-]2)C1 ZINC001228672769 1311979172 /nfs/dbraw/zinc/97/91/72/1311979172.db2.gz AMTJLQLOAWXMJN-WDEREUQCSA-N -1 3 333.344 2.890 20 5 EFBDHM COC(=O)C1CCC(Oc2nc3cc([N+](=O)[O-])c(C)cc3[n-]2)CC1 ZINC001228675579 1311980101 /nfs/dbraw/zinc/98/01/01/1311980101.db2.gz QXEDQSCIFYPFAX-UHFFFAOYSA-N -1 3 333.344 2.890 20 5 EFBDHM Cc1cc2[n-]c(O[C@@H]3CCCC4(C3)OCCO4)nc2cc1[N+](=O)[O-] ZINC001228676467 1311980121 /nfs/dbraw/zinc/98/01/21/1311980121.db2.gz GWRMGCNTXPKVFR-LLVKDONJSA-N -1 3 333.344 2.844 20 5 EFBDHM CCCCOC[C@@H](C)OC[C@H](C)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228688928 1311982352 /nfs/dbraw/zinc/98/23/52/1311982352.db2.gz NAONFWMXRQFGRB-NEPJUHHUSA-N -1 3 342.392 2.993 20 5 EFBDHM COc1ccc2c(c1)CC[C@@H](Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-])C2 ZINC001228690269 1311982543 /nfs/dbraw/zinc/98/25/43/1311982543.db2.gz ZLLJUPKWSZGCKN-CQSZACIVSA-N -1 3 330.340 2.949 20 5 EFBDHM CCN1CCC[C@@H](Oc2[n-]c(C(F)(F)F)cc(=O)c2[N+](=O)[O-])C1 ZINC001228860006 1312011121 /nfs/dbraw/zinc/01/11/21/1312011121.db2.gz QMAVCEIVHVSXST-MRVPVSSYSA-N -1 3 335.282 2.577 20 5 EFBDHM Cc1nc(O[C@H]2CCN(c3c(F)cccc3[N+](=O)[O-])C2)c(C)c(=O)[n-]1 ZINC001229691089 1312123722 /nfs/dbraw/zinc/12/37/22/1312123722.db2.gz RWADZVGQJQLIPS-NSHDSACASA-N -1 3 348.334 2.504 20 5 EFBDHM O=c1[nH][n-]cc1CCCNc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC001164375925 1312503838 /nfs/dbraw/zinc/50/38/38/1312503838.db2.gz XPYWTFHRNIVBOB-QMMMGPOBSA-N -1 3 330.266 2.538 20 5 EFBDHM Nc1cccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC001248607586 1314947596 /nfs/dbraw/zinc/94/75/96/1314947596.db2.gz KGHHKZDPVGLDTC-UHFFFAOYSA-N -1 3 327.749 2.631 20 5 EFBDHM COc1cc([O-])ccc1-c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001217085170 1315034413 /nfs/dbraw/zinc/03/44/13/1315034413.db2.gz HOQFHJSAFHUXEW-UHFFFAOYSA-N -1 3 332.247 2.560 20 5 EFBDHM O=c1[nH][n-]cc1CCCNc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001262554666 1316471642 /nfs/dbraw/zinc/47/16/42/1316471642.db2.gz NUHZQKABHNEEBW-QMMMGPOBSA-N -1 3 330.266 2.538 20 5 EFBDHM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001309871287 1324889776 /nfs/dbraw/zinc/88/97/76/1324889776.db2.gz BZYMPTINHOXUBF-ZIYJGFGOSA-N -1 3 330.793 2.571 20 5 EFBDHM COc1cc(C[NH2+][C@H](C)CCC[C@H](C)C(=O)[O-])c([N+](=O)[O-])cc1[O-] ZINC001324576923 1329641625 /nfs/dbraw/zinc/64/16/25/1329641625.db2.gz YIOHNBOQJKYKFU-WDEREUQCSA-N -1 3 340.376 2.678 20 5 EFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@@H]1C=CCC1 ZINC000849427911 1335613687 /nfs/dbraw/zinc/61/36/87/1335613687.db2.gz MYDKZMSWTUFJIZ-SECBINFHSA-N -1 3 336.291 2.611 20 5 EFBDHM Cc1ccc([C@H](C)NCc2ccc(-c3nn[n-]n3)s2)cc1[N+](=O)[O-] ZINC000822229219 1423392776 /nfs/dbraw/zinc/39/27/76/1423392776.db2.gz PCVSNWOHFIUNMQ-JTQLQIEISA-N -1 3 344.400 2.996 20 5 EFBDHM Cc1ccc([C@H](C)NCc2ccc(-c3nnn[n-]3)s2)cc1[N+](=O)[O-] ZINC000822229219 1423392781 /nfs/dbraw/zinc/39/27/81/1423392781.db2.gz PCVSNWOHFIUNMQ-JTQLQIEISA-N -1 3 344.400 2.996 20 5 EFBDHM C[C@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736200970 1442062766 /nfs/dbraw/zinc/06/27/66/1442062766.db2.gz FTIOMQOELDIVTF-GFCCVEGCSA-N -1 3 338.371 2.968 20 5 EFBDHM C[C@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736200970 1442062771 /nfs/dbraw/zinc/06/27/71/1442062771.db2.gz FTIOMQOELDIVTF-GFCCVEGCSA-N -1 3 338.371 2.968 20 5 EFBDHM Cc1ccc(CN[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000822238578 1443394297 /nfs/dbraw/zinc/39/42/97/1443394297.db2.gz MSDVKTNEXOSBLG-LBPRGKRZSA-N -1 3 338.371 2.934 20 5 EFBDHM Cc1ccc(CN[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000822238578 1443394300 /nfs/dbraw/zinc/39/43/00/1443394300.db2.gz MSDVKTNEXOSBLG-LBPRGKRZSA-N -1 3 338.371 2.934 20 5 EFBDHM COc1c([O-])ccc(CN2CCOC[C@H]2c2ccc(C)o2)c1[N+](=O)[O-] ZINC000892058034 715237917 /nfs/dbraw/zinc/23/79/17/715237917.db2.gz PZSUPCJYVJADBD-ZDUSSCGKSA-N -1 3 348.355 2.784 20 5 EFBDHM CS[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000866883942 719660472 /nfs/dbraw/zinc/66/04/72/719660472.db2.gz APAXMUDZJHFKQW-VHSXEESVSA-N -1 3 348.421 2.605 20 5 EFBDHM CC(C(=O)N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1)=C1CCCC1 ZINC001059609771 724754175 /nfs/dbraw/zinc/75/41/75/724754175.db2.gz KUDQNJUUAHCZAB-BETUJISGSA-N -1 3 346.387 2.645 20 5 EFBDHM CCN(CC)c1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000016493799 721781260 /nfs/dbraw/zinc/78/12/60/721781260.db2.gz MTFZCVPEHKEFCS-UHFFFAOYSA-N -1 3 330.344 2.794 20 5 EFBDHM O=C(Nc1ccc(N2CCCCC2)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000016494195 721781262 /nfs/dbraw/zinc/78/12/62/721781262.db2.gz DSMZVNYBRNGIOJ-UHFFFAOYSA-N -1 3 342.355 2.938 20 5 EFBDHM Cc1cc(N[C@H]2C[C@H](NC(=O)c3ccccc3[O-])C2)ccc1[N+](=O)[O-] ZINC001059153163 722659208 /nfs/dbraw/zinc/65/92/08/722659208.db2.gz HDSYHURNHONRHQ-HDJSIYSDSA-N -1 3 341.367 2.982 20 5 EFBDHM O=C(N[C@H]1C[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C1)c1ccccc1[O-] ZINC001059153218 722659342 /nfs/dbraw/zinc/65/93/42/722659342.db2.gz JDHFTFVOQMXKOP-HAQNSBGRSA-N -1 3 345.330 2.812 20 5 EFBDHM CC1(C)CC(CC(=O)N[C@H]2C[C@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)C1 ZINC001059381712 724140078 /nfs/dbraw/zinc/14/00/78/724140078.db2.gz QGDLRXUCXGMAEQ-HAQNSBGRSA-N -1 3 348.403 2.581 20 5 EFBDHM COc1c([O-])ccc(CN2CCOc3cc(F)ccc3C2)c1[N+](=O)[O-] ZINC000895672894 724253380 /nfs/dbraw/zinc/25/33/80/724253380.db2.gz ZJUKCFZEWCCBEO-UHFFFAOYSA-N -1 3 348.330 2.843 20 5 EFBDHM C[C@@]1(C(=O)[O-])CCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000901514013 956332023 /nfs/dbraw/zinc/33/20/23/956332023.db2.gz ZDFVWLQQBQPHSC-CYBMUJFWSA-N -1 3 332.278 2.910 20 5 EFBDHM C[C@](CCF)(NCc1cccc([N+](=O)[O-])c1Br)C(=O)[O-] ZINC001592507918 978330458 /nfs/dbraw/zinc/33/04/58/978330458.db2.gz WXGGSWKECLFLMK-GFCCVEGCSA-N -1 3 349.156 2.650 20 5 EFBDHM CC([C@H](OC(=O)c1ccc(C(=O)[O-])o1)c1ccccc1F)[N+](=O)[O-] ZINC001589552363 987286303 /nfs/dbraw/zinc/28/63/03/987286303.db2.gz FIPYCTAIXFDWAG-SDBXPKJASA-N -1 3 337.259 2.680 20 5 EFBDHM CN(CCc1cccc([N+](=O)[O-])c1)Cc1ccc(/C=C\C(=O)[O-])o1 ZINC001598502480 992453205 /nfs/dbraw/zinc/45/32/05/992453205.db2.gz XWWWWTVIVSIRDH-FPLPWBNLSA-N -1 3 330.340 2.960 20 5 EFBDHM CC(C)N1CCCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)CC1 ZINC001591629834 992927821 /nfs/dbraw/zinc/92/78/21/992927821.db2.gz VMJDXNHYUYRPDX-UHFFFAOYSA-N -1 3 341.795 2.867 20 5 EFBDHM COc1cccc(C[C@@H](NCc2ccc([N+](=O)[O-])cc2F)C(=O)[O-])c1 ZINC001599669451 994786327 /nfs/dbraw/zinc/78/63/27/994786327.db2.gz GDVWARWHSLFRQF-MRXNPFEDSA-N -1 3 348.330 2.528 20 5 EFBDHM COc1ccc(CN[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1 ZINC001599571056 998366212 /nfs/dbraw/zinc/36/62/12/998366212.db2.gz IOJQUWIUMFAJIS-QGZVFWFLSA-N -1 3 330.340 2.693 20 5 EFBDHM COc1ccc(F)cc1CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001580035187 1090748721 /nfs/dbraw/zinc/74/87/21/1090748721.db2.gz NIIIVLMDUGXPLR-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM COc1ccc(F)cc1CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001580035187 1090748724 /nfs/dbraw/zinc/74/87/24/1090748724.db2.gz NIIIVLMDUGXPLR-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM CS[C@@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001580225526 1090818738 /nfs/dbraw/zinc/81/87/38/1090818738.db2.gz IRICMUVSRNVTAW-DGCLKSJQSA-N -1 3 334.405 2.861 20 5 EFBDHM CS[C@@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001580225526 1090818741 /nfs/dbraw/zinc/81/87/41/1090818741.db2.gz IRICMUVSRNVTAW-DGCLKSJQSA-N -1 3 334.405 2.861 20 5 EFBDHM Cc1cc(-c2nn[n-]n2)ccc1Oc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001580623673 1090972174 /nfs/dbraw/zinc/97/21/74/1090972174.db2.gz BKNBBNCHUUBKNZ-UHFFFAOYSA-N -1 3 337.299 2.752 20 5 EFBDHM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1sccc1-c1nnn[n-]1 ZINC001580904160 1091040422 /nfs/dbraw/zinc/04/04/22/1091040422.db2.gz ISUIGCCJRXOOOC-UHFFFAOYSA-N -1 3 344.356 2.706 20 5 EFBDHM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1sccc1-c1nn[n-]n1 ZINC001580904160 1091040427 /nfs/dbraw/zinc/04/04/27/1091040427.db2.gz ISUIGCCJRXOOOC-UHFFFAOYSA-N -1 3 344.356 2.706 20 5 EFBDHM Cc1cc(N[C@@H](C)c2cccnc2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001581034796 1091062487 /nfs/dbraw/zinc/06/24/87/1091062487.db2.gz QXQYMGXHDAZMFQ-JTQLQIEISA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1cc(N[C@@H](C)c2cccnc2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001581034796 1091062492 /nfs/dbraw/zinc/06/24/92/1091062492.db2.gz QXQYMGXHDAZMFQ-JTQLQIEISA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1ccc(COc2ccc(-c3nn[n-]n3)c(C)c2)cc1[N+](=O)[O-] ZINC001581043174 1091065095 /nfs/dbraw/zinc/06/50/95/1091065095.db2.gz WAFCLGDHWBOHQH-UHFFFAOYSA-N -1 3 325.328 2.971 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cscc1-c1nnn[n-]1 ZINC001581213939 1091094998 /nfs/dbraw/zinc/09/49/98/1091094998.db2.gz RTOMNYGMYAUOMI-UHFFFAOYSA-N -1 3 344.356 2.706 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cscc1-c1nn[n-]n1 ZINC001581213939 1091095002 /nfs/dbraw/zinc/09/50/02/1091095002.db2.gz RTOMNYGMYAUOMI-UHFFFAOYSA-N -1 3 344.356 2.706 20 5 EFBDHM O=Cc1ccc(Oc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1F ZINC001582790791 1091664386 /nfs/dbraw/zinc/66/43/86/1091664386.db2.gz OLODWCOVMYQLDK-UHFFFAOYSA-N -1 3 347.237 2.658 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CCC[C@@H](C2CCC2)C1 ZINC001582804029 1091668229 /nfs/dbraw/zinc/66/82/29/1091668229.db2.gz GBVSRVVXFSLVSQ-GFCCVEGCSA-N -1 3 328.376 2.791 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CCC[C@@H](C2CCC2)C1 ZINC001582804029 1091668234 /nfs/dbraw/zinc/66/82/34/1091668234.db2.gz GBVSRVVXFSLVSQ-GFCCVEGCSA-N -1 3 328.376 2.791 20 5 EFBDHM O=[N+]([O-])c1cc(OCc2ccc(-c3nnn[n-]3)cc2)c(F)cc1F ZINC001582803617 1091669096 /nfs/dbraw/zinc/66/90/96/1091669096.db2.gz NYUBTAZOMRLDJN-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1cc(OCc2ccc(-c3nn[n-]n3)cc2)c(F)cc1F ZINC001582803617 1091669102 /nfs/dbraw/zinc/66/91/02/1091669102.db2.gz NYUBTAZOMRLDJN-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NCC1CCC(F)CC1 ZINC001582803322 1091669253 /nfs/dbraw/zinc/66/92/53/1091669253.db2.gz CCHBDFGRMAMIPK-UHFFFAOYSA-N -1 3 338.318 2.854 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NCC1CCC(F)CC1 ZINC001582803322 1091669258 /nfs/dbraw/zinc/66/92/58/1091669258.db2.gz CCHBDFGRMAMIPK-UHFFFAOYSA-N -1 3 338.318 2.854 20 5 EFBDHM CC(C)(C)C(F)(F)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001589092171 1093028646 /nfs/dbraw/zinc/02/86/46/1093028646.db2.gz BYHBXJWASXFGIA-UHFFFAOYSA-N -1 3 326.307 2.868 20 5 EFBDHM CC(C)(C)C(F)(F)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001589092171 1093028653 /nfs/dbraw/zinc/02/86/53/1093028653.db2.gz BYHBXJWASXFGIA-UHFFFAOYSA-N -1 3 326.307 2.868 20 5 EFBDHM CC(C)(C)OC[C@H]1CCCN1c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001589199067 1093046846 /nfs/dbraw/zinc/04/68/46/1093046846.db2.gz VNFBOOPUAZGUKS-GFCCVEGCSA-N -1 3 346.391 2.559 20 5 EFBDHM CC(C)(C)OC[C@H]1CCCN1c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001589199067 1093046852 /nfs/dbraw/zinc/04/68/52/1093046852.db2.gz VNFBOOPUAZGUKS-GFCCVEGCSA-N -1 3 346.391 2.559 20 5 EFBDHM CC(C)(CC(F)(F)F)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001589269797 1093060737 /nfs/dbraw/zinc/06/07/37/1093060737.db2.gz FPZYFXKVXBNEGS-UHFFFAOYSA-N -1 3 330.270 2.918 20 5 EFBDHM CC(C)(CC(F)(F)F)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001589269797 1093060744 /nfs/dbraw/zinc/06/07/44/1093060744.db2.gz FPZYFXKVXBNEGS-UHFFFAOYSA-N -1 3 330.270 2.918 20 5 EFBDHM CC(C)[C@@H]1N(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC12CCC2 ZINC001589520305 1093101915 /nfs/dbraw/zinc/10/19/15/1093101915.db2.gz SQGZDTZJNAEPCW-AWEZNQCLSA-N -1 3 328.376 2.790 20 5 EFBDHM CC(C)[C@@H]1N(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC12CCC2 ZINC001589520305 1093101920 /nfs/dbraw/zinc/10/19/20/1093101920.db2.gz SQGZDTZJNAEPCW-AWEZNQCLSA-N -1 3 328.376 2.790 20 5 EFBDHM CC(C)[C@@H]1OCCC[C@@H]1CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589520942 1093103082 /nfs/dbraw/zinc/10/30/82/1093103082.db2.gz LTNCEWORXLENIJ-ABAIWWIYSA-N -1 3 346.391 2.638 20 5 EFBDHM CC(C)[C@@H]1OCCC[C@@H]1CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589520942 1093103086 /nfs/dbraw/zinc/10/30/86/1093103086.db2.gz LTNCEWORXLENIJ-ABAIWWIYSA-N -1 3 346.391 2.638 20 5 EFBDHM CC(C)C[C@H]1OCCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001589573968 1093110279 /nfs/dbraw/zinc/11/02/79/1093110279.db2.gz PVBPNOFHUKFMCR-LSDHHAIUSA-N -1 3 346.391 2.781 20 5 EFBDHM CC(C)C[C@H]1OCCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001589573968 1093110285 /nfs/dbraw/zinc/11/02/85/1093110285.db2.gz PVBPNOFHUKFMCR-LSDHHAIUSA-N -1 3 346.391 2.781 20 5 EFBDHM CC(C)c1ccc(CNc2cc(-c3nnn[n-]3)ccn2)cc1[N+](=O)[O-] ZINC001589768892 1093138629 /nfs/dbraw/zinc/13/86/29/1093138629.db2.gz SNQDRQHVZLYNQT-UHFFFAOYSA-N -1 3 339.359 2.905 20 5 EFBDHM CC(C)c1ccc(CNc2cc(-c3nn[n-]n3)ccn2)cc1[N+](=O)[O-] ZINC001589768892 1093138633 /nfs/dbraw/zinc/13/86/33/1093138633.db2.gz SNQDRQHVZLYNQT-UHFFFAOYSA-N -1 3 339.359 2.905 20 5 EFBDHM CC(C)c1csc(Sc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])n1 ZINC001589774154 1093142357 /nfs/dbraw/zinc/14/23/57/1093142357.db2.gz XPVKJMOUSFXUSI-UHFFFAOYSA-N -1 3 349.401 2.901 20 5 EFBDHM CC(C)c1csc(Sc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC001589774154 1093142362 /nfs/dbraw/zinc/14/23/62/1093142362.db2.gz XPVKJMOUSFXUSI-UHFFFAOYSA-N -1 3 349.401 2.901 20 5 EFBDHM CC(C)n1ccnc1Sc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001589783274 1093147379 /nfs/dbraw/zinc/14/73/79/1093147379.db2.gz GCDRDBAPFQEHRD-UHFFFAOYSA-N -1 3 331.361 2.704 20 5 EFBDHM CC(C)n1ccnc1Sc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001589783274 1093147382 /nfs/dbraw/zinc/14/73/82/1093147382.db2.gz GCDRDBAPFQEHRD-UHFFFAOYSA-N -1 3 331.361 2.704 20 5 EFBDHM C[C@@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])Oc1ccccc1 ZINC001589875407 1093163266 /nfs/dbraw/zinc/16/32/66/1093163266.db2.gz FJZRYPYGWKAZIW-NSHDSACASA-N -1 3 340.343 2.654 20 5 EFBDHM C[C@@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])Oc1ccccc1 ZINC001589875407 1093163271 /nfs/dbraw/zinc/16/32/71/1093163271.db2.gz FJZRYPYGWKAZIW-NSHDSACASA-N -1 3 340.343 2.654 20 5 EFBDHM C[C@@H](Cc1ccsc1)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589902589 1093174631 /nfs/dbraw/zinc/17/46/31/1093174631.db2.gz PTFJSLQWGGYUOW-VIFPVBQESA-N -1 3 330.373 2.880 20 5 EFBDHM C[C@@H](Cc1ccsc1)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589902589 1093174634 /nfs/dbraw/zinc/17/46/34/1093174634.db2.gz PTFJSLQWGGYUOW-VIFPVBQESA-N -1 3 330.373 2.880 20 5 EFBDHM C[C@H](c1ccco1)N(C)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590051294 1093245824 /nfs/dbraw/zinc/24/58/24/1093245824.db2.gz QGVOPDFHRVHYSO-SNVBAGLBSA-N -1 3 328.332 2.561 20 5 EFBDHM C[C@H](c1ccco1)N(C)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590051294 1093245826 /nfs/dbraw/zinc/24/58/26/1093245826.db2.gz QGVOPDFHRVHYSO-SNVBAGLBSA-N -1 3 328.332 2.561 20 5 EFBDHM CC1(C)CCC[C@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001590095426 1093267356 /nfs/dbraw/zinc/26/73/56/1093267356.db2.gz YQWIPZBVCGLDII-VIFPVBQESA-N -1 3 331.380 2.738 20 5 EFBDHM CC1(C)CCC[C@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001590095426 1093267363 /nfs/dbraw/zinc/26/73/63/1093267363.db2.gz YQWIPZBVCGLDII-VIFPVBQESA-N -1 3 331.380 2.738 20 5 EFBDHM C[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)[C@H](C)C1 ZINC001590237860 1093323908 /nfs/dbraw/zinc/32/39/08/1093323908.db2.gz CQSQYBVVXQDUDO-OPRDCNLKSA-N -1 3 331.380 2.594 20 5 EFBDHM C[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)[C@H](C)C1 ZINC001590237860 1093323910 /nfs/dbraw/zinc/32/39/10/1093323910.db2.gz CQSQYBVVXQDUDO-OPRDCNLKSA-N -1 3 331.380 2.594 20 5 EFBDHM C[C@@H]1CCCC[C@H]1C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590250278 1093338422 /nfs/dbraw/zinc/33/84/22/1093338422.db2.gz OBPHOLJFXQCHDU-GHMZBOCLSA-N -1 3 345.359 2.644 20 5 EFBDHM C[C@@H]1CCCC[C@H]1C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590250278 1093338431 /nfs/dbraw/zinc/33/84/31/1093338431.db2.gz OBPHOLJFXQCHDU-GHMZBOCLSA-N -1 3 345.359 2.644 20 5 EFBDHM C[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)Cc2ccccc21 ZINC001590316287 1093373205 /nfs/dbraw/zinc/37/32/05/1093373205.db2.gz QJSCYQFZBPPVRX-NSHDSACASA-N -1 3 336.355 2.899 20 5 EFBDHM C[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)Cc2ccccc21 ZINC001590316287 1093373211 /nfs/dbraw/zinc/37/32/11/1093373211.db2.gz QJSCYQFZBPPVRX-NSHDSACASA-N -1 3 336.355 2.899 20 5 EFBDHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC001590315580 1093373844 /nfs/dbraw/zinc/37/38/44/1093373844.db2.gz XMFKRDYOKMGHGI-BDJLRTHQSA-N -1 3 336.355 2.972 20 5 EFBDHM C/C=C/C[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590352186 1093386819 /nfs/dbraw/zinc/38/68/19/1093386819.db2.gz BIYSEKBAFARVLV-QAVQXKDTSA-N -1 3 328.376 2.958 20 5 EFBDHM C/C=C/C[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590352186 1093386830 /nfs/dbraw/zinc/38/68/30/1093386830.db2.gz BIYSEKBAFARVLV-QAVQXKDTSA-N -1 3 328.376 2.958 20 5 EFBDHM C/C=C/C[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590352185 1093386869 /nfs/dbraw/zinc/38/68/69/1093386869.db2.gz BIYSEKBAFARVLV-JDGPPOGSSA-N -1 3 328.376 2.958 20 5 EFBDHM C/C=C/C[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590352185 1093386879 /nfs/dbraw/zinc/38/68/79/1093386879.db2.gz BIYSEKBAFARVLV-JDGPPOGSSA-N -1 3 328.376 2.958 20 5 EFBDHM C/C=C/C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001590354408 1093390311 /nfs/dbraw/zinc/39/03/11/1093390311.db2.gz LKGQLGKETVAIKZ-QAVQXKDTSA-N -1 3 328.376 2.958 20 5 EFBDHM C/C=C/C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001590354408 1093390321 /nfs/dbraw/zinc/39/03/21/1093390321.db2.gz LKGQLGKETVAIKZ-QAVQXKDTSA-N -1 3 328.376 2.958 20 5 EFBDHM C/C=C\C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001590354404 1093391008 /nfs/dbraw/zinc/39/10/08/1093391008.db2.gz LKGQLGKETVAIKZ-DLGQBQFBSA-N -1 3 328.376 2.958 20 5 EFBDHM C/C=C\C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001590354404 1093391017 /nfs/dbraw/zinc/39/10/17/1093391017.db2.gz LKGQLGKETVAIKZ-DLGQBQFBSA-N -1 3 328.376 2.958 20 5 EFBDHM CCC1(CC)CCN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590491199 1093451678 /nfs/dbraw/zinc/45/16/78/1093451678.db2.gz OKMQTQQMGSJNNW-UHFFFAOYSA-N -1 3 334.355 2.931 20 5 EFBDHM CCC1(CC)CCN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590491199 1093451684 /nfs/dbraw/zinc/45/16/84/1093451684.db2.gz OKMQTQQMGSJNNW-UHFFFAOYSA-N -1 3 334.355 2.931 20 5 EFBDHM CCC1(CC)CCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001590490618 1093451799 /nfs/dbraw/zinc/45/17/99/1093451799.db2.gz AFWMGAXYCGODCF-UHFFFAOYSA-N -1 3 331.380 2.577 20 5 EFBDHM CCC1(CC)CCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001590490618 1093451804 /nfs/dbraw/zinc/45/18/04/1093451804.db2.gz AFWMGAXYCGODCF-UHFFFAOYSA-N -1 3 331.380 2.577 20 5 EFBDHM CCC[C@@H](C)CC(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590550059 1093480447 /nfs/dbraw/zinc/48/04/47/1093480447.db2.gz OTUQZZNYXQCAOJ-SNVBAGLBSA-N -1 3 333.348 2.644 20 5 EFBDHM CCC[C@@H](C)CC(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590550059 1093480456 /nfs/dbraw/zinc/48/04/56/1093480456.db2.gz OTUQZZNYXQCAOJ-SNVBAGLBSA-N -1 3 333.348 2.644 20 5 EFBDHM CCC[C@]1(C)CCCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590563566 1093490329 /nfs/dbraw/zinc/49/03/29/1093490329.db2.gz JIULUPZIMHBEND-OAHLLOKOSA-N -1 3 331.380 2.577 20 5 EFBDHM CCC[C@]1(C)CCCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590563566 1093490333 /nfs/dbraw/zinc/49/03/33/1093490333.db2.gz JIULUPZIMHBEND-OAHLLOKOSA-N -1 3 331.380 2.577 20 5 EFBDHM CCOC1(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCCC1 ZINC001590783808 1093570110 /nfs/dbraw/zinc/57/01/10/1093570110.db2.gz GZVXZTBIFLBQNI-UHFFFAOYSA-N -1 3 332.364 2.536 20 5 EFBDHM CCOC1(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCCC1 ZINC001590783808 1093570115 /nfs/dbraw/zinc/57/01/15/1093570115.db2.gz GZVXZTBIFLBQNI-UHFFFAOYSA-N -1 3 332.364 2.536 20 5 EFBDHM CCO[C@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C12CCC2 ZINC001590793979 1093574874 /nfs/dbraw/zinc/57/48/74/1093574874.db2.gz SSXZLBXIRCBLIM-KGLIPLIRSA-N -1 3 344.375 2.535 20 5 EFBDHM CCO[C@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C12CCC2 ZINC001590793979 1093574881 /nfs/dbraw/zinc/57/48/81/1093574881.db2.gz SSXZLBXIRCBLIM-KGLIPLIRSA-N -1 3 344.375 2.535 20 5 EFBDHM CCc1csc(Sc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])n1 ZINC001590902403 1093626109 /nfs/dbraw/zinc/62/61/09/1093626109.db2.gz DBEYNIYZECPPLT-UHFFFAOYSA-N -1 3 334.386 2.945 20 5 EFBDHM CCc1csc(Sc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])n1 ZINC001590902403 1093626113 /nfs/dbraw/zinc/62/61/13/1093626113.db2.gz DBEYNIYZECPPLT-UHFFFAOYSA-N -1 3 334.386 2.945 20 5 EFBDHM CN(CCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1-c1nnn[n-]1 ZINC001591120805 1093662243 /nfs/dbraw/zinc/66/22/43/1093662243.db2.gz HBJKIYSQWTUWPU-UHFFFAOYSA-N -1 3 342.334 2.593 20 5 EFBDHM CN(CCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1-c1nn[n-]n1 ZINC001591120805 1093662250 /nfs/dbraw/zinc/66/22/50/1093662250.db2.gz HBJKIYSQWTUWPU-UHFFFAOYSA-N -1 3 342.334 2.593 20 5 EFBDHM CN(CCc1ccc(F)cc1)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001591118832 1093662743 /nfs/dbraw/zinc/66/27/43/1093662743.db2.gz AKEGZWAGYRNVBH-UHFFFAOYSA-N -1 3 342.334 2.593 20 5 EFBDHM CN(CCc1ccc(F)cc1)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591118832 1093662745 /nfs/dbraw/zinc/66/27/45/1093662745.db2.gz AKEGZWAGYRNVBH-UHFFFAOYSA-N -1 3 342.334 2.593 20 5 EFBDHM CN(CCc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1F ZINC001591122258 1093665338 /nfs/dbraw/zinc/66/53/38/1093665338.db2.gz HVCKOZSBOILWIR-UHFFFAOYSA-N -1 3 342.334 2.593 20 5 EFBDHM CN(Cc1ccc(F)cc1F)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001591140269 1093669637 /nfs/dbraw/zinc/66/96/37/1093669637.db2.gz QVIFNYXIFQZYOD-UHFFFAOYSA-N -1 3 346.297 2.690 20 5 EFBDHM CN(Cc1ccc(F)cc1F)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591140269 1093669639 /nfs/dbraw/zinc/66/96/39/1093669639.db2.gz QVIFNYXIFQZYOD-UHFFFAOYSA-N -1 3 346.297 2.690 20 5 EFBDHM CN(Cc1ccc(F)c(F)c1)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001591140341 1093669723 /nfs/dbraw/zinc/66/97/23/1093669723.db2.gz ZCRGJLCOBYBKFQ-UHFFFAOYSA-N -1 3 346.297 2.690 20 5 EFBDHM CN(Cc1ccc(F)c(F)c1)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591140341 1093669725 /nfs/dbraw/zinc/66/97/25/1093669725.db2.gz ZCRGJLCOBYBKFQ-UHFFFAOYSA-N -1 3 346.297 2.690 20 5 EFBDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1[N+](=O)[O-] ZINC001591136548 1093670500 /nfs/dbraw/zinc/67/05/00/1093670500.db2.gz CXSPAASQCDLDJY-UHFFFAOYSA-N -1 3 328.307 2.550 20 5 EFBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1[N+](=O)[O-] ZINC001591136548 1093670507 /nfs/dbraw/zinc/67/05/07/1093670507.db2.gz CXSPAASQCDLDJY-UHFFFAOYSA-N -1 3 328.307 2.550 20 5 EFBDHM CN(Cc1cccc(F)c1)c1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591147140 1093674400 /nfs/dbraw/zinc/67/44/00/1093674400.db2.gz XZXURUBYXVIBMJ-UHFFFAOYSA-N -1 3 346.297 2.690 20 5 EFBDHM CN(Cc1cccc(F)c1)c1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591147140 1093674404 /nfs/dbraw/zinc/67/44/04/1093674404.db2.gz XZXURUBYXVIBMJ-UHFFFAOYSA-N -1 3 346.297 2.690 20 5 EFBDHM CO[C@@H](CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC001591329342 1093694238 /nfs/dbraw/zinc/69/42/38/1093694238.db2.gz PGYHMAZUMYCYGB-HNNXBMFYSA-N -1 3 346.391 2.782 20 5 EFBDHM COCC(C)(C)CCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591368699 1093706539 /nfs/dbraw/zinc/70/65/39/1093706539.db2.gz TUEXKJWQIUDUCE-UHFFFAOYSA-N -1 3 334.380 2.640 20 5 EFBDHM COCC(C)(C)CCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591368699 1093706545 /nfs/dbraw/zinc/70/65/45/1093706545.db2.gz TUEXKJWQIUDUCE-UHFFFAOYSA-N -1 3 334.380 2.640 20 5 EFBDHM COCC1(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CCCCC1 ZINC001591389641 1093713135 /nfs/dbraw/zinc/71/31/35/1093713135.db2.gz QFDIWCOSVYMSPZ-UHFFFAOYSA-N -1 3 346.391 2.784 20 5 EFBDHM COCC1(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CCCCC1 ZINC001591389641 1093713141 /nfs/dbraw/zinc/71/31/41/1093713141.db2.gz QFDIWCOSVYMSPZ-UHFFFAOYSA-N -1 3 346.391 2.784 20 5 EFBDHM COCc1cccc(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001591458125 1093727077 /nfs/dbraw/zinc/72/70/77/1093727077.db2.gz KOKDJAWRCFKOCA-UHFFFAOYSA-N -1 3 326.316 2.665 20 5 EFBDHM COCc1cccc(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001591458125 1093727080 /nfs/dbraw/zinc/72/70/80/1093727080.db2.gz KOKDJAWRCFKOCA-UHFFFAOYSA-N -1 3 326.316 2.665 20 5 EFBDHM COc1cc(-c2nnn[n-]2)ccc1OCc1cccc([N+](=O)[O-])c1C ZINC001591503984 1093742798 /nfs/dbraw/zinc/74/27/98/1093742798.db2.gz YUBLDGGNWMBGGG-UHFFFAOYSA-N -1 3 341.327 2.671 20 5 EFBDHM COc1cc(-c2nn[n-]n2)ccc1OCc1cccc([N+](=O)[O-])c1C ZINC001591503984 1093742803 /nfs/dbraw/zinc/74/28/03/1093742803.db2.gz YUBLDGGNWMBGGG-UHFFFAOYSA-N -1 3 341.327 2.671 20 5 EFBDHM COc1cc(Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])cc(OC)c1 ZINC001591547531 1093763101 /nfs/dbraw/zinc/76/31/01/1093763101.db2.gz CZSUIYAPVFYOEN-UHFFFAOYSA-N -1 3 342.315 2.536 20 5 EFBDHM COc1cc(Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])cc(OC)c1 ZINC001591547531 1093763109 /nfs/dbraw/zinc/76/31/09/1093763109.db2.gz CZSUIYAPVFYOEN-UHFFFAOYSA-N -1 3 342.315 2.536 20 5 EFBDHM COc1cc(Oc2cc(C)ccc2[N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001591553671 1093766340 /nfs/dbraw/zinc/76/63/40/1093766340.db2.gz MHCUMZAOTCUSQE-UHFFFAOYSA-N -1 3 327.300 2.884 20 5 EFBDHM COc1cc(Oc2cc(C)ccc2[N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001591553671 1093766346 /nfs/dbraw/zinc/76/63/46/1093766346.db2.gz MHCUMZAOTCUSQE-UHFFFAOYSA-N -1 3 327.300 2.884 20 5 EFBDHM COc1ccc(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c(OC)c1 ZINC001591617247 1093797763 /nfs/dbraw/zinc/79/77/63/1093797763.db2.gz FCQBPHXXQUIWQT-UHFFFAOYSA-N -1 3 342.315 2.536 20 5 EFBDHM COc1ccc(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c(OC)c1 ZINC001591617247 1093797771 /nfs/dbraw/zinc/79/77/71/1093797771.db2.gz FCQBPHXXQUIWQT-UHFFFAOYSA-N -1 3 342.315 2.536 20 5 EFBDHM COc1ccc([N+](=O)[O-])c(OCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC001591623892 1093803709 /nfs/dbraw/zinc/80/37/09/1093803709.db2.gz WGQWETXPNGAMQI-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM COc1ccc([N+](=O)[O-])c(OCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC001591623892 1093803713 /nfs/dbraw/zinc/80/37/13/1093803713.db2.gz WGQWETXPNGAMQI-UHFFFAOYSA-N -1 3 345.290 2.502 20 5 EFBDHM CSc1cc(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])ccn1 ZINC001591706528 1093836096 /nfs/dbraw/zinc/83/60/96/1093836096.db2.gz FRXGKIYQZSEQFA-UHFFFAOYSA-N -1 3 343.372 2.504 20 5 EFBDHM CSc1cc(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])ccn1 ZINC001591706528 1093836101 /nfs/dbraw/zinc/83/61/01/1093836101.db2.gz FRXGKIYQZSEQFA-UHFFFAOYSA-N -1 3 343.372 2.504 20 5 EFBDHM CSc1ccc(CNc2ccc([N+](=O)[O-])cn2)cc1-c1nnn[n-]1 ZINC001591714224 1093839308 /nfs/dbraw/zinc/83/93/08/1093839308.db2.gz XFZXAQLDLRYLBV-UHFFFAOYSA-N -1 3 343.372 2.504 20 5 EFBDHM CSc1ccc(CNc2ccc([N+](=O)[O-])cn2)cc1-c1nn[n-]n1 ZINC001591714224 1093839316 /nfs/dbraw/zinc/83/93/16/1093839316.db2.gz XFZXAQLDLRYLBV-UHFFFAOYSA-N -1 3 343.372 2.504 20 5 EFBDHM Cc1c(C(=O)OCc2csc([N+](=O)[O-])c2)cccc1-c1nnn[n-]1 ZINC001591815102 1093868769 /nfs/dbraw/zinc/86/87/69/1093868769.db2.gz OWYABRQQXORNTE-UHFFFAOYSA-N -1 3 345.340 2.502 20 5 EFBDHM Cc1c(C(=O)OCc2csc([N+](=O)[O-])c2)cccc1-c1nn[n-]n1 ZINC001591815102 1093868776 /nfs/dbraw/zinc/86/87/76/1093868776.db2.gz OWYABRQQXORNTE-UHFFFAOYSA-N -1 3 345.340 2.502 20 5 EFBDHM Cc1c(CSc2ccncc2-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591819225 1093870591 /nfs/dbraw/zinc/87/05/91/1093870591.db2.gz XFAOXNJXTGLWTF-UHFFFAOYSA-N -1 3 328.357 2.771 20 5 EFBDHM Cc1c(CSc2ccncc2-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591819225 1093870597 /nfs/dbraw/zinc/87/05/97/1093870597.db2.gz XFAOXNJXTGLWTF-UHFFFAOYSA-N -1 3 328.357 2.771 20 5 EFBDHM Cc1cc(-c2nnn[n-]2)cc(Oc2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC001591860364 1093897605 /nfs/dbraw/zinc/89/76/05/1093897605.db2.gz KLTZRMFNIPIUCS-UHFFFAOYSA-N -1 3 332.707 2.924 20 5 EFBDHM Cc1cc(-c2nn[n-]n2)cc(Oc2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC001591860364 1093897607 /nfs/dbraw/zinc/89/76/07/1093897607.db2.gz KLTZRMFNIPIUCS-UHFFFAOYSA-N -1 3 332.707 2.924 20 5 EFBDHM Cc1cc(NC(=O)c2cccc(-c3nnn[n-]3)c2C)ccc1[N+](=O)[O-] ZINC001592030896 1093960531 /nfs/dbraw/zinc/96/05/31/1093960531.db2.gz AFIAKOPQPDHXCA-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM Cc1cc(NC(=O)c2cccc(-c3nn[n-]n3)c2C)ccc1[N+](=O)[O-] ZINC001592030896 1093960537 /nfs/dbraw/zinc/96/05/37/1093960537.db2.gz AFIAKOPQPDHXCA-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM Cc1ccc([C@@H](C)Nc2cc(C)c(-c3nnn[n-]3)cn2)cc1[N+](=O)[O-] ZINC001592035281 1093962455 /nfs/dbraw/zinc/96/24/55/1093962455.db2.gz ULWSBUJFCCWEAM-LLVKDONJSA-N -1 3 339.359 2.960 20 5 EFBDHM Cc1ccc([C@@H](C)Nc2cc(C)c(-c3nn[n-]n3)cn2)cc1[N+](=O)[O-] ZINC001592035281 1093962459 /nfs/dbraw/zinc/96/24/59/1093962459.db2.gz ULWSBUJFCCWEAM-LLVKDONJSA-N -1 3 339.359 2.960 20 5 EFBDHM Cc1cc(N[C@@H]2CCS[C@H](C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592041153 1093963336 /nfs/dbraw/zinc/96/33/36/1093963336.db2.gz ZNUWBMXIUXYAJW-NXEZZACHSA-N -1 3 334.405 2.779 20 5 EFBDHM Cc1cc(N[C@@H]2CCS[C@H](C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592041153 1093963339 /nfs/dbraw/zinc/96/33/39/1093963339.db2.gz ZNUWBMXIUXYAJW-NXEZZACHSA-N -1 3 334.405 2.779 20 5 EFBDHM Cc1cc(NC2CC3(CC3(F)F)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592036317 1093963784 /nfs/dbraw/zinc/96/37/84/1093963784.db2.gz JPCJXXBMCLQFGL-UHFFFAOYSA-N -1 3 336.302 2.683 20 5 EFBDHM Cc1cc(NC2CC3(CC3(F)F)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592036317 1093963792 /nfs/dbraw/zinc/96/37/92/1093963792.db2.gz JPCJXXBMCLQFGL-UHFFFAOYSA-N -1 3 336.302 2.683 20 5 EFBDHM Cc1cc(N[C@H]2C[C@@H]3[C@H](C2)C3(F)F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592036210 1093964227 /nfs/dbraw/zinc/96/42/27/1093964227.db2.gz HKLCXPPMIQIBQB-LETLQTKMSA-N -1 3 336.302 2.539 20 5 EFBDHM Cc1cc(N[C@H]2C[C@@H]3[C@H](C2)C3(F)F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592036210 1093964230 /nfs/dbraw/zinc/96/42/30/1093964230.db2.gz HKLCXPPMIQIBQB-LETLQTKMSA-N -1 3 336.302 2.539 20 5 EFBDHM Cc1cc(NCCc2ccsc2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592051078 1093967499 /nfs/dbraw/zinc/96/74/99/1093967499.db2.gz HRIYPKVBHNDSRN-UHFFFAOYSA-N -1 3 330.373 2.799 20 5 EFBDHM Cc1cc(NCCc2ccsc2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592051078 1093967504 /nfs/dbraw/zinc/96/75/04/1093967504.db2.gz HRIYPKVBHNDSRN-UHFFFAOYSA-N -1 3 330.373 2.799 20 5 EFBDHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)c(F)cc1[N+](=O)[O-] ZINC001592058979 1093971105 /nfs/dbraw/zinc/97/11/05/1093971105.db2.gz KNRGQXKVOILKFC-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)c(F)cc1[N+](=O)[O-] ZINC001592058979 1093971108 /nfs/dbraw/zinc/97/11/08/1093971108.db2.gz KNRGQXKVOILKFC-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1cc(S[C@H]2COC(C)(C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592066840 1093972061 /nfs/dbraw/zinc/97/20/61/1093972061.db2.gz FBGBRRNLYBVMJD-SECBINFHSA-N -1 3 335.389 2.743 20 5 EFBDHM Cc1cc(S[C@H]2COC(C)(C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592066840 1093972063 /nfs/dbraw/zinc/97/20/63/1093972063.db2.gz FBGBRRNLYBVMJD-SECBINFHSA-N -1 3 335.389 2.743 20 5 EFBDHM Cc1ccc(-c2nnn[n-]2)c(NC[C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC001592085454 1093976761 /nfs/dbraw/zinc/97/67/61/1093976761.db2.gz WABDLXCJHHKOIJ-JTQLQIEISA-N -1 3 339.359 2.694 20 5 EFBDHM Cc1ccc(-c2nn[n-]n2)c(NC[C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC001592085454 1093976764 /nfs/dbraw/zinc/97/67/64/1093976764.db2.gz WABDLXCJHHKOIJ-JTQLQIEISA-N -1 3 339.359 2.694 20 5 EFBDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC001592107017 1093982901 /nfs/dbraw/zinc/98/29/01/1093982901.db2.gz IGRNTZGMQUZCPE-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC001592107017 1093982904 /nfs/dbraw/zinc/98/29/04/1093982904.db2.gz IGRNTZGMQUZCPE-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM Cc1ccc([C@H](C)CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC001592135917 1093993695 /nfs/dbraw/zinc/99/36/95/1093993695.db2.gz YXOBVOWOLSPJCT-LLVKDONJSA-N -1 3 339.359 2.694 20 5 EFBDHM Cc1ccc([C@H](C)CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC001592135917 1093993700 /nfs/dbraw/zinc/99/37/00/1093993700.db2.gz YXOBVOWOLSPJCT-LLVKDONJSA-N -1 3 339.359 2.694 20 5 EFBDHM Cc1ccc(CN(C)Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])s1 ZINC001592152269 1094002306 /nfs/dbraw/zinc/00/23/06/1094002306.db2.gz ILWHNKJNRIKDJM-UHFFFAOYSA-N -1 3 344.400 2.777 20 5 EFBDHM Cc1ccc(CN(C)Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])s1 ZINC001592152269 1094002311 /nfs/dbraw/zinc/00/23/11/1094002311.db2.gz ILWHNKJNRIKDJM-UHFFFAOYSA-N -1 3 344.400 2.777 20 5 EFBDHM Cc1ccc(COc2cc(F)cc([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC001592169969 1094014310 /nfs/dbraw/zinc/01/43/10/1094014310.db2.gz IKQJMEGEHXHKQF-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1ccc(COc2cc(F)cc([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC001592169969 1094014317 /nfs/dbraw/zinc/01/43/17/1094014317.db2.gz IKQJMEGEHXHKQF-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1ccc(COc2cc(F)ccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001592169316 1094014927 /nfs/dbraw/zinc/01/49/27/1094014927.db2.gz CLLNIGAVUSRSNK-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1ccc(COc2cc(F)ccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001592169316 1094014930 /nfs/dbraw/zinc/01/49/30/1094014930.db2.gz CLLNIGAVUSRSNK-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(OCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001592198116 1094026202 /nfs/dbraw/zinc/02/62/02/1094026202.db2.gz YDVFJUYNTCUJKY-UHFFFAOYSA-N -1 3 341.327 2.541 20 5 EFBDHM Cc1ccc(OCCOc2ccccc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001592191555 1094026260 /nfs/dbraw/zinc/02/62/60/1094026260.db2.gz VFSNWLDDHPJFKQ-UHFFFAOYSA-N -1 3 341.327 2.541 20 5 EFBDHM Cc1ccc(OCCOc2ccccc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001592191555 1094026264 /nfs/dbraw/zinc/02/62/64/1094026264.db2.gz VFSNWLDDHPJFKQ-UHFFFAOYSA-N -1 3 341.327 2.541 20 5 EFBDHM Cc1cccc(-c2nnn[n-]2)c1SCc1cccnc1[N+](=O)[O-] ZINC001592215096 1094032406 /nfs/dbraw/zinc/03/24/06/1094032406.db2.gz IFFGQGXDVGRVEI-UHFFFAOYSA-N -1 3 328.357 2.771 20 5 EFBDHM Cc1cccc(-c2nn[n-]n2)c1SCc1cccnc1[N+](=O)[O-] ZINC001592215096 1094032411 /nfs/dbraw/zinc/03/24/11/1094032411.db2.gz IFFGQGXDVGRVEI-UHFFFAOYSA-N -1 3 328.357 2.771 20 5 EFBDHM Cc1cccc(F)c1CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592232680 1094041884 /nfs/dbraw/zinc/04/18/84/1094041884.db2.gz BRKOPUYCHPGLBK-UHFFFAOYSA-N -1 3 346.297 2.974 20 5 EFBDHM Cc1cccc(F)c1CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592232680 1094041887 /nfs/dbraw/zinc/04/18/87/1094041887.db2.gz BRKOPUYCHPGLBK-UHFFFAOYSA-N -1 3 346.297 2.974 20 5 EFBDHM Cc1ccccc1CN(C)c1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592256909 1094055172 /nfs/dbraw/zinc/05/51/72/1094055172.db2.gz YNSFTWIWLUKURB-UHFFFAOYSA-N -1 3 342.334 2.859 20 5 EFBDHM Cc1ccccc1CN(C)c1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592256909 1094055179 /nfs/dbraw/zinc/05/51/79/1094055179.db2.gz YNSFTWIWLUKURB-UHFFFAOYSA-N -1 3 342.334 2.859 20 5 EFBDHM Cc1ccccc1Sc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001592259660 1094057599 /nfs/dbraw/zinc/05/75/99/1094057599.db2.gz QZJVOXFVIKKBEX-UHFFFAOYSA-N -1 3 328.357 2.817 20 5 EFBDHM Cc1ccccc1Sc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001592259660 1094057607 /nfs/dbraw/zinc/05/76/07/1094057607.db2.gz QZJVOXFVIKKBEX-UHFFFAOYSA-N -1 3 328.357 2.817 20 5 EFBDHM Cc1cccnc1[C@@H](C)Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001592264311 1094058852 /nfs/dbraw/zinc/05/88/52/1094058852.db2.gz OSTXZDSMWIHAEJ-SNVBAGLBSA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1cccnc1[C@@H](C)Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001592264311 1094058857 /nfs/dbraw/zinc/05/88/57/1094058857.db2.gz OSTXZDSMWIHAEJ-SNVBAGLBSA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1cccnc1[C@@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001592264363 1094059187 /nfs/dbraw/zinc/05/91/87/1094059187.db2.gz QRHHYOJVRYVUOA-SNVBAGLBSA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1cccnc1[C@@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001592264363 1094059191 /nfs/dbraw/zinc/05/91/91/1094059191.db2.gz QRHHYOJVRYVUOA-SNVBAGLBSA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1ccnc(SCc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001592276251 1094062198 /nfs/dbraw/zinc/06/21/98/1094062198.db2.gz KOTQTMAMIOYKDC-UHFFFAOYSA-N -1 3 328.357 2.771 20 5 EFBDHM Cc1ccnc(SCc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001592276251 1094062203 /nfs/dbraw/zinc/06/22/03/1094062203.db2.gz KOTQTMAMIOYKDC-UHFFFAOYSA-N -1 3 328.357 2.771 20 5 EFBDHM Cc1cnc(Sc2cccc(F)c2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001592294369 1094068201 /nfs/dbraw/zinc/06/82/01/1094068201.db2.gz CFMXFERZACDERY-UHFFFAOYSA-N -1 3 332.320 2.769 20 5 EFBDHM Cc1nc(C)c(CNc2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)s1 ZINC001592357575 1094087005 /nfs/dbraw/zinc/08/70/05/1094087005.db2.gz RYZWOGOAESNWLA-UHFFFAOYSA-N -1 3 345.388 2.769 20 5 EFBDHM Cc1nc(C)c(CNc2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)s1 ZINC001592357575 1094087013 /nfs/dbraw/zinc/08/70/13/1094087013.db2.gz RYZWOGOAESNWLA-UHFFFAOYSA-N -1 3 345.388 2.769 20 5 EFBDHM Cc1nc(CCNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])sc1C ZINC001592359670 1094089576 /nfs/dbraw/zinc/08/95/76/1094089576.db2.gz LEGAOJDAESQNMG-UHFFFAOYSA-N -1 3 345.388 2.503 20 5 EFBDHM Cc1nc(CCNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])sc1C ZINC001592359670 1094089580 /nfs/dbraw/zinc/08/95/80/1094089580.db2.gz LEGAOJDAESQNMG-UHFFFAOYSA-N -1 3 345.388 2.503 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(NC[C@H]2C[C@@H]2C2CCCC2)c1-c1nnn[n-]1 ZINC001592758071 1094184502 /nfs/dbraw/zinc/18/45/02/1094184502.db2.gz RSHDZEROVPMERE-GHMZBOCLSA-N -1 3 343.391 2.595 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(NC[C@H]2C[C@@H]2C2CCCC2)c1-c1nn[n-]n1 ZINC001592758071 1094184504 /nfs/dbraw/zinc/18/45/04/1094184504.db2.gz RSHDZEROVPMERE-GHMZBOCLSA-N -1 3 343.391 2.595 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(N[C@H]2C[C@@H]2C2CCCCC2)c1-c1nnn[n-]1 ZINC001592757255 1094184667 /nfs/dbraw/zinc/18/46/67/1094184667.db2.gz IURHXTJCOJBDNU-PWSUYJOCSA-N -1 3 343.391 2.738 20 5 EFBDHM Nc1c([N+](=O)[O-])ccc(N[C@H]2C[C@@H]2C2CCCCC2)c1-c1nn[n-]n1 ZINC001592757255 1094184670 /nfs/dbraw/zinc/18/46/70/1094184670.db2.gz IURHXTJCOJBDNU-PWSUYJOCSA-N -1 3 343.391 2.738 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1CCC2(CCC2)CC1 ZINC001593468347 1094311252 /nfs/dbraw/zinc/31/12/52/1094311252.db2.gz DNNDRHQMVUAOTF-UHFFFAOYSA-N -1 3 332.339 2.685 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1CCC2(CCC2)CC1 ZINC001593468347 1094311263 /nfs/dbraw/zinc/31/12/63/1094311263.db2.gz DNNDRHQMVUAOTF-UHFFFAOYSA-N -1 3 332.339 2.685 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1COc1ccc(F)cc1F ZINC001593468691 1094311717 /nfs/dbraw/zinc/31/17/17/1094311717.db2.gz RIJROAYCHPEWBB-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1COc1ccc(F)cc1F ZINC001593468691 1094311723 /nfs/dbraw/zinc/31/17/23/1094311723.db2.gz RIJROAYCHPEWBB-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(NC2CCC2)cc1NC1CCC1 ZINC001593467808 1094312099 /nfs/dbraw/zinc/31/20/99/1094312099.db2.gz WADJCBCUCCNCDH-UHFFFAOYSA-N -1 3 329.364 2.704 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(NC2CCC2)cc1NC1CCC1 ZINC001593467808 1094312106 /nfs/dbraw/zinc/31/21/06/1094312106.db2.gz WADJCBCUCCNCDH-UHFFFAOYSA-N -1 3 329.364 2.704 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC001593467977 1094312347 /nfs/dbraw/zinc/31/23/47/1094312347.db2.gz HKVPAEZORMTSQA-KDOFPFPSSA-N -1 3 348.366 2.553 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC001593467977 1094312360 /nfs/dbraw/zinc/31/23/60/1094312360.db2.gz HKVPAEZORMTSQA-KDOFPFPSSA-N -1 3 348.366 2.553 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Cn1cnc(-c2ccccc2)c1 ZINC001593468231 1094312955 /nfs/dbraw/zinc/31/29/55/1094312955.db2.gz LBSNWVAXZFUJKP-UHFFFAOYSA-N -1 3 347.338 2.687 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Cn1cnc(-c2ccccc2)c1 ZINC001593468231 1094312961 /nfs/dbraw/zinc/31/29/61/1094312961.db2.gz LBSNWVAXZFUJKP-UHFFFAOYSA-N -1 3 347.338 2.687 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H](C1CCC1)[C@@H]1CCCO1 ZINC001593467988 1094313057 /nfs/dbraw/zinc/31/30/57/1094313057.db2.gz HNCWNYXUPTZNJJ-GJZGRUSLSA-N -1 3 344.375 2.535 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H](C1CCC1)[C@@H]1CCCO1 ZINC001593467988 1094313071 /nfs/dbraw/zinc/31/30/71/1094313071.db2.gz HNCWNYXUPTZNJJ-GJZGRUSLSA-N -1 3 344.375 2.535 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1CSC[C@H]1CCCCO1 ZINC001593469133 1094313143 /nfs/dbraw/zinc/31/31/43/1094313143.db2.gz XLWYYQGUKVEOTE-GFCCVEGCSA-N -1 3 335.389 2.577 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1CSC[C@H]1CCCCO1 ZINC001593469133 1094313151 /nfs/dbraw/zinc/31/31/51/1094313151.db2.gz XLWYYQGUKVEOTE-GFCCVEGCSA-N -1 3 335.389 2.577 20 5 EFBDHM O=[N+]([O-])c1cc(F)ccc1CNc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001593471644 1094313770 /nfs/dbraw/zinc/31/37/70/1094313770.db2.gz QTJUBKQKROXZED-UHFFFAOYSA-N -1 3 332.270 2.665 20 5 EFBDHM O=[N+]([O-])c1cc(F)ccc1CNc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001593471644 1094313782 /nfs/dbraw/zinc/31/37/82/1094313782.db2.gz QTJUBKQKROXZED-UHFFFAOYSA-N -1 3 332.270 2.665 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1CCOCC12CCCC2 ZINC001593469848 1094313844 /nfs/dbraw/zinc/31/38/44/1094313844.db2.gz AUJQENZJTYFBDX-CQSZACIVSA-N -1 3 344.375 2.536 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCOCC12CCCC2 ZINC001593469848 1094313855 /nfs/dbraw/zinc/31/38/55/1094313855.db2.gz AUJQENZJTYFBDX-CQSZACIVSA-N -1 3 344.375 2.536 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Oc1cccc2c1OCCC2 ZINC001593471827 1094314849 /nfs/dbraw/zinc/31/48/49/1094314849.db2.gz ZLVYVUFSCWWHKF-UHFFFAOYSA-N -1 3 339.311 2.892 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Oc1cccc2c1OCCC2 ZINC001593471827 1094314861 /nfs/dbraw/zinc/31/48/61/1094314861.db2.gz ZLVYVUFSCWWHKF-UHFFFAOYSA-N -1 3 339.311 2.892 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@@H]1C[C@H]1c1ccccc1 ZINC001593471825 1094315146 /nfs/dbraw/zinc/31/51/46/1094315146.db2.gz VELSOFCSSYXUDJ-KBPBESRZSA-N -1 3 336.355 2.991 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@@H]1C[C@H]1c1ccccc1 ZINC001593471825 1094315153 /nfs/dbraw/zinc/31/51/53/1094315153.db2.gz VELSOFCSSYXUDJ-KBPBESRZSA-N -1 3 336.355 2.991 20 5 EFBDHM O=[N+]([O-])c1cc(N2CCCC[C@@H]2C2CCC2)ccc1-c1nnn[n-]1 ZINC001593471562 1094315557 /nfs/dbraw/zinc/31/55/57/1094315557.db2.gz NEOWVCMWWBFTQM-CQSZACIVSA-N -1 3 328.376 2.934 20 5 EFBDHM O=[N+]([O-])c1cc(N2CCS[C@@H]3CCCC[C@H]32)ccc1-c1nnn[n-]1 ZINC001593470603 1094316198 /nfs/dbraw/zinc/31/61/98/1094316198.db2.gz GDYBVRLGHRNVOW-TZMCWYRMSA-N -1 3 346.416 2.639 20 5 EFBDHM O=[N+]([O-])c1cc(C=Cc2ccc(-c3nnn[n-]3)cn2)ccc1Cl ZINC001593473205 1094316342 /nfs/dbraw/zinc/31/63/42/1094316342.db2.gz PYCCPBCPQOVWAI-DAFODLJHSA-N -1 3 328.719 2.994 20 5 EFBDHM O=[N+]([O-])c1cc(C=Cc2ccc(-c3nn[n-]n3)cn2)ccc1Cl ZINC001593473205 1094316351 /nfs/dbraw/zinc/31/63/51/1094316351.db2.gz PYCCPBCPQOVWAI-DAFODLJHSA-N -1 3 328.719 2.994 20 5 EFBDHM O=[N+]([O-])c1cc(NCCc2cc(F)cc(F)c2)ccc1-c1nnn[n-]1 ZINC001593473709 1094317349 /nfs/dbraw/zinc/31/73/49/1094317349.db2.gz JXSKULHVXJEAEK-UHFFFAOYSA-N -1 3 346.297 2.708 20 5 EFBDHM O=[N+]([O-])c1cc(NCCc2cccc(F)c2F)ccc1-c1nnn[n-]1 ZINC001593474040 1094317850 /nfs/dbraw/zinc/31/78/50/1094317850.db2.gz OHGFDMPKWKLCMH-UHFFFAOYSA-N -1 3 346.297 2.708 20 5 EFBDHM O=[N+]([O-])c1ccc(C=Cc2ccncc2-c2nnn[n-]2)cc1Cl ZINC001593476263 1094319981 /nfs/dbraw/zinc/31/99/81/1094319981.db2.gz WCWNPTQVOFAAER-HNQUOIGGSA-N -1 3 328.719 2.994 20 5 EFBDHM O=[N+]([O-])c1ccc(C=Cc2ccncc2-c2nn[n-]n2)cc1Cl ZINC001593476263 1094319989 /nfs/dbraw/zinc/31/99/89/1094319989.db2.gz WCWNPTQVOFAAER-HNQUOIGGSA-N -1 3 328.719 2.994 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CCC(C(F)(F)F)CC1 ZINC001593476566 1094320777 /nfs/dbraw/zinc/32/07/77/1094320777.db2.gz YQEHUBJCMIKKJF-UHFFFAOYSA-N -1 3 342.281 2.554 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CCC(C(F)(F)F)CC1 ZINC001593476566 1094320788 /nfs/dbraw/zinc/32/07/88/1094320788.db2.gz YQEHUBJCMIKKJF-UHFFFAOYSA-N -1 3 342.281 2.554 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CC(c2ccc(F)cc2)C1 ZINC001593480246 1094323264 /nfs/dbraw/zinc/32/32/64/1094323264.db2.gz GXGHHGVRDZCWOX-UHFFFAOYSA-N -1 3 340.318 2.518 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CC(c2ccc(F)cc2)C1 ZINC001593480246 1094323269 /nfs/dbraw/zinc/32/32/69/1094323269.db2.gz GXGHHGVRDZCWOX-UHFFFAOYSA-N -1 3 340.318 2.518 20 5 EFBDHM O=[N+]([O-])c1ccc(N2C[C@@H](C3CC3)C[C@H]2C2CC2)c(-c2nnn[n-]2)c1 ZINC001593479270 1094323525 /nfs/dbraw/zinc/32/35/25/1094323525.db2.gz WFYGAUKBQFKXRB-LRDDRELGSA-N -1 3 340.387 2.790 20 5 EFBDHM O=[N+]([O-])c1ccc(N2C[C@@H](C3CC3)C[C@H]2C2CC2)c(-c2nn[n-]n2)c1 ZINC001593479270 1094323531 /nfs/dbraw/zinc/32/35/31/1094323531.db2.gz WFYGAUKBQFKXRB-LRDDRELGSA-N -1 3 340.387 2.790 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@H]2CCOC23CCCCC3)c(-c2nnn[n-]2)c1 ZINC001593478804 1094324661 /nfs/dbraw/zinc/32/46/61/1094324661.db2.gz YBALQRTXFJBEDS-AWEZNQCLSA-N -1 3 344.375 2.679 20 5 EFBDHM O=[N+]([O-])c1ccc(N[C@H]2CCOC23CCCCC3)c(-c2nn[n-]n2)c1 ZINC001593478804 1094324668 /nfs/dbraw/zinc/32/46/68/1094324668.db2.gz YBALQRTXFJBEDS-AWEZNQCLSA-N -1 3 344.375 2.679 20 5 EFBDHM O=[N+]([O-])c1ccc2nc(NCc3ccc(-c4nnn[n-]4)cc3)ccc2c1 ZINC001593480518 1094325271 /nfs/dbraw/zinc/32/52/71/1094325271.db2.gz OSVHAJQZKIJUQF-UHFFFAOYSA-N -1 3 347.338 2.935 20 5 EFBDHM O=[N+]([O-])c1ccc2nc(NCc3ccc(-c4nn[n-]n4)cc3)ccc2c1 ZINC001593480518 1094325273 /nfs/dbraw/zinc/32/52/73/1094325273.db2.gz OSVHAJQZKIJUQF-UHFFFAOYSA-N -1 3 347.338 2.935 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCCc1ccc2[nH]ccc2c1 ZINC001593483505 1094325990 /nfs/dbraw/zinc/32/59/90/1094325990.db2.gz RQELJRGRTQJZRP-UHFFFAOYSA-N -1 3 349.354 2.911 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCCc1ccc2[nH]ccc2c1 ZINC001593483505 1094325998 /nfs/dbraw/zinc/32/59/98/1094325998.db2.gz RQELJRGRTQJZRP-UHFFFAOYSA-N -1 3 349.354 2.911 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N[C@H](c1cccnc1)C1CC1 ZINC001593481973 1094326275 /nfs/dbraw/zinc/32/62/75/1094326275.db2.gz TYPMMSRNPOHDTI-AWEZNQCLSA-N -1 3 337.343 2.733 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N[C@H](c1cccnc1)C1CC1 ZINC001593481973 1094326281 /nfs/dbraw/zinc/32/62/81/1094326281.db2.gz TYPMMSRNPOHDTI-AWEZNQCLSA-N -1 3 337.343 2.733 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC001593481562 1094326397 /nfs/dbraw/zinc/32/63/97/1094326397.db2.gz RVFSOICCMKLYIP-ISTRZQFTSA-N -1 3 348.366 2.915 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC001593481562 1094326400 /nfs/dbraw/zinc/32/64/00/1094326400.db2.gz RVFSOICCMKLYIP-ISTRZQFTSA-N -1 3 348.366 2.915 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001593481558 1094326831 /nfs/dbraw/zinc/32/68/31/1094326831.db2.gz RTMNFKUQBGFILV-NWDGAFQWSA-N -1 3 328.376 2.791 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001593481558 1094326834 /nfs/dbraw/zinc/32/68/34/1094326834.db2.gz RTMNFKUQBGFILV-NWDGAFQWSA-N -1 3 328.376 2.791 20 5 EFBDHM O=[N+]([O-])c1cccc(F)c1NCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001593483846 1094327265 /nfs/dbraw/zinc/32/72/65/1094327265.db2.gz MBMBGEMXAHVLPD-UHFFFAOYSA-N -1 3 332.270 2.665 20 5 EFBDHM O=[N+]([O-])c1cccc(F)c1NCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001593483846 1094327273 /nfs/dbraw/zinc/32/72/73/1094327273.db2.gz MBMBGEMXAHVLPD-UHFFFAOYSA-N -1 3 332.270 2.665 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CC[C@H]2CCCC[C@@H]2C1 ZINC001593481560 1094327406 /nfs/dbraw/zinc/32/74/06/1094327406.db2.gz RTMNFKUQBGFILV-VXGBXAGGSA-N -1 3 328.376 2.791 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CC[C@H]2CCCC[C@@H]2C1 ZINC001593481560 1094327414 /nfs/dbraw/zinc/32/74/14/1094327414.db2.gz RTMNFKUQBGFILV-VXGBXAGGSA-N -1 3 328.376 2.791 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CC(Cc2cccs2)C1 ZINC001593480251 1094327821 /nfs/dbraw/zinc/32/78/21/1094327821.db2.gz HIBUAMSYYPGJNE-UHFFFAOYSA-N -1 3 342.384 2.515 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CC(Cc2cccs2)C1 ZINC001593480251 1094327829 /nfs/dbraw/zinc/32/78/29/1094327829.db2.gz HIBUAMSYYPGJNE-UHFFFAOYSA-N -1 3 342.384 2.515 20 5 EFBDHM O=[N+]([O-])c1ncccc1Oc1ncc(-c2nnn[n-]2)c2ccsc21 ZINC001593487758 1094329302 /nfs/dbraw/zinc/32/93/02/1094329302.db2.gz LDKCFZFXGCCIEW-UHFFFAOYSA-N -1 3 341.312 2.572 20 5 EFBDHM O=[N+]([O-])c1ncccc1Oc1ncc(-c2nn[n-]n2)c2ccsc21 ZINC001593487758 1094329316 /nfs/dbraw/zinc/32/93/16/1094329316.db2.gz LDKCFZFXGCCIEW-UHFFFAOYSA-N -1 3 341.312 2.572 20 5 EFBDHM O=[N+]([O-])c1cccc(SCCOc2ccccc2-c2nnn[n-]2)c1 ZINC001593485623 1094330290 /nfs/dbraw/zinc/33/02/90/1094330290.db2.gz SRCAWCYBZDXNOZ-UHFFFAOYSA-N -1 3 343.368 2.946 20 5 EFBDHM O=[N+]([O-])c1cccc(SCCOc2ccccc2-c2nn[n-]n2)c1 ZINC001593485623 1094330302 /nfs/dbraw/zinc/33/03/02/1094330302.db2.gz SRCAWCYBZDXNOZ-UHFFFAOYSA-N -1 3 343.368 2.946 20 5 EFBDHM Cc1c(CN[C@H](C(=O)[O-])c2ccc3c(c2)CCO3)cccc1[N+](=O)[O-] ZINC001600012077 1094720458 /nfs/dbraw/zinc/72/04/58/1094720458.db2.gz SYGSLRJBXPGLOT-KRWDZBQOSA-N -1 3 342.351 2.754 20 5 EFBDHM Cc1cccc(C)c1CNCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001600520122 1095131596 /nfs/dbraw/zinc/13/15/96/1095131596.db2.gz MBEDTFIHKIDQSR-UHFFFAOYSA-N -1 3 344.367 2.965 20 5 EFBDHM O=C([O-])[C@H](Cc1cc2ccccc2o1)NCc1cccnc1[N+](=O)[O-] ZINC001601657707 1095788541 /nfs/dbraw/zinc/78/85/41/1095788541.db2.gz OZGWNDDNUBTMBI-AWEZNQCLSA-N -1 3 341.323 2.522 20 5 EFBDHM O=C([O-])COc1ccc(CN2CC[C@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC001602083326 1096053234 /nfs/dbraw/zinc/05/32/34/1096053234.db2.gz LYSWQJBGOTXYTQ-AWEZNQCLSA-N -1 3 334.372 2.680 20 5 EFBDHM O=C([O-])COc1ccc(CN2CC[C@@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC001602083327 1096053509 /nfs/dbraw/zinc/05/35/09/1096053509.db2.gz LYSWQJBGOTXYTQ-CQSZACIVSA-N -1 3 334.372 2.680 20 5 EFBDHM O=C([O-])c1ccc(CNCCc2ccc(Cl)cc2[N+](=O)[O-])nc1 ZINC001602347149 1096194782 /nfs/dbraw/zinc/19/47/82/1096194782.db2.gz CMFZDEXBKHENKN-UHFFFAOYSA-N -1 3 335.747 2.674 20 5 EFBDHM O=C([O-])c1cnc(CCNCc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC001602516926 1096277358 /nfs/dbraw/zinc/27/73/58/1096277358.db2.gz FCPTYFUVUFHVTL-UHFFFAOYSA-N -1 3 341.776 2.735 20 5 EFBDHM CC(C)(C)O[C@H]1C[C@H](Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001603104825 1096443724 /nfs/dbraw/zinc/44/37/24/1096443724.db2.gz WSSRZICCAVUEQW-MGCOHNPYSA-N -1 3 332.364 2.533 20 5 EFBDHM CC(C)(C)O[C@H]1C[C@H](Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001603104825 1096443726 /nfs/dbraw/zinc/44/37/26/1096443726.db2.gz WSSRZICCAVUEQW-MGCOHNPYSA-N -1 3 332.364 2.533 20 5 EFBDHM CC(C)[C@@H]1CCN1c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001603245655 1096483901 /nfs/dbraw/zinc/48/39/01/1096483901.db2.gz KGMXBYOZFSYEHT-AWEZNQCLSA-N -1 3 339.359 2.558 20 5 EFBDHM CC(C)[C@@H]1CCN1c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001603245655 1096483906 /nfs/dbraw/zinc/48/39/06/1096483906.db2.gz KGMXBYOZFSYEHT-AWEZNQCLSA-N -1 3 339.359 2.558 20 5 EFBDHM CC(C)[C@@H]1N(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC12CC=CC2 ZINC001603254599 1096487012 /nfs/dbraw/zinc/48/70/12/1096487012.db2.gz XZZSQXDJNBVTHL-HNNXBMFYSA-N -1 3 340.387 2.956 20 5 EFBDHM CC(C)CC1(CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCC1 ZINC001603272534 1096491036 /nfs/dbraw/zinc/49/10/36/1096491036.db2.gz RKBWGRZZBXHXOH-UHFFFAOYSA-N -1 3 331.380 2.798 20 5 EFBDHM CC(C)CC1(CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCC1 ZINC001603272534 1096491039 /nfs/dbraw/zinc/49/10/39/1096491039.db2.gz RKBWGRZZBXHXOH-UHFFFAOYSA-N -1 3 331.380 2.798 20 5 EFBDHM CC(C)(C)N1CC[C@H]1CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001603345285 1096509804 /nfs/dbraw/zinc/50/98/04/1096509804.db2.gz HLHMDRMFCKNMBJ-IYNGYCSASA-N -1 3 333.388 2.977 20 5 EFBDHM C[C@@H](Cc1ccsc1)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001603590326 1096563563 /nfs/dbraw/zinc/56/35/63/1096563563.db2.gz YYOWOKZOBAPZCN-VIFPVBQESA-N -1 3 330.373 2.880 20 5 EFBDHM CC(C)(CCNCc1c(Br)cccc1[N+](=O)[O-])C(=O)[O-] ZINC001603612274 1096566331 /nfs/dbraw/zinc/56/63/31/1096566331.db2.gz LPQKZJNDESAFRG-UHFFFAOYSA-N -1 3 345.193 2.948 20 5 EFBDHM CC1(C)CCC[C@@H](CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])O1 ZINC001603773209 1096622625 /nfs/dbraw/zinc/62/26/25/1096622625.db2.gz CFBZJXRJYUKDSD-NSHDSACASA-N -1 3 332.364 2.535 20 5 EFBDHM CC1(C)CCC[C@@H](CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])O1 ZINC001603773209 1096622628 /nfs/dbraw/zinc/62/26/28/1096622628.db2.gz CFBZJXRJYUKDSD-NSHDSACASA-N -1 3 332.364 2.535 20 5 EFBDHM C[C@]1(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1(Cl)Cl ZINC001603807729 1096634410 /nfs/dbraw/zinc/63/44/10/1096634410.db2.gz SSANONLQNBENLV-LLVKDONJSA-N -1 3 343.174 2.771 20 5 EFBDHM C[C@]1(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1(Cl)Cl ZINC001603807729 1096634414 /nfs/dbraw/zinc/63/44/14/1096634414.db2.gz SSANONLQNBENLV-LLVKDONJSA-N -1 3 343.174 2.771 20 5 EFBDHM C[C@@H]1C[C@H]2CCCC[C@H]2N1c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001603870856 1096650855 /nfs/dbraw/zinc/65/08/55/1096650855.db2.gz HISNWEMUCFYTJP-JTNHKYCSSA-N -1 3 328.376 2.932 20 5 EFBDHM C[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C[C@@H]1C ZINC001603882237 1096655659 /nfs/dbraw/zinc/65/56/59/1096655659.db2.gz QRJMBZLZBSSBKV-UTLUCORTSA-N -1 3 331.380 2.594 20 5 EFBDHM C[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C[C@@H]1C ZINC001603882237 1096655664 /nfs/dbraw/zinc/65/56/64/1096655664.db2.gz QRJMBZLZBSSBKV-UTLUCORTSA-N -1 3 331.380 2.594 20 5 EFBDHM C[C@H]1CCC[C@@H](C(=O)OCc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001603884603 1096657324 /nfs/dbraw/zinc/65/73/24/1096657324.db2.gz QLOLOTDRMJWNII-CMPLNLGQSA-N -1 3 345.359 2.644 20 5 EFBDHM C[C@H]1CCC[C@@H](C(=O)OCc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001603884603 1096657332 /nfs/dbraw/zinc/65/73/32/1096657332.db2.gz QLOLOTDRMJWNII-CMPLNLGQSA-N -1 3 345.359 2.644 20 5 EFBDHM C[C@@H]1CCCC[C@@H]1C(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603890675 1096660189 /nfs/dbraw/zinc/66/01/89/1096660189.db2.gz DGRIIZVXYPKJDK-MFKMUULPSA-N -1 3 345.359 2.644 20 5 EFBDHM C[C@@H]1CCCC[C@@H]1C(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603890675 1096660193 /nfs/dbraw/zinc/66/01/93/1096660193.db2.gz DGRIIZVXYPKJDK-MFKMUULPSA-N -1 3 345.359 2.644 20 5 EFBDHM C[C@@H]1CN(Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c2ccccc21 ZINC001603935900 1096674259 /nfs/dbraw/zinc/67/42/59/1096674259.db2.gz GZIPFALOJTUBNQ-LLVKDONJSA-N -1 3 336.355 2.899 20 5 EFBDHM C[C@@H]1CN(Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c2ccccc21 ZINC001603935900 1096674261 /nfs/dbraw/zinc/67/42/61/1096674261.db2.gz GZIPFALOJTUBNQ-LLVKDONJSA-N -1 3 336.355 2.899 20 5 EFBDHM C[C@@H]1c2ccccc2CCN1c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001603957554 1096682377 /nfs/dbraw/zinc/68/23/77/1096682377.db2.gz WITGGDCDWNSIRW-LLVKDONJSA-N -1 3 336.355 2.899 20 5 EFBDHM CCC1(CC)CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CCS1 ZINC001604083930 1096723923 /nfs/dbraw/zinc/72/39/23/1096723923.db2.gz CPTBFQZORPXTIW-UHFFFAOYSA-N -1 3 348.432 2.887 20 5 EFBDHM CCCN(C[C@@H]1CCCCO1)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001604204860 1096773140 /nfs/dbraw/zinc/77/31/40/1096773140.db2.gz HYLVIKWYAARAOG-ZDUSSCGKSA-N -1 3 346.391 2.560 20 5 EFBDHM C[C@@H](N[C@@H](CC(=O)[O-])C1CC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001604322199 1096809307 /nfs/dbraw/zinc/80/93/07/1096809307.db2.gz JOLXABIVNWHXGQ-RNCFNFMXSA-N -1 3 346.343 2.549 20 5 EFBDHM COC1(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CCCCC1 ZINC001605020547 1097003272 /nfs/dbraw/zinc/00/32/72/1097003272.db2.gz MSEGWSMZASQFHC-UHFFFAOYSA-N -1 3 332.364 2.536 20 5 EFBDHM COC1(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CCCCC1 ZINC001605020547 1097003276 /nfs/dbraw/zinc/00/32/76/1097003276.db2.gz MSEGWSMZASQFHC-UHFFFAOYSA-N -1 3 332.364 2.536 20 5 EFBDHM COCC1CCC(Nc2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001605073002 1097015637 /nfs/dbraw/zinc/01/56/37/1097015637.db2.gz SJFFYKNOXTXTCG-UHFFFAOYSA-N -1 3 346.391 2.700 20 5 EFBDHM COCC1CCC(Nc2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001605073002 1097015643 /nfs/dbraw/zinc/01/56/43/1097015643.db2.gz SJFFYKNOXTXTCG-UHFFFAOYSA-N -1 3 346.391 2.700 20 5 EFBDHM COc1ccc([N+](=O)[O-])cc1CNc1cccc(F)c1-c1nnn[n-]1 ZINC001605307950 1097090854 /nfs/dbraw/zinc/09/08/54/1097090854.db2.gz SBQVWOLLZZSGGO-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM COc1ccc([N+](=O)[O-])cc1CNc1cccc(F)c1-c1nn[n-]n1 ZINC001605307950 1097090859 /nfs/dbraw/zinc/09/08/59/1097090859.db2.gz SBQVWOLLZZSGGO-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM CCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)C1 ZINC001605323916 1097095684 /nfs/dbraw/zinc/09/56/84/1097095684.db2.gz MZAQJQHUGFKWPZ-SECBINFHSA-N -1 3 327.768 2.843 20 5 EFBDHM COc1ccccc1Sc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001605336382 1097100682 /nfs/dbraw/zinc/10/06/82/1097100682.db2.gz NQQTUPALHZNPLC-UHFFFAOYSA-N -1 3 329.341 2.935 20 5 EFBDHM COc1ccccc1Sc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001605336382 1097100685 /nfs/dbraw/zinc/10/06/85/1097100685.db2.gz NQQTUPALHZNPLC-UHFFFAOYSA-N -1 3 329.341 2.935 20 5 EFBDHM CCN1CCCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)[C@@H](C)C1 ZINC001605479158 1097134842 /nfs/dbraw/zinc/13/48/42/1097134842.db2.gz USYJTHRZBJRIJO-JTQLQIEISA-N -1 3 341.795 2.867 20 5 EFBDHM CCOc1cc(CN[C@H](C(=O)[O-])c2ccccc2)ccc1[N+](=O)[O-] ZINC001605671493 1097189254 /nfs/dbraw/zinc/18/92/54/1097189254.db2.gz TVRNACBCVOJGCL-INIZCTEOSA-N -1 3 330.340 2.909 20 5 EFBDHM Cc1cc(N(C)Cc2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])s1 ZINC001605688451 1097195407 /nfs/dbraw/zinc/19/54/07/1097195407.db2.gz RSRLTORDTQKKAF-UHFFFAOYSA-N -1 3 330.373 2.781 20 5 EFBDHM Cc1cc(N(C)Cc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])s1 ZINC001605688451 1097195412 /nfs/dbraw/zinc/19/54/12/1097195412.db2.gz RSRLTORDTQKKAF-UHFFFAOYSA-N -1 3 330.373 2.781 20 5 EFBDHM Cc1cc(N2CCC[C@@H](C(C)C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605695462 1097197121 /nfs/dbraw/zinc/19/71/21/1097197121.db2.gz PXHRBUFMWJWWAS-GFCCVEGCSA-N -1 3 330.392 2.956 20 5 EFBDHM Cc1cc(N2CCC[C@@H](C(C)C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605695462 1097197122 /nfs/dbraw/zinc/19/71/22/1097197122.db2.gz PXHRBUFMWJWWAS-GFCCVEGCSA-N -1 3 330.392 2.956 20 5 EFBDHM Cc1cc(N2Cc3cccc(-c4nnn[n-]4)c3C2)c([N+](=O)[O-])s1 ZINC001605701855 1097199826 /nfs/dbraw/zinc/19/98/26/1097199826.db2.gz PTWJVBXUWGVJNL-UHFFFAOYSA-N -1 3 328.357 2.665 20 5 EFBDHM Cc1cc(N2Cc3cccc(-c4nn[n-]n4)c3C2)c([N+](=O)[O-])s1 ZINC001605701855 1097199827 /nfs/dbraw/zinc/19/98/27/1097199827.db2.gz PTWJVBXUWGVJNL-UHFFFAOYSA-N -1 3 328.357 2.665 20 5 EFBDHM Cc1cc(NC(=O)c2c(C)cccc2[N+](=O)[O-])cc(-c2nnn[n-]2)c1 ZINC001605713620 1097204637 /nfs/dbraw/zinc/20/46/37/1097204637.db2.gz UIUOIEDAYONWRI-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM Cc1cc(NC(=O)c2c(C)cccc2[N+](=O)[O-])cc(-c2nn[n-]n2)c1 ZINC001605713620 1097204642 /nfs/dbraw/zinc/20/46/42/1097204642.db2.gz UIUOIEDAYONWRI-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM Cc1cc(NC(=O)c2cccc(-c3nnn[n-]3)c2C)cc([N+](=O)[O-])c1 ZINC001605716232 1097206106 /nfs/dbraw/zinc/20/61/06/1097206106.db2.gz AXHLEESXXFQSDO-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM Cc1cc(NC(=O)c2cccc(-c3nn[n-]n3)c2C)cc([N+](=O)[O-])c1 ZINC001605716232 1097206112 /nfs/dbraw/zinc/20/61/12/1097206112.db2.gz AXHLEESXXFQSDO-UHFFFAOYSA-N -1 3 338.327 2.644 20 5 EFBDHM Cc1cc(NCCSC(F)(F)F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605736969 1097210370 /nfs/dbraw/zinc/21/03/70/1097210370.db2.gz YLTYVBPLRYYMPC-UHFFFAOYSA-N -1 3 348.310 2.748 20 5 EFBDHM Cc1cc(NCCSC(F)(F)F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605736969 1097210374 /nfs/dbraw/zinc/21/03/74/1097210374.db2.gz YLTYVBPLRYYMPC-UHFFFAOYSA-N -1 3 348.310 2.748 20 5 EFBDHM Cc1cc(OC(=O)c2cccc([N+](=O)[O-])c2C)ccc1-c1nnn[n-]1 ZINC001605745991 1097214097 /nfs/dbraw/zinc/21/40/97/1097214097.db2.gz QZYNAWZDQSGKBN-UHFFFAOYSA-N -1 3 339.311 2.611 20 5 EFBDHM Cc1cc(OC(=O)c2cccc([N+](=O)[O-])c2C)ccc1-c1nn[n-]n1 ZINC001605745991 1097214100 /nfs/dbraw/zinc/21/41/00/1097214100.db2.gz QZYNAWZDQSGKBN-UHFFFAOYSA-N -1 3 339.311 2.611 20 5 EFBDHM Cc1cc(OCc2cc(-c3nnn[n-]3)ccn2)c(Cl)cc1[N+](=O)[O-] ZINC001605747089 1097215451 /nfs/dbraw/zinc/21/54/51/1097215451.db2.gz DCSJOUGIFGVSGL-UHFFFAOYSA-N -1 3 346.734 2.711 20 5 EFBDHM Cc1cc(OCc2cc(-c3nn[n-]n3)ccn2)c(Cl)cc1[N+](=O)[O-] ZINC001605747089 1097215456 /nfs/dbraw/zinc/21/54/56/1097215456.db2.gz DCSJOUGIFGVSGL-UHFFFAOYSA-N -1 3 346.734 2.711 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1-c1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC001605884753 1097264666 /nfs/dbraw/zinc/26/46/66/1097264666.db2.gz ZURVKWPMUVDTJT-UHFFFAOYSA-N -1 3 349.310 2.800 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1-c1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC001605884753 1097264672 /nfs/dbraw/zinc/26/46/72/1097264672.db2.gz ZURVKWPMUVDTJT-UHFFFAOYSA-N -1 3 349.310 2.800 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(NCc2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC001605884362 1097265342 /nfs/dbraw/zinc/26/53/42/1097265342.db2.gz AFSLLKCYHGUVMM-UHFFFAOYSA-N -1 3 345.750 2.744 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(NCc2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC001605884362 1097265347 /nfs/dbraw/zinc/26/53/47/1097265347.db2.gz AFSLLKCYHGUVMM-UHFFFAOYSA-N -1 3 345.750 2.744 20 5 EFBDHM Cc1cccc(Sc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)c1 ZINC001605926424 1097277408 /nfs/dbraw/zinc/27/74/08/1097277408.db2.gz AXFHBSNKDQDRIM-UHFFFAOYSA-N -1 3 328.357 2.817 20 5 EFBDHM Cc1cccc(Sc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)c1 ZINC001605926424 1097277412 /nfs/dbraw/zinc/27/74/12/1097277412.db2.gz AXFHBSNKDQDRIM-UHFFFAOYSA-N -1 3 328.357 2.817 20 5 EFBDHM Cc1cccc(OCCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001605923705 1097278176 /nfs/dbraw/zinc/27/81/76/1097278176.db2.gz TYTZHQKRYMLPTI-UHFFFAOYSA-N -1 3 340.343 2.574 20 5 EFBDHM Cc1cccc(OCCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001605923705 1097278179 /nfs/dbraw/zinc/27/81/79/1097278179.db2.gz TYTZHQKRYMLPTI-UHFFFAOYSA-N -1 3 340.343 2.574 20 5 EFBDHM Cc1ccccc1CSc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001605942520 1097283087 /nfs/dbraw/zinc/28/30/87/1097283087.db2.gz VLHHOWFJFMHJCA-UHFFFAOYSA-N -1 3 342.384 2.958 20 5 EFBDHM Cc1ccccc1CSc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001605942520 1097283092 /nfs/dbraw/zinc/28/30/92/1097283092.db2.gz VLHHOWFJFMHJCA-UHFFFAOYSA-N -1 3 342.384 2.958 20 5 EFBDHM Cc1cnc([C@H](C)CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])s1 ZINC001605977695 1097290790 /nfs/dbraw/zinc/29/07/90/1097290790.db2.gz HLVKPQZOGGUWNQ-MRVPVSSYSA-N -1 3 345.388 2.755 20 5 EFBDHM Cc1cnc([C@H](C)CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])s1 ZINC001605977695 1097290794 /nfs/dbraw/zinc/29/07/94/1097290794.db2.gz HLVKPQZOGGUWNQ-MRVPVSSYSA-N -1 3 345.388 2.755 20 5 EFBDHM Cc1nc(N[C@H](C)c2ccccc2[N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001606077922 1097312426 /nfs/dbraw/zinc/31/24/26/1097312426.db2.gz COVCVBPSQDOSEY-SECBINFHSA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1nc(N[C@H](C)c2ccccc2[N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001606077922 1097312431 /nfs/dbraw/zinc/31/24/31/1097312431.db2.gz COVCVBPSQDOSEY-SECBINFHSA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1ncc([N+](=O)[O-])c(OCc2ccc(F)c(-c3nnn[n-]3)c2)c1C ZINC001606093327 1097317243 /nfs/dbraw/zinc/31/72/43/1097317243.db2.gz XUCLUDWEYUUXCL-UHFFFAOYSA-N -1 3 344.306 2.505 20 5 EFBDHM Cc1ncc([N+](=O)[O-])c(OCc2ccc(F)c(-c3nn[n-]n3)c2)c1C ZINC001606093327 1097317245 /nfs/dbraw/zinc/31/72/45/1097317245.db2.gz XUCLUDWEYUUXCL-UHFFFAOYSA-N -1 3 344.306 2.505 20 5 EFBDHM O=C(/C=C\C1CCCC1)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001606480442 1097405703 /nfs/dbraw/zinc/40/57/03/1097405703.db2.gz NDDPLOOHNWQKIX-HJWRWDBZSA-N -1 3 343.343 2.565 20 5 EFBDHM O=C(/C=C\C1CCCC1)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001606480442 1097405706 /nfs/dbraw/zinc/40/57/06/1097405706.db2.gz NDDPLOOHNWQKIX-HJWRWDBZSA-N -1 3 343.343 2.565 20 5 EFBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)[C@]12C[C@H]1CCC2 ZINC001606897023 1097467605 /nfs/dbraw/zinc/46/76/05/1097467605.db2.gz IYXOUNARYQRMDS-XLKFXECMSA-N -1 3 348.750 2.557 20 5 EFBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)[C@]12C[C@H]1CCC2 ZINC001606897023 1097467608 /nfs/dbraw/zinc/46/76/08/1097467608.db2.gz IYXOUNARYQRMDS-XLKFXECMSA-N -1 3 348.750 2.557 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1Nc1ccc2ncsc2c1 ZINC001607078632 1097506588 /nfs/dbraw/zinc/50/65/88/1097506588.db2.gz JSDGAUAVFUCNET-UHFFFAOYSA-N -1 3 340.328 2.523 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1Nc1ccc2ncsc2c1 ZINC001607078632 1097506592 /nfs/dbraw/zinc/50/65/92/1097506592.db2.gz JSDGAUAVFUCNET-UHFFFAOYSA-N -1 3 340.328 2.523 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NCCc1ccc(F)cc1 ZINC001607077939 1097507044 /nfs/dbraw/zinc/50/70/44/1097507044.db2.gz VRLYTPDZCLPBAA-UHFFFAOYSA-N -1 3 346.297 2.708 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NCCc1ccc(F)cc1 ZINC001607077939 1097507048 /nfs/dbraw/zinc/50/70/48/1097507048.db2.gz VRLYTPDZCLPBAA-UHFFFAOYSA-N -1 3 346.297 2.708 20 5 EFBDHM O=[N+]([O-])c1ccc(Cl)c(C=Cc2cc(-c3nnn[n-]3)ccn2)c1 ZINC001607082537 1097507808 /nfs/dbraw/zinc/50/78/08/1097507808.db2.gz ZNWRWKSZSJEREY-OWOJBTEDSA-N -1 3 328.719 2.994 20 5 EFBDHM O=[N+]([O-])c1ccc(Cl)c(C=Cc2cc(-c3nn[n-]n3)ccn2)c1 ZINC001607082537 1097507812 /nfs/dbraw/zinc/50/78/12/1097507812.db2.gz ZNWRWKSZSJEREY-OWOJBTEDSA-N -1 3 328.719 2.994 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CCCC2(CCCCC2)C1 ZINC001607080202 1097508017 /nfs/dbraw/zinc/50/80/17/1097508017.db2.gz JEIXOVZQSMPBOA-UHFFFAOYSA-N -1 3 343.391 2.721 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CCCC2(CCCCC2)C1 ZINC001607080202 1097508021 /nfs/dbraw/zinc/50/80/21/1097508021.db2.gz JEIXOVZQSMPBOA-UHFFFAOYSA-N -1 3 343.391 2.721 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CC(c2ccccc2F)C1 ZINC001607081510 1097508211 /nfs/dbraw/zinc/50/82/11/1097508211.db2.gz FKXZJTZKIRIRGS-UHFFFAOYSA-N -1 3 340.318 2.518 20 5 EFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CC(c2ccccc2F)C1 ZINC001607081510 1097508217 /nfs/dbraw/zinc/50/82/17/1097508217.db2.gz FKXZJTZKIRIRGS-UHFFFAOYSA-N -1 3 340.318 2.518 20 5 EFBDHM O=[N+]([O-])c1ccc(NCc2ccc3cccnc3c2)c(-c2nnn[n-]2)c1 ZINC001607082116 1097508429 /nfs/dbraw/zinc/50/84/29/1097508429.db2.gz KPSGLWJMBVBFMJ-UHFFFAOYSA-N -1 3 347.338 2.935 20 5 EFBDHM O=[N+]([O-])c1ccc(NCc2ccc3cccnc3c2)c(-c2nn[n-]n2)c1 ZINC001607082116 1097508435 /nfs/dbraw/zinc/50/84/35/1097508435.db2.gz KPSGLWJMBVBFMJ-UHFFFAOYSA-N -1 3 347.338 2.935 20 5 EFBDHM O=[N+]([O-])c1ccc(NC[C@@H]2CCC3(CCCC3)O2)c(-c2nnn[n-]2)c1 ZINC001607082272 1097508468 /nfs/dbraw/zinc/50/84/68/1097508468.db2.gz LXQAMDHWOWSLJK-LBPRGKRZSA-N -1 3 344.375 2.679 20 5 EFBDHM O=[N+]([O-])c1ccc(NC[C@@H]2CCC3(CCCC3)O2)c(-c2nn[n-]n2)c1 ZINC001607082272 1097508472 /nfs/dbraw/zinc/50/84/72/1097508472.db2.gz LXQAMDHWOWSLJK-LBPRGKRZSA-N -1 3 344.375 2.679 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H]1CCOc2ccccc21 ZINC001607080095 1097509015 /nfs/dbraw/zinc/50/90/15/1097509015.db2.gz PRNVGLQDRWJLFQ-LBPRGKRZSA-N -1 3 338.327 2.711 20 5 EFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H]1CCOc2ccccc21 ZINC001607080095 1097509020 /nfs/dbraw/zinc/50/90/20/1097509020.db2.gz PRNVGLQDRWJLFQ-LBPRGKRZSA-N -1 3 338.327 2.711 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1Oc1ccc(-n2cccn2)cc1 ZINC001607084478 1097509563 /nfs/dbraw/zinc/50/95/63/1097509563.db2.gz IJMJDWBTOVXHCA-UHFFFAOYSA-N -1 3 349.310 2.753 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1Oc1ccc(-n2cccn2)cc1 ZINC001607084478 1097509570 /nfs/dbraw/zinc/50/95/70/1097509570.db2.gz IJMJDWBTOVXHCA-UHFFFAOYSA-N -1 3 349.310 2.753 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCCc1cccc2[nH]ccc21 ZINC001607084664 1097510333 /nfs/dbraw/zinc/51/03/33/1097510333.db2.gz RZNQUSXDIJOUMR-UHFFFAOYSA-N -1 3 349.354 2.911 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCCc1cccc2[nH]ccc21 ZINC001607084664 1097510338 /nfs/dbraw/zinc/51/03/38/1097510338.db2.gz RZNQUSXDIJOUMR-UHFFFAOYSA-N -1 3 349.354 2.911 20 5 EFBDHM Cc1cc([N+](=O)[O-])ccc1CN1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC001607709676 1097705175 /nfs/dbraw/zinc/70/51/75/1097705175.db2.gz NUYBQWWGJIPKAE-KRWDZBQOSA-N -1 3 326.352 2.915 20 5 EFBDHM CC(C)(CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1(O)CCCC1 ZINC001609084314 1098137037 /nfs/dbraw/zinc/13/70/37/1098137037.db2.gz UOIXRFVZSOBBJB-UHFFFAOYSA-N -1 3 346.391 2.518 20 5 EFBDHM CC(C)(CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1(O)CCCC1 ZINC001609084314 1098137040 /nfs/dbraw/zinc/13/70/40/1098137040.db2.gz UOIXRFVZSOBBJB-UHFFFAOYSA-N -1 3 346.391 2.518 20 5 EFBDHM CC(C)[C@@H]1N(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC12CCC2 ZINC001609092367 1098139950 /nfs/dbraw/zinc/13/99/50/1098139950.db2.gz HITJFOZDSSFJAG-AWEZNQCLSA-N -1 3 328.376 2.790 20 5 EFBDHM CC(C)C[C@@H](C)OC(=O)Oc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609093314 1098141108 /nfs/dbraw/zinc/14/11/08/1098141108.db2.gz XPCBGIZXBBNSET-SECBINFHSA-N -1 3 335.320 2.725 20 5 EFBDHM CC(C)C[C@@H](C)OC(=O)Oc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609093314 1098141115 /nfs/dbraw/zinc/14/11/15/1098141115.db2.gz XPCBGIZXBBNSET-SECBINFHSA-N -1 3 335.320 2.725 20 5 EFBDHM CC(C)O[C@@H]1C[C@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1(C)C ZINC001609100895 1098144724 /nfs/dbraw/zinc/14/47/24/1098144724.db2.gz LAPGXRUDYGRETI-UONOGXRCSA-N -1 3 346.391 2.779 20 5 EFBDHM CC(C)O[C@@H]1C[C@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1(C)C ZINC001609100895 1098144728 /nfs/dbraw/zinc/14/47/28/1098144728.db2.gz LAPGXRUDYGRETI-UONOGXRCSA-N -1 3 346.391 2.779 20 5 EFBDHM CCN(Cc1occc1C)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609226994 1098213426 /nfs/dbraw/zinc/21/34/26/1098213426.db2.gz YIHOQRGPNOLAGF-UHFFFAOYSA-N -1 3 342.359 2.698 20 5 EFBDHM CCN(Cc1occc1C)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609226994 1098213431 /nfs/dbraw/zinc/21/34/31/1098213431.db2.gz YIHOQRGPNOLAGF-UHFFFAOYSA-N -1 3 342.359 2.698 20 5 EFBDHM CCc1noc(C)c1CNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609256298 1098229226 /nfs/dbraw/zinc/22/92/26/1098229226.db2.gz YFALDNWUCOSTMU-UHFFFAOYSA-N -1 3 343.347 2.554 20 5 EFBDHM CCc1noc(C)c1CNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609256298 1098229233 /nfs/dbraw/zinc/22/92/33/1098229233.db2.gz YFALDNWUCOSTMU-UHFFFAOYSA-N -1 3 343.347 2.554 20 5 EFBDHM CN(Cc1ccccc1F)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609280503 1098237967 /nfs/dbraw/zinc/23/79/67/1098237967.db2.gz HFBMOQVWZMSUKK-UHFFFAOYSA-N -1 3 328.307 2.550 20 5 EFBDHM CN(Cc1ccccc1F)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609280503 1098237972 /nfs/dbraw/zinc/23/79/72/1098237972.db2.gz HFBMOQVWZMSUKK-UHFFFAOYSA-N -1 3 328.307 2.550 20 5 EFBDHM COC1CCC(CCNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC001609313717 1098245540 /nfs/dbraw/zinc/24/55/40/1098245540.db2.gz QPSKBHXBLHFUCJ-UHFFFAOYSA-N -1 3 346.391 2.782 20 5 EFBDHM COc1ccc([N+](=O)[O-])cc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC001609359255 1098265946 /nfs/dbraw/zinc/26/59/46/1098265946.db2.gz FYGZHRJZNJKNPI-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM COc1ccc([N+](=O)[O-])cc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC001609359255 1098265948 /nfs/dbraw/zinc/26/59/48/1098265948.db2.gz FYGZHRJZNJKNPI-UHFFFAOYSA-N -1 3 344.306 2.535 20 5 EFBDHM Cc1c(COC(=O)c2cscc2-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609384208 1098278561 /nfs/dbraw/zinc/27/85/61/1098278561.db2.gz YKEOQJIYPXWLGJ-UHFFFAOYSA-N -1 3 345.340 2.502 20 5 EFBDHM Cc1c(COC(=O)c2cscc2-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609384208 1098278564 /nfs/dbraw/zinc/27/85/64/1098278564.db2.gz YKEOQJIYPXWLGJ-UHFFFAOYSA-N -1 3 345.340 2.502 20 5 EFBDHM Cc1cc(C)c([N+](=O)[O-])c(OCc2ccc(-c3nnn[n-]3)c(C)c2)n1 ZINC001609397482 1098287954 /nfs/dbraw/zinc/28/79/54/1098287954.db2.gz CPNIRCUVXJDOFU-UHFFFAOYSA-N -1 3 340.343 2.674 20 5 EFBDHM Cc1cc(C)c([N+](=O)[O-])c(OCc2ccc(-c3nn[n-]n3)c(C)c2)n1 ZINC001609397482 1098287959 /nfs/dbraw/zinc/28/79/59/1098287959.db2.gz CPNIRCUVXJDOFU-UHFFFAOYSA-N -1 3 340.343 2.674 20 5 EFBDHM Cc1cc(N2CCC[C@H](C3CC3)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609404659 1098295436 /nfs/dbraw/zinc/29/54/36/1098295436.db2.gz HKASQAHIDAQTFU-LBPRGKRZSA-N -1 3 328.376 2.710 20 5 EFBDHM Cc1cc(N2CCC[C@H](C3CC3)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609404659 1098295441 /nfs/dbraw/zinc/29/54/41/1098295441.db2.gz HKASQAHIDAQTFU-LBPRGKRZSA-N -1 3 328.376 2.710 20 5 EFBDHM Cc1nc(CNc2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)sc1C ZINC001609410637 1098299310 /nfs/dbraw/zinc/29/93/10/1098299310.db2.gz PIQDZFZRWFJQGB-UHFFFAOYSA-N -1 3 345.388 2.769 20 5 EFBDHM Cc1nc(CNc2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)sc1C ZINC001609410637 1098299311 /nfs/dbraw/zinc/29/93/11/1098299311.db2.gz PIQDZFZRWFJQGB-UHFFFAOYSA-N -1 3 345.388 2.769 20 5 EFBDHM Cc1ccc([C@@H](C)Nc2ccc(-c3nnn[n-]3)c(C)n2)cc1[N+](=O)[O-] ZINC001609420668 1098306481 /nfs/dbraw/zinc/30/64/81/1098306481.db2.gz RYMRRBRPIIUQGX-SNVBAGLBSA-N -1 3 339.359 2.960 20 5 EFBDHM Cc1ccc([C@@H](C)Nc2ccc(-c3nn[n-]n3)c(C)n2)cc1[N+](=O)[O-] ZINC001609420668 1098306485 /nfs/dbraw/zinc/30/64/85/1098306485.db2.gz RYMRRBRPIIUQGX-SNVBAGLBSA-N -1 3 339.359 2.960 20 5 EFBDHM Cc1cnc(NCc2ccc(-c3nnn[n-]3)c(Cl)c2)c([N+](=O)[O-])c1 ZINC001609440588 1098324758 /nfs/dbraw/zinc/32/47/58/1098324758.db2.gz AEZQJTPFBGNPAG-UHFFFAOYSA-N -1 3 345.750 2.744 20 5 EFBDHM Cc1cnc(NCc2ccc(-c3nn[n-]n3)c(Cl)c2)c([N+](=O)[O-])c1 ZINC001609440588 1098324768 /nfs/dbraw/zinc/32/47/68/1098324768.db2.gz AEZQJTPFBGNPAG-UHFFFAOYSA-N -1 3 345.750 2.744 20 5 EFBDHM O=[N+]([O-])c1cc(F)cc(OCc2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC001609600455 1098394148 /nfs/dbraw/zinc/39/41/48/1098394148.db2.gz KTJGZMOMQLOTOA-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1cc(F)cc(OCc2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC001609600455 1098394152 /nfs/dbraw/zinc/39/41/52/1098394152.db2.gz KTJGZMOMQLOTOA-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1ccc(NCC2(c3ccccc3)CC2)c(-c2nnn[n-]2)c1 ZINC001609602288 1098395431 /nfs/dbraw/zinc/39/54/31/1098395431.db2.gz VSRGVXFYKCBPGC-UHFFFAOYSA-N -1 3 336.355 2.919 20 5 EFBDHM O=[N+]([O-])c1ccc(NCC2(c3ccccc3)CC2)c(-c2nn[n-]n2)c1 ZINC001609602288 1098395437 /nfs/dbraw/zinc/39/54/37/1098395437.db2.gz VSRGVXFYKCBPGC-UHFFFAOYSA-N -1 3 336.355 2.919 20 5 EFBDHM O=[N+]([O-])c1cccc(F)c1OCc1cccc(-c2nnn[n-]2)c1F ZINC001609602767 1098395795 /nfs/dbraw/zinc/39/57/95/1098395795.db2.gz HOIYMFQYVMVUCQ-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1cccc(F)c1OCc1cccc(-c2nn[n-]n2)c1F ZINC001609602767 1098395800 /nfs/dbraw/zinc/39/58/00/1098395800.db2.gz HOIYMFQYVMVUCQ-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1ccc(NCC2(C(F)(F)F)CC2)c(-c2nnn[n-]2)c1 ZINC001609602221 1098396027 /nfs/dbraw/zinc/39/60/27/1098396027.db2.gz RSWKDEOPYNBVOP-UHFFFAOYSA-N -1 3 328.254 2.529 20 5 EFBDHM O=[N+]([O-])c1ccc(NCC2(C(F)(F)F)CC2)c(-c2nn[n-]n2)c1 ZINC001609602221 1098396035 /nfs/dbraw/zinc/39/60/35/1098396035.db2.gz RSWKDEOPYNBVOP-UHFFFAOYSA-N -1 3 328.254 2.529 20 5 EFBDHM O=[N+]([O-])c1ccc(NCCC[C@@H]2CCCCO2)c(-c2nnn[n-]2)c1 ZINC001609602180 1098396086 /nfs/dbraw/zinc/39/60/86/1098396086.db2.gz PMZZLNJBEHMQMY-LBPRGKRZSA-N -1 3 332.364 2.536 20 5 EFBDHM O=[N+]([O-])c1ccc(NCCC[C@@H]2CCCCO2)c(-c2nn[n-]n2)c1 ZINC001609602180 1098396093 /nfs/dbraw/zinc/39/60/93/1098396093.db2.gz PMZZLNJBEHMQMY-LBPRGKRZSA-N -1 3 332.364 2.536 20 5 EFBDHM O=[N+]([O-])c1ccc(NCc2cccc(-c3nnn[n-]3)c2)c2ncccc12 ZINC001609601910 1098396145 /nfs/dbraw/zinc/39/61/45/1098396145.db2.gz HWBXGPWDGNFSRD-UHFFFAOYSA-N -1 3 347.338 2.935 20 5 EFBDHM O=[N+]([O-])c1ccc(NCc2cccc(-c3nn[n-]n3)c2)c2ncccc12 ZINC001609601910 1098396154 /nfs/dbraw/zinc/39/61/54/1098396154.db2.gz HWBXGPWDGNFSRD-UHFFFAOYSA-N -1 3 347.338 2.935 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CCC(C(F)(F)F)CC1 ZINC001609602943 1098396623 /nfs/dbraw/zinc/39/66/23/1098396623.db2.gz QDQHFXZUUCNYNI-UHFFFAOYSA-N -1 3 342.281 2.554 20 5 EFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CCC(C(F)(F)F)CC1 ZINC001609602943 1098396627 /nfs/dbraw/zinc/39/66/27/1098396627.db2.gz QDQHFXZUUCNYNI-UHFFFAOYSA-N -1 3 342.281 2.554 20 5 EFBDHM CC[C@H](C)N[C@@H](CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])c1ccco1 ZINC001609909495 1098490846 /nfs/dbraw/zinc/49/08/46/1098490846.db2.gz BSOOFXMVQPEVGY-JQWIXIFHSA-N -1 3 348.359 2.822 20 5 EFBDHM C=C/C(C)=C/CC(=O)N(C)CCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001112156872 1099945027 /nfs/dbraw/zinc/94/50/27/1099945027.db2.gz ZKUZDEJSVUVIQV-NTUHNPAUSA-N -1 3 348.403 2.503 20 5 EFBDHM CCCCCCC(=O)N(C)CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001105400877 1100998458 /nfs/dbraw/zinc/99/84/58/1100998458.db2.gz REDFDOCHURAQCS-UHFFFAOYSA-N -1 3 338.408 2.560 20 5 EFBDHM CC(C)CCC(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCC1 ZINC001111761540 1102560606 /nfs/dbraw/zinc/56/06/06/1102560606.db2.gz YJWQHUUYUXZKBS-UHFFFAOYSA-N -1 3 336.392 2.582 20 5 EFBDHM O=C(CC1CCC1)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC1 ZINC001104380504 1102640837 /nfs/dbraw/zinc/64/08/37/1102640837.db2.gz SGRQNKNXUGMFKP-UHFFFAOYSA-N -1 3 348.403 2.727 20 5 EFBDHM Cc1ccc([C@@H](C)NC(=O)c2cc3c(cc2[O-])OCO3)cc1[N+](=O)[O-] ZINC000436578652 1107856652 /nfs/dbraw/zinc/85/66/52/1107856652.db2.gz SANZEHWLWGILFF-SNVBAGLBSA-N -1 3 344.323 2.829 20 5 EFBDHM CCCCC(=O)N1CCC(C)(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001112344945 1108679113 /nfs/dbraw/zinc/67/91/13/1108679113.db2.gz XSPYSVWNXTXWRA-UHFFFAOYSA-N -1 3 336.392 2.679 20 5 EFBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)CC1=CCCCC1 ZINC001106705880 1111739010 /nfs/dbraw/zinc/73/90/10/1111739010.db2.gz MQVBSPKERKAGJI-UHFFFAOYSA-N -1 3 348.403 2.846 20 5 EFBDHM CCC(=CC(=O)N(CC)CCNc1cc[n-]c(=O)c1[N+](=O)[O-])CC ZINC001106729557 1111771966 /nfs/dbraw/zinc/77/19/66/1111771966.db2.gz IKEHRKBZXCQFNW-UHFFFAOYSA-N -1 3 336.392 2.702 20 5 EFBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)c1ccc(C)cc1 ZINC001106755515 1111802393 /nfs/dbraw/zinc/80/23/93/1111802393.db2.gz AYINLWWINUTALS-UHFFFAOYSA-N -1 3 344.371 2.578 20 5 EFBDHM CCCCCCC(=O)N(CC)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001106762189 1111806506 /nfs/dbraw/zinc/80/65/06/1111806506.db2.gz QPZUWZINTQSSPQ-UHFFFAOYSA-N -1 3 338.408 2.926 20 5 EFBDHM O=C(NC/C=C/CNc1ccccc1[N+](=O)[O-])c1ccccc1[O-] ZINC001107046940 1120095468 /nfs/dbraw/zinc/09/54/68/1120095468.db2.gz IZQKSGXJELPEQI-AATRIKPKSA-N -1 3 327.340 2.699 20 5 EFBDHM O=C(NC/C=C\CNc1ccc(F)cc1[N+](=O)[O-])c1ccccc1[O-] ZINC001107047178 1120096224 /nfs/dbraw/zinc/09/62/24/1120096224.db2.gz NMYSZQATOPBXDB-ARJAWSKDSA-N -1 3 345.330 2.838 20 5 EFBDHM Cc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1OC(F)F ZINC000193586726 240118563 /nfs/dbraw/zinc/11/85/63/240118563.db2.gz UJKNJAYVHXLNHC-UHFFFAOYSA-N -1 3 339.254 2.858 20 5 EFBDHM O=C([N-]O[C@@H]1CCCCO1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000079865026 217258509 /nfs/dbraw/zinc/25/85/09/217258509.db2.gz DEQDKTYOXAMXID-LLVKDONJSA-N -1 3 334.250 2.802 20 5 EFBDHM O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])NCc1cc(F)ccc1F ZINC000426819344 247302718 /nfs/dbraw/zinc/30/27/18/247302718.db2.gz VMIDBFMEXHXBRG-AWEZNQCLSA-N -1 3 336.294 2.659 20 5 EFBDHM COc1ccc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c([O-])c1 ZINC000442705632 250104884 /nfs/dbraw/zinc/10/48/84/250104884.db2.gz QCIPLMIAKNLWTF-UHFFFAOYSA-N -1 3 341.323 2.902 20 5 EFBDHM O=C(CC1CC(F)(F)C1)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000449835153 251173057 /nfs/dbraw/zinc/17/30/57/251173057.db2.gz ODTGUPJMBSIOTG-UHFFFAOYSA-N -1 3 336.298 2.781 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)c1ccccc1 ZINC000032400702 258058269 /nfs/dbraw/zinc/05/82/69/258058269.db2.gz XQFZXMQBULGBNA-LLVKDONJSA-N -1 3 336.369 2.643 20 5 EFBDHM O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000344434737 142016384 /nfs/dbraw/zinc/01/63/84/142016384.db2.gz DKVKHOGGMWIRLG-ZDUSSCGKSA-N -1 3 341.327 2.903 20 5 EFBDHM COC(=O)c1cc([N-]C(=O)c2c(F)cccc2OC)cc([N+](=O)[O-])c1 ZINC000346238508 142173948 /nfs/dbraw/zinc/17/39/48/142173948.db2.gz NKQJKGRURAUNOH-UHFFFAOYSA-N -1 3 348.286 2.781 20 5 EFBDHM COC(=O)c1cc([N-]C(=O)c2ccc(C(C)=O)s2)cc([N+](=O)[O-])c1 ZINC000346294655 142185349 /nfs/dbraw/zinc/18/53/49/142185349.db2.gz TUOTYHNEVMPYSM-UHFFFAOYSA-N -1 3 348.336 2.898 20 5 EFBDHM COC(=O)c1ccc(C(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)c(F)c1 ZINC000347968886 142301520 /nfs/dbraw/zinc/30/15/20/142301520.db2.gz RLMNNVQZMZMRFR-UHFFFAOYSA-N -1 3 336.250 2.912 20 5 EFBDHM Cc1ccc(C)c(S(=O)(=O)N(C)c2ccc([O-])cc2)c1[N+](=O)[O-] ZINC000194207419 292085914 /nfs/dbraw/zinc/08/59/14/292085914.db2.gz FHEOUNFYZNOGME-UHFFFAOYSA-N -1 3 336.369 2.742 20 5 EFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc3cc[nH]c32)c(F)c1 ZINC000342184214 145076894 /nfs/dbraw/zinc/07/68/94/145076894.db2.gz QZHGFCCFZDOBJX-UHFFFAOYSA-N -1 3 349.343 2.694 20 5 EFBDHM CC(C)Oc1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cn1 ZINC000344010232 145344672 /nfs/dbraw/zinc/34/46/72/145344672.db2.gz CCYGZJHMRVECFI-UHFFFAOYSA-N -1 3 341.327 2.906 20 5 EFBDHM O=c1cc(C=Cc2csc([N+](=O)[O-])c2)nc(-c2ccncc2)[n-]1 ZINC000352007687 146262923 /nfs/dbraw/zinc/26/29/23/146262923.db2.gz MJZPHCRHLGDATN-OWOJBTEDSA-N -1 3 326.337 2.972 20 5 EFBDHM Cc1cc(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)c(C)n1C ZINC000353044204 146384262 /nfs/dbraw/zinc/38/42/62/146384262.db2.gz KEHRLUKWJJLMLU-UHFFFAOYSA-N -1 3 339.355 2.614 20 5 EFBDHM C[C@H](NC(=O)c1c[n-]nc1-c1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000353074979 146390994 /nfs/dbraw/zinc/39/09/94/146390994.db2.gz AUOBBCRMJNFUDT-NSHDSACASA-N -1 3 337.339 2.871 20 5 EFBDHM CCCCN1CCCC[C@@H]1CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356512873 147264164 /nfs/dbraw/zinc/26/41/64/147264164.db2.gz MQQFARCQMMRXFM-CQSZACIVSA-N -1 3 335.404 2.685 20 5 EFBDHM CCOC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)c([O-])c1 ZINC000356797181 147338410 /nfs/dbraw/zinc/33/84/10/147338410.db2.gz KHFUTNFDSGUUTL-UHFFFAOYSA-N -1 3 336.325 2.791 20 5 EFBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)[C@H]1CCC(F)(F)C1 ZINC000359368414 148068170 /nfs/dbraw/zinc/06/81/70/148068170.db2.gz FZFGYBDGURHQKD-JTQLQIEISA-N -1 3 336.298 2.781 20 5 EFBDHM CC[C@@H](C)N[C@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccco1 ZINC000359549066 148118774 /nfs/dbraw/zinc/11/87/74/148118774.db2.gz VRTQUEYSPJXICX-DGCLKSJQSA-N -1 3 347.371 2.753 20 5 EFBDHM CCC(=O)c1ccc(NCc2nnc(C(F)(F)F)[n-]2)c([N+](=O)[O-])c1 ZINC000359637702 148147108 /nfs/dbraw/zinc/14/71/08/148147108.db2.gz ITCIHEZPKLSZAV-UHFFFAOYSA-N -1 3 343.265 2.937 20 5 EFBDHM CCC(=O)c1ccc(NCc2n[n-]c(C(F)(F)F)n2)c([N+](=O)[O-])c1 ZINC000359637702 148147110 /nfs/dbraw/zinc/14/71/10/148147110.db2.gz ITCIHEZPKLSZAV-UHFFFAOYSA-N -1 3 343.265 2.937 20 5 EFBDHM CCC(=O)c1ccc(NCc2nc(C(F)(F)F)n[n-]2)c([N+](=O)[O-])c1 ZINC000359637702 148147111 /nfs/dbraw/zinc/14/71/11/148147111.db2.gz ITCIHEZPKLSZAV-UHFFFAOYSA-N -1 3 343.265 2.937 20 5 EFBDHM Cc1ccc(F)c(S(=O)(=O)[N-]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000360138444 148281355 /nfs/dbraw/zinc/28/13/55/148281355.db2.gz DJXZBFHIVHDZJA-UHFFFAOYSA-N -1 3 338.360 2.829 20 5 EFBDHM CCc1ccc(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c([O-])c1 ZINC000373251368 151141137 /nfs/dbraw/zinc/14/11/37/151141137.db2.gz VYWLQKNBGYHWGG-UHFFFAOYSA-N -1 3 344.371 2.537 20 5 EFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000186334475 265061701 /nfs/dbraw/zinc/06/17/01/265061701.db2.gz TXQKTHKWMDYWCD-NXEZZACHSA-N -1 3 346.380 2.600 20 5 EFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000186334492 265062659 /nfs/dbraw/zinc/06/26/59/265062659.db2.gz TXQKTHKWMDYWCD-VHSXEESVSA-N -1 3 346.380 2.600 20 5 EFBDHM CCCC1(C[N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)CC1 ZINC000187435488 265102188 /nfs/dbraw/zinc/10/21/88/265102188.db2.gz SWOYAQDOQRIHPO-UHFFFAOYSA-N -1 3 346.380 2.601 20 5 EFBDHM COc1c(F)cc(S(=O)(=O)[N-]CC(C)(C)C(C)C)cc1[N+](=O)[O-] ZINC000189021940 265168850 /nfs/dbraw/zinc/16/88/50/265168850.db2.gz RBUBUWAORWOJPF-UHFFFAOYSA-N -1 3 348.396 2.703 20 5 EFBDHM O=C([N-]OC1CCCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000272090384 266148570 /nfs/dbraw/zinc/14/85/70/266148570.db2.gz JECYUVPQCQUICB-UHFFFAOYSA-N -1 3 329.150 2.961 20 5 EFBDHM O=C([N-]OC1CCCC1)c1ccc([N+](=O)[O-])cc1Br ZINC000272108765 266156723 /nfs/dbraw/zinc/15/67/23/266156723.db2.gz MXDKKICWBDPACN-UHFFFAOYSA-N -1 3 329.150 2.961 20 5 EFBDHM CCCc1nnc([N-]C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)s1 ZINC000276766027 267045706 /nfs/dbraw/zinc/04/57/06/267045706.db2.gz GIKUWVQOORYPJQ-UHFFFAOYSA-N -1 3 336.373 2.968 20 5 EFBDHM CCc1ncsc1C(=O)[N-]c1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000277040773 267104536 /nfs/dbraw/zinc/10/45/36/267104536.db2.gz KJBIRJZVSBKGDS-UHFFFAOYSA-N -1 3 349.368 2.961 20 5 EFBDHM Cc1cc(C(=O)[N-]c2cc3c(cc2[N+](=O)[O-])OCCCO3)ns1 ZINC000278138314 267351335 /nfs/dbraw/zinc/35/13/35/267351335.db2.gz AHXZHERKUGAIBI-UHFFFAOYSA-N -1 3 335.341 2.773 20 5 EFBDHM CC1(C)Cc2cc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)ccc2O1 ZINC000278205218 267367826 /nfs/dbraw/zinc/36/78/26/267367826.db2.gz QKGGBGVLAHPKTO-UHFFFAOYSA-N -1 3 329.312 2.661 20 5 EFBDHM CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000277066481 273145436 /nfs/dbraw/zinc/14/54/36/273145436.db2.gz UVOJVBKYVBZTEI-JOCQHMNTSA-N -1 3 336.388 2.974 20 5 EFBDHM Cc1nc(C)c(CCC(=O)Nc2cc([N+](=O)[O-])c(C)cc2F)c(=O)[n-]1 ZINC000282475423 273568135 /nfs/dbraw/zinc/56/81/35/273568135.db2.gz PQRWNPZFSJPGRL-UHFFFAOYSA-N -1 3 348.334 2.726 20 5 EFBDHM O=C(Nc1ccnc2ccncc21)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000427587542 275000351 /nfs/dbraw/zinc/00/03/51/275000351.db2.gz OQXDSSYUOCAACU-UHFFFAOYSA-N -1 3 334.295 2.667 20 5 EFBDHM CC(C)(C)c1nnc([N-]C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)s1 ZINC000108572983 275541385 /nfs/dbraw/zinc/54/13/85/275541385.db2.gz NFOZRTFPVJBFJB-UHFFFAOYSA-N -1 3 346.372 2.872 20 5 EFBDHM Cc1cccc(C(=O)[N-]c2nc3ccc(Cl)cn3n2)c1[N+](=O)[O-] ZINC000157012093 293530206 /nfs/dbraw/zinc/53/02/06/293530206.db2.gz RPJOWXUDMCEZFZ-UHFFFAOYSA-N -1 3 331.719 2.852 20 5 EFBDHM CCCc1nc(C)c(C(=O)[N-]c2cc(C(=O)OC)cc([N+](=O)[O-])c2)o1 ZINC000294890200 295241775 /nfs/dbraw/zinc/24/17/75/295241775.db2.gz DWYZVFWIBLVLNP-UHFFFAOYSA-N -1 3 347.327 2.883 20 5 EFBDHM O=C([N-]c1nc(-c2cccc(F)c2)cs1)c1n[nH]cc1[N+](=O)[O-] ZINC000159376752 310686297 /nfs/dbraw/zinc/68/62/97/310686297.db2.gz CXDDRNROXRNGOI-UHFFFAOYSA-N -1 3 333.304 2.833 20 5 EFBDHM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1F)c1cccc([N+](=O)[O-])c1 ZINC000170665698 310736142 /nfs/dbraw/zinc/73/61/42/310736142.db2.gz TYTJGDQVPNHPDN-VIFPVBQESA-N -1 3 342.323 2.913 20 5 EFBDHM O=C(Nc1cc(F)ccc1[O-])c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000174895078 310768749 /nfs/dbraw/zinc/76/87/49/310768749.db2.gz DZUPHPGEWJBQAG-UHFFFAOYSA-N -1 3 342.286 2.878 20 5 EFBDHM O=[N+]([O-])c1cc2c(c(-c3nc(-c4ccc([O-])cc4)no3)c1)OCCO2 ZINC000350566693 311807146 /nfs/dbraw/zinc/80/71/46/311807146.db2.gz PBXUZLWDPHDYLR-UHFFFAOYSA-N -1 3 341.279 2.789 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCc3c2cccc3O)c([N+](=O)[O-])c1 ZINC000443201940 312650441 /nfs/dbraw/zinc/65/04/41/312650441.db2.gz YRXDJQBUROQGKX-CYBMUJFWSA-N -1 3 348.380 2.575 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-]CCc2ccccc2C)c([N+](=O)[O-])c1 ZINC000507518884 315487263 /nfs/dbraw/zinc/48/72/63/315487263.db2.gz URPJPWLEUSROAC-UHFFFAOYSA-N -1 3 334.397 2.733 20 5 EFBDHM CCCc1coc([N-]C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])n1 ZINC000521640432 316036672 /nfs/dbraw/zinc/03/66/72/316036672.db2.gz NYTSJCQLDQFBAU-UHFFFAOYSA-N -1 3 335.316 2.805 20 5 EFBDHM CCc1cccc(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1[O-] ZINC000527304007 316365629 /nfs/dbraw/zinc/36/56/29/316365629.db2.gz JAXCQTXTETUJRE-UHFFFAOYSA-N -1 3 342.351 2.766 20 5 EFBDHM CS[C@@H](C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(C)(C)C ZINC000544103060 317874474 /nfs/dbraw/zinc/87/44/74/317874474.db2.gz QQGHFOPISWARDC-ZDUSSCGKSA-N -1 3 346.474 2.959 20 5 EFBDHM C[C@@H](C(=O)N=c1cc2ccccn2[n-]1)c1ccc([N+](=O)[O-])cc1F ZINC000553331162 318279597 /nfs/dbraw/zinc/27/95/97/318279597.db2.gz YCJLETDRSAAGBR-SNVBAGLBSA-N -1 3 328.303 2.546 20 5 EFBDHM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N=c1cc2ccccn2[n-]1 ZINC000557527440 318440092 /nfs/dbraw/zinc/44/00/92/318440092.db2.gz QFMXRKDETGLKQT-NSHDSACASA-N -1 3 342.380 2.784 20 5 EFBDHM CSc1ccc(C(=O)N=c2cc3ccccn3[n-]2)cc1[N+](=O)[O-] ZINC000561151946 318589872 /nfs/dbraw/zinc/58/98/72/318589872.db2.gz OXERFFKDRGWQBK-UHFFFAOYSA-N -1 3 328.353 2.639 20 5 EFBDHM Cc1cc(CN(C)C)ccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000566228795 319049827 /nfs/dbraw/zinc/04/98/27/319049827.db2.gz SAEHALZCHGMQRW-UHFFFAOYSA-N -1 3 349.412 2.766 20 5 EFBDHM O=C([N-]c1nc(-c2ccccc2F)cs1)c1c[nH]nc1[N+](=O)[O-] ZINC000567104722 319139029 /nfs/dbraw/zinc/13/90/29/319139029.db2.gz CWJDOZQADBITSU-UHFFFAOYSA-N -1 3 333.304 2.833 20 5 EFBDHM CN(C)[C@@H](CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000567981053 319233253 /nfs/dbraw/zinc/23/32/53/319233253.db2.gz YRGGPWBDSQDGOJ-AWEZNQCLSA-N -1 3 348.334 2.542 20 5 EFBDHM C[C@@H]1[C@H](C(=O)[O-])CCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000568072424 319243999 /nfs/dbraw/zinc/24/39/99/319243999.db2.gz AQQNYSSCKAEKAK-QMTHXVAHSA-N -1 3 331.328 2.545 20 5 EFBDHM CC[C@@H](CSC)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000181616791 323241277 /nfs/dbraw/zinc/24/12/77/323241277.db2.gz PVRRXWLZZXMPJD-NSHDSACASA-N -1 3 332.447 2.632 20 5 EFBDHM C[C@H](C(=O)Nc1nnc(C(F)(F)F)[n-]1)c1ccc([N+](=O)[O-])cc1F ZINC000185429749 323390977 /nfs/dbraw/zinc/39/09/77/323390977.db2.gz NWRXPIYQPASJRY-YFKPBYRVSA-N -1 3 347.228 2.613 20 5 EFBDHM C[C@H](C(=O)Nc1nc(C(F)(F)F)n[n-]1)c1ccc([N+](=O)[O-])cc1F ZINC000185429749 323390980 /nfs/dbraw/zinc/39/09/80/323390980.db2.gz NWRXPIYQPASJRY-YFKPBYRVSA-N -1 3 347.228 2.613 20 5 EFBDHM CC[C@H](C)CO[N-]C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000297939486 323708345 /nfs/dbraw/zinc/70/83/45/323708345.db2.gz WCVCXZICULPIAM-VIFPVBQESA-N -1 3 339.348 2.789 20 5 EFBDHM CC(C)(C)c1cccc(NC(=O)c2ccnc(N)c2[N+](=O)[O-])c1[O-] ZINC000579851631 324045897 /nfs/dbraw/zinc/04/58/97/324045897.db2.gz RJCYXQODGPOYCW-UHFFFAOYSA-N -1 3 330.344 2.658 20 5 EFBDHM O=C([O-])[C@H]1c2ccccc2CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000580574958 324192925 /nfs/dbraw/zinc/19/29/25/324192925.db2.gz RYLPCDWLEWPYLZ-QGZVFWFLSA-N -1 3 342.351 2.658 20 5 EFBDHM CC(C)C[C@@H](CN1CCCC1)Nc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000581669434 324434294 /nfs/dbraw/zinc/43/42/94/324434294.db2.gz SDHCUVCLPQWQTF-LBPRGKRZSA-N -1 3 336.392 2.610 20 5 EFBDHM CCN1CCc2nc([N-]C(=O)c3ccc([N+](=O)[O-])s3)sc2C1 ZINC000021295289 463034437 /nfs/dbraw/zinc/03/44/37/463034437.db2.gz VDFMGFCOFNENMS-UHFFFAOYSA-N -1 3 338.414 2.743 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@@H]1CCc2ccccc21 ZINC000111350000 473209160 /nfs/dbraw/zinc/20/91/60/473209160.db2.gz SXLLYCKPAWLUDE-ZDUSSCGKSA-N -1 3 332.381 2.603 20 5 EFBDHM COc1cc(CNCCSC(F)(F)F)c([N+](=O)[O-])cc1[O-] ZINC000171128282 473294605 /nfs/dbraw/zinc/29/46/05/473294605.db2.gz LDIHCQRVSIRMDS-UHFFFAOYSA-N -1 3 326.296 2.652 20 5 EFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccsc1 ZINC000619752323 479875571 /nfs/dbraw/zinc/87/55/71/479875571.db2.gz SIRMXSFUCPYRJD-MRVPVSSYSA-N -1 3 330.362 2.835 20 5 EFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H]2Cc3ccccc32)c1[N+](=O)[O-] ZINC000616411200 479901636 /nfs/dbraw/zinc/90/16/36/479901636.db2.gz DUVHYAZBUSKQSH-CQSZACIVSA-N -1 3 346.408 2.830 20 5 EFBDHM Cc1ccc([O-])c(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000007802937 471639477 /nfs/dbraw/zinc/63/94/77/471639477.db2.gz FHOZLQRWZSJXML-UHFFFAOYSA-N -1 3 341.367 2.571 20 5 EFBDHM COc1cccc([C@H](C)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000014220583 471862956 /nfs/dbraw/zinc/86/29/56/471862956.db2.gz RILYYGFSZNREDJ-NSHDSACASA-N -1 3 336.369 2.643 20 5 EFBDHM CC(C)(C)c1ncc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cn1 ZINC000068221894 472152503 /nfs/dbraw/zinc/15/25/03/472152503.db2.gz YLPPKQDNVBBJHX-UHFFFAOYSA-N -1 3 340.343 2.811 20 5 EFBDHM C[C@@H](Cc1cccs1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000026880165 472152900 /nfs/dbraw/zinc/15/29/00/472152900.db2.gz JGLQJARHEBCDDL-JTQLQIEISA-N -1 3 326.399 2.566 20 5 EFBDHM CCOc1ncccc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000027584080 472184560 /nfs/dbraw/zinc/18/45/60/472184560.db2.gz RPMGCODDIITLGN-UHFFFAOYSA-N -1 3 327.300 2.517 20 5 EFBDHM COC(=O)c1sc2[n-]c(-c3ccc([N+](=O)[O-])cc3)nc(=O)c2c1C ZINC000055504092 472194999 /nfs/dbraw/zinc/19/49/99/472194999.db2.gz ACOQRERWPWVXLT-UHFFFAOYSA-N -1 3 345.336 2.655 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H](C)c1ccccc1 ZINC000055972901 472266378 /nfs/dbraw/zinc/26/63/78/472266378.db2.gz YQQLKBIURRXOME-CYBMUJFWSA-N -1 3 334.397 2.985 20 5 EFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccnc1 ZINC000055975857 472267999 /nfs/dbraw/zinc/26/79/99/472267999.db2.gz PPLMZCYSXSXSGL-SECBINFHSA-N -1 3 341.776 2.683 20 5 EFBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000056088669 472280038 /nfs/dbraw/zinc/28/00/38/472280038.db2.gz STFYXMQDWFLQJZ-UHFFFAOYSA-N -1 3 344.751 2.866 20 5 EFBDHM O=[N+]([O-])c1ccc(C[N-]S(=O)(=O)c2cccc(Cl)c2F)cc1 ZINC000056124733 472284256 /nfs/dbraw/zinc/28/42/56/472284256.db2.gz BAXQQBBHSZKULB-UHFFFAOYSA-N -1 3 344.751 2.866 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)Cc1cccs1 ZINC000076190391 472295399 /nfs/dbraw/zinc/29/53/99/472295399.db2.gz LHPVEUXLSGEAJM-NSHDSACASA-N -1 3 340.426 2.874 20 5 EFBDHM O=C([N-]c1nc(CN2CCCCC2)cs1)c1ccc([N+](=O)[O-])o1 ZINC000069533764 472366740 /nfs/dbraw/zinc/36/67/40/472366740.db2.gz WNUBQQILSLSPPN-UHFFFAOYSA-N -1 3 336.373 2.883 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H]1CCC[C@H](C)C1 ZINC000057011801 472373677 /nfs/dbraw/zinc/37/36/77/472373677.db2.gz KFCCNJBTQXEPSH-RYUDHWBXSA-N -1 3 342.417 2.708 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCc2cc(F)ccc21 ZINC000057019385 472375286 /nfs/dbraw/zinc/37/52/86/472375286.db2.gz UWNUEYFXFBISCS-CYBMUJFWSA-N -1 3 336.344 2.700 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000032402602 472430060 /nfs/dbraw/zinc/43/00/60/472430060.db2.gz AKQRJPFTDGYASR-GMXVVIOVSA-N -1 3 342.417 2.706 20 5 EFBDHM O=C(Nc1ccc(OC(F)F)c(F)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000128382664 472444297 /nfs/dbraw/zinc/44/42/97/472444297.db2.gz PMOAEFCTVSJQRR-UHFFFAOYSA-N -1 3 343.217 2.688 20 5 EFBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC000032586084 472445312 /nfs/dbraw/zinc/44/53/12/472445312.db2.gz NGICIQONPYMAFJ-UHFFFAOYSA-N -1 3 328.296 2.982 20 5 EFBDHM O=C(Nc1cccc([O-])c1F)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000128787795 472496609 /nfs/dbraw/zinc/49/66/09/472496609.db2.gz CWGDYZDARYFLCS-UHFFFAOYSA-N -1 3 342.286 2.878 20 5 EFBDHM CC(C)Cn1nccc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000103086274 472609789 /nfs/dbraw/zinc/60/97/89/472609789.db2.gz CMSLJNLNMHIDAK-UHFFFAOYSA-N -1 3 328.332 2.576 20 5 EFBDHM Cc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2Br)s1 ZINC000130694086 472624161 /nfs/dbraw/zinc/62/41/61/472624161.db2.gz GZZYWZAZFZCOTP-UHFFFAOYSA-N -1 3 343.162 2.770 20 5 EFBDHM O=C(NCCCNc1ccc(F)cc1[N+](=O)[O-])c1cccc([O-])c1 ZINC000060363031 472646905 /nfs/dbraw/zinc/64/69/05/472646905.db2.gz PDTCGAJMEFRXSM-UHFFFAOYSA-N -1 3 333.319 2.672 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)c2ccccn2)cc1C ZINC000060497181 472661960 /nfs/dbraw/zinc/66/19/60/472661960.db2.gz QXYADCYIIITSDG-LBPRGKRZSA-N -1 3 335.385 2.646 20 5 EFBDHM Cc1cscc1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000157390490 472816013 /nfs/dbraw/zinc/81/60/13/472816013.db2.gz GZXLAFZJMTZPJB-UHFFFAOYSA-N -1 3 326.399 2.949 20 5 EFBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000092066109 472851039 /nfs/dbraw/zinc/85/10/39/472851039.db2.gz KQGQXHVFKDWONE-DYVFJYSZSA-N -1 3 331.416 2.749 20 5 EFBDHM CCCc1[nH]nc(C(=O)[N-]c2cc(F)c(F)c(F)c2)c1[N+](=O)[O-] ZINC000134067294 472870589 /nfs/dbraw/zinc/87/05/89/472870589.db2.gz LUDHJEPGZPJGDU-UHFFFAOYSA-N -1 3 328.250 2.940 20 5 EFBDHM COc1cc(CNc2cccc([S@](C)=O)c2)c([N+](=O)[O-])cc1[O-] ZINC000121880194 472935600 /nfs/dbraw/zinc/93/56/00/472935600.db2.gz XNWAWATXKMNEHU-HSZRJFAPSA-N -1 3 336.369 2.659 20 5 EFBDHM Cc1coc(-c2cccc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)c2)n1 ZINC000163502979 473451319 /nfs/dbraw/zinc/45/13/19/473451319.db2.gz WDTXJFIDJXRYKU-UHFFFAOYSA-N -1 3 340.295 2.911 20 5 EFBDHM CCc1cc(=O)[n-]c(CSCCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000125759042 473454715 /nfs/dbraw/zinc/45/47/15/473454715.db2.gz ATKOUNXYCQSCFG-UHFFFAOYSA-N -1 3 335.385 2.965 20 5 EFBDHM CN(C)CCN(Cc1cccs1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000151943091 473509233 /nfs/dbraw/zinc/50/92/33/473509233.db2.gz TZFUPBQHJWBIRP-UHFFFAOYSA-N -1 3 349.412 2.566 20 5 EFBDHM CCc1[nH]nc(C(=O)[N-]c2c(F)cccc2NC2CC2)c1[N+](=O)[O-] ZINC000192669273 473703640 /nfs/dbraw/zinc/70/36/40/473703640.db2.gz DDHMHPISHKZGIA-UHFFFAOYSA-N -1 3 333.323 2.846 20 5 EFBDHM CSc1cccc(C(=O)[N-]c2nc3ccc(F)cn3n2)c1[N+](=O)[O-] ZINC000186639768 473710477 /nfs/dbraw/zinc/71/04/77/473710477.db2.gz CCLYIPGTCCYENH-UHFFFAOYSA-N -1 3 347.331 2.751 20 5 EFBDHM Cc1ccc2nc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)sc2c1 ZINC000186812037 473760603 /nfs/dbraw/zinc/76/06/03/473760603.db2.gz SVWUPJTUJMTYJJ-UHFFFAOYSA-N -1 3 330.325 2.866 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000246013201 473770601 /nfs/dbraw/zinc/77/06/01/473770601.db2.gz LJYRCMIFETVKDO-NUEKZKHPSA-N -1 3 344.392 2.520 20 5 EFBDHM CC[C@@H]1CCc2nc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)sc2C1 ZINC000186969258 473789933 /nfs/dbraw/zinc/78/99/33/473789933.db2.gz JFKRBQZBDGFOEI-MRVPVSSYSA-N -1 3 348.384 2.919 20 5 EFBDHM CC(C)[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccccc2N1 ZINC000193652803 473799025 /nfs/dbraw/zinc/79/90/25/473799025.db2.gz AMBZBMQUMMRRNA-ZDUSSCGKSA-N -1 3 342.355 2.792 20 5 EFBDHM COc1cc(C(=O)[N-]OCC(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000269621966 473845740 /nfs/dbraw/zinc/84/57/40/473845740.db2.gz BLHKQPPMTMWSMW-UHFFFAOYSA-N -1 3 334.275 2.522 20 5 EFBDHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000173983119 473968885 /nfs/dbraw/zinc/96/88/85/473968885.db2.gz BZFCANZFCYSZJX-UHFFFAOYSA-N -1 3 349.368 2.527 20 5 EFBDHM CCc1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1[N+](=O)[O-] ZINC000174124148 473989930 /nfs/dbraw/zinc/98/99/30/473989930.db2.gz DMCFNNMUBNGOKY-UHFFFAOYSA-N -1 3 329.238 2.546 20 5 EFBDHM CCc1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1[N+](=O)[O-] ZINC000174124148 473989936 /nfs/dbraw/zinc/98/99/36/473989936.db2.gz DMCFNNMUBNGOKY-UHFFFAOYSA-N -1 3 329.238 2.546 20 5 EFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nc3ccc(F)cn3n2)c1 ZINC000174468527 474046380 /nfs/dbraw/zinc/04/63/80/474046380.db2.gz IALKBPSNHQLWBX-UHFFFAOYSA-N -1 3 347.331 2.751 20 5 EFBDHM Cc1ccc([C@@H](C)NC(=O)c2cccc3nn[n-]c32)cc1[N+](=O)[O-] ZINC000188302721 474051491 /nfs/dbraw/zinc/05/14/91/474051491.db2.gz HRQMNOVCYWBZDR-SNVBAGLBSA-N -1 3 325.328 2.666 20 5 EFBDHM Cc1ccc([C@@H](C)NC(=O)c2cccc3[n-]nnc32)cc1[N+](=O)[O-] ZINC000188302721 474051497 /nfs/dbraw/zinc/05/14/97/474051497.db2.gz HRQMNOVCYWBZDR-SNVBAGLBSA-N -1 3 325.328 2.666 20 5 EFBDHM Cc1ccc([C@@H](C)NC(=O)c2cccc3n[n-]nc32)cc1[N+](=O)[O-] ZINC000188302721 474051504 /nfs/dbraw/zinc/05/15/04/474051504.db2.gz HRQMNOVCYWBZDR-SNVBAGLBSA-N -1 3 325.328 2.666 20 5 EFBDHM CCOC[C@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(C)C ZINC000188396558 474082495 /nfs/dbraw/zinc/08/24/95/474082495.db2.gz WDLBVYOUXLEVSD-ZDUSSCGKSA-N -1 3 344.433 2.551 20 5 EFBDHM O=C(/C=C/c1cncc([O-])c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000182141979 474108769 /nfs/dbraw/zinc/10/87/69/474108769.db2.gz ZEZDUQLMCRAGGX-VMPITWQZSA-N -1 3 339.351 2.900 20 5 EFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1noc2ccccc21 ZINC000225390628 474207469 /nfs/dbraw/zinc/20/74/69/474207469.db2.gz ZISLOVCGLUNDTB-UHFFFAOYSA-N -1 3 347.352 2.523 20 5 EFBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1ncn(C2CCCCC2)n1 ZINC000182701369 474236892 /nfs/dbraw/zinc/23/68/92/474236892.db2.gz AYJWRUPTKKZLTI-UHFFFAOYSA-N -1 3 330.348 2.647 20 5 EFBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1OC(F)F)c1ncncc1Cl ZINC000175637783 474271108 /nfs/dbraw/zinc/27/11/08/474271108.db2.gz QJAJNRMTWANNAH-UHFFFAOYSA-N -1 3 344.661 2.892 20 5 EFBDHM COc1cc(CNc2ccc(OC3COC3)cc2)c([N+](=O)[O-])cc1[O-] ZINC000275748898 474303464 /nfs/dbraw/zinc/30/34/64/474303464.db2.gz CUGZCSHBHFEBNP-UHFFFAOYSA-N -1 3 346.339 2.699 20 5 EFBDHM Cc1cccc(CC(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)c1 ZINC000608861580 480100442 /nfs/dbraw/zinc/10/04/42/480100442.db2.gz ZQTFZOSUJJNZFN-UHFFFAOYSA-N -1 3 336.351 2.896 20 5 EFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]Cc2cccc(F)c2)c1[N+](=O)[O-] ZINC000189838464 474491364 /nfs/dbraw/zinc/49/13/64/474491364.db2.gz JUWYMSWEQSECPK-UHFFFAOYSA-N -1 3 338.360 2.829 20 5 EFBDHM CSC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000176719900 474520270 /nfs/dbraw/zinc/52/02/70/474520270.db2.gz CNBOYDPTHKUGTL-QMMMGPOBSA-N -1 3 338.838 2.586 20 5 EFBDHM CC(C)CCn1nccc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000609128603 480115429 /nfs/dbraw/zinc/11/54/29/480115429.db2.gz OUIBEYUMTVOCIV-UHFFFAOYSA-N -1 3 342.359 2.966 20 5 EFBDHM C[C@]1([N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CCO[C@H]1C1CC1 ZINC000273238886 474795694 /nfs/dbraw/zinc/79/56/94/474795694.db2.gz FTDCREXEJNTATI-ZFWWWQNUSA-N -1 3 340.326 2.760 20 5 EFBDHM CC(C)(NC(=O)/C=C\c1cncc([O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC000255872426 474910822 /nfs/dbraw/zinc/91/08/22/474910822.db2.gz HTRYQOHJRDFLJQ-BAQGIRSFSA-N -1 3 327.340 2.760 20 5 EFBDHM COC(=O)c1sccc1[N-]C(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000322278527 474937666 /nfs/dbraw/zinc/93/76/66/474937666.db2.gz OZFGOILPHGCNLF-UHFFFAOYSA-N -1 3 336.325 2.704 20 5 EFBDHM Cc1c(Cl)cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2F)cc1[N+](=O)[O-] ZINC000339119660 474945269 /nfs/dbraw/zinc/94/52/69/474945269.db2.gz NHYOFUJQXFCMLQ-WDEREUQCSA-N -1 3 336.772 2.726 20 5 EFBDHM CCCn1ccnc1CCCN(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339125066 474952526 /nfs/dbraw/zinc/95/25/26/474952526.db2.gz MSWUPUFFGDVXTA-UHFFFAOYSA-N -1 3 332.404 2.972 20 5 EFBDHM CCCC[C@@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000273603317 474986446 /nfs/dbraw/zinc/98/64/46/474986446.db2.gz GLDXWSDDDPJARQ-GFCCVEGCSA-N -1 3 344.314 2.535 20 5 EFBDHM CN1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000339168816 474998738 /nfs/dbraw/zinc/99/87/38/474998738.db2.gz DNMBMTJABIYQLV-KRWDZBQOSA-N -1 3 341.411 2.659 20 5 EFBDHM CCc1[nH]nc(C(=O)[N-]c2nc(-c3ccc[nH]3)cs2)c1[N+](=O)[O-] ZINC000345218924 475002293 /nfs/dbraw/zinc/00/22/93/475002293.db2.gz HVKZHSWQJDENAB-UHFFFAOYSA-N -1 3 332.345 2.584 20 5 EFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CC=CCC1 ZINC000341699859 475232964 /nfs/dbraw/zinc/23/29/64/475232964.db2.gz SBQPMSLBKKXOKH-SNVBAGLBSA-N -1 3 330.793 2.883 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1(C(F)(F)F)CCC1 ZINC000354642259 475309932 /nfs/dbraw/zinc/30/99/32/475309932.db2.gz OGFCWMYEHCKXIN-UHFFFAOYSA-N -1 3 338.307 2.667 20 5 EFBDHM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000354663955 475326070 /nfs/dbraw/zinc/32/60/70/475326070.db2.gz CSOBNZTVJSHGCB-VIFPVBQESA-N -1 3 340.323 2.913 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-]C2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000352487026 475340936 /nfs/dbraw/zinc/34/09/36/475340936.db2.gz YUUJXXBNONXZJB-QWRGUYRKSA-N -1 3 342.417 2.706 20 5 EFBDHM COc1ccc(S(=O)(=O)[N-]C2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000352487025 475341292 /nfs/dbraw/zinc/34/12/92/475341292.db2.gz YUUJXXBNONXZJB-GHMZBOCLSA-N -1 3 342.417 2.706 20 5 EFBDHM CCCC(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000341856213 475359843 /nfs/dbraw/zinc/35/98/43/475359843.db2.gz XXYAPYMALDCBNM-UHFFFAOYSA-N -1 3 344.327 2.686 20 5 EFBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)c2ccncc2F)cc1[N+](=O)[O-] ZINC000337985889 475484260 /nfs/dbraw/zinc/48/42/60/475484260.db2.gz KUYAGSWMRJCXQV-SSDOTTSWSA-N -1 3 345.377 2.538 20 5 EFBDHM Cc1[nH]nc(C(=O)[N-]c2nc3cc(F)c(F)cc3s2)c1[N+](=O)[O-] ZINC000338082238 475571592 /nfs/dbraw/zinc/57/15/92/475571592.db2.gz UPMYIISRYJTPMB-UHFFFAOYSA-N -1 3 339.283 2.767 20 5 EFBDHM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000352738777 475579058 /nfs/dbraw/zinc/57/90/58/475579058.db2.gz OAIAIDSULWWQAA-MNOVXSKESA-N -1 3 330.381 2.839 20 5 EFBDHM C[C@H]1CCC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000352738778 475579909 /nfs/dbraw/zinc/57/99/09/475579909.db2.gz OAIAIDSULWWQAA-QWRGUYRKSA-N -1 3 330.381 2.839 20 5 EFBDHM CCOc1cc([N-]C(=O)c2cnc(C)cn2)c([N+](=O)[O-])cc1OCC ZINC000358336144 475601396 /nfs/dbraw/zinc/60/13/96/475601396.db2.gz CRKFZARNBCWXRU-UHFFFAOYSA-N -1 3 346.343 2.743 20 5 EFBDHM CCc1nc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2OC(F)F)co1 ZINC000346575921 475670235 /nfs/dbraw/zinc/67/02/35/475670235.db2.gz FMSKMPADPXFDNW-UHFFFAOYSA-N -1 3 327.243 2.999 20 5 EFBDHM CCn1cc([C@@H](C)[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000297308477 475700817 /nfs/dbraw/zinc/70/08/17/475700817.db2.gz YHVNQJPIKULMAT-SNVBAGLBSA-N -1 3 338.314 2.780 20 5 EFBDHM CCc1cnccc1[C@@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000358579496 475783240 /nfs/dbraw/zinc/78/32/40/475783240.db2.gz BGRYYYAGXXMRIR-LLVKDONJSA-N -1 3 335.385 2.592 20 5 EFBDHM O=C([N-]c1c(F)cc(F)cc1F)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000353250498 475804033 /nfs/dbraw/zinc/80/40/33/475804033.db2.gz MZBWXHZRFFVVBC-UHFFFAOYSA-N -1 3 340.213 2.993 20 5 EFBDHM COc1cc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc(OC)c1[O-] ZINC000343170364 475829712 /nfs/dbraw/zinc/82/97/12/475829712.db2.gz HUUFBYVAJWSURJ-UHFFFAOYSA-N -1 3 346.339 2.590 20 5 EFBDHM COc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2cccnc12 ZINC000361982166 475913624 /nfs/dbraw/zinc/91/36/24/475913624.db2.gz JAQNIUCLHOMUGK-UHFFFAOYSA-N -1 3 340.295 2.505 20 5 EFBDHM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc3cc(C)ccn32)c1 ZINC000338459700 475924472 /nfs/dbraw/zinc/92/44/72/475924472.db2.gz VENXCOHQJHSDFO-UHFFFAOYSA-N -1 3 341.327 2.597 20 5 EFBDHM CCc1nc(C)c(C(=O)[N-]c2cc(C(=O)OC)cc([N+](=O)[O-])c2C)o1 ZINC000298043277 475964388 /nfs/dbraw/zinc/96/43/88/475964388.db2.gz PHLZUZQFFKVNPM-UHFFFAOYSA-N -1 3 347.327 2.801 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-][C@H](C)CC(F)(F)F)c([N+](=O)[O-])c1 ZINC000362093630 475995294 /nfs/dbraw/zinc/99/52/94/475995294.db2.gz KDNHHTROLQDIOF-MRVPVSSYSA-N -1 3 326.296 2.522 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)CC(F)(F)F)cc1C ZINC000362094916 475996202 /nfs/dbraw/zinc/99/62/02/475996202.db2.gz HNOWQSVRKTVHBS-VIFPVBQESA-N -1 3 340.323 2.831 20 5 EFBDHM Cc1c(CNC(=O)c2c[n-]nc2-c2ccccn2)cccc1[N+](=O)[O-] ZINC000355982868 476074202 /nfs/dbraw/zinc/07/42/02/476074202.db2.gz JMNUKCRZMYRLKK-UHFFFAOYSA-N -1 3 337.339 2.618 20 5 EFBDHM CCCCn1c(=O)[n-]nc1SCc1ccc([N+](=O)[O-])cc1OC ZINC000362339329 476181534 /nfs/dbraw/zinc/18/15/34/476181534.db2.gz KIOVHXXLQCBCSX-UHFFFAOYSA-N -1 3 338.389 2.993 20 5 EFBDHM COc1cc(OCc2nc(-c3ccc([O-])cc3)no2)ccc1[N+](=O)[O-] ZINC000350580089 476253739 /nfs/dbraw/zinc/25/37/39/476253739.db2.gz PCJLJQIENCNQHA-UHFFFAOYSA-N -1 3 343.295 2.938 20 5 EFBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1ccc2cc[nH]c2n1 ZINC000353883786 476312151 /nfs/dbraw/zinc/31/21/51/476312151.db2.gz XHMMLHLTEGVDBZ-UHFFFAOYSA-N -1 3 348.322 2.535 20 5 EFBDHM C[C@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000377391890 476379573 /nfs/dbraw/zinc/37/95/73/476379573.db2.gz USPPJFMOJWSGIB-BDJLRTHQSA-N -1 3 348.380 2.536 20 5 EFBDHM COc1cc(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cc(OC)c1[O-] ZINC000352188981 476536045 /nfs/dbraw/zinc/53/60/45/476536045.db2.gz AHEVAALVJVNELR-UHFFFAOYSA-N -1 3 336.275 2.709 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCc3c2cccc3O)c([N+](=O)[O-])c1 ZINC000443201941 476711408 /nfs/dbraw/zinc/71/14/08/476711408.db2.gz YRXDJQBUROQGKX-ZDUSSCGKSA-N -1 3 348.380 2.575 20 5 EFBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)C1CCCC1 ZINC000451991058 476762431 /nfs/dbraw/zinc/76/24/31/476762431.db2.gz FCBIXPQFKIYJJT-CYBMUJFWSA-N -1 3 342.417 2.851 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)CC(C)(C)C ZINC000416509124 477195369 /nfs/dbraw/zinc/19/53/69/477195369.db2.gz TXIIYUPRUIJZOJ-JTQLQIEISA-N -1 3 330.406 2.706 20 5 EFBDHM CC[C@H](C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000416585011 477229187 /nfs/dbraw/zinc/22/91/87/477229187.db2.gz BFUYOZCKRSWDSJ-VIFPVBQESA-N -1 3 340.323 2.852 20 5 EFBDHM CCOc1ccc([N+](=O)[O-])cc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000417019935 477426294 /nfs/dbraw/zinc/42/62/94/477426294.db2.gz FEVMVMPHXCAMGR-UHFFFAOYSA-N -1 3 330.344 2.979 20 5 EFBDHM O=[N+]([O-])c1ccn(Cc2nc(-c3ccc([O-])c4ccccc34)no2)n1 ZINC000436607554 477532170 /nfs/dbraw/zinc/53/21/70/477532170.db2.gz GDATUVQIKOPMFO-UHFFFAOYSA-N -1 3 337.295 2.748 20 5 EFBDHM COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc(C)c(C)c1[O-] ZINC000436691062 477559941 /nfs/dbraw/zinc/55/99/41/477559941.db2.gz WYJYVUZPMHGNPS-UHFFFAOYSA-N -1 3 330.340 2.856 20 5 EFBDHM CC[C@@H](C)N[C@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccco1 ZINC000436713770 477566837 /nfs/dbraw/zinc/56/68/37/477566837.db2.gz KDOSFFVRPZJZOG-DGCLKSJQSA-N -1 3 347.371 2.753 20 5 EFBDHM CCN(CCN1CCCCCC1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436798691 477592176 /nfs/dbraw/zinc/59/21/76/477592176.db2.gz VENSYOGETAYFPO-UHFFFAOYSA-N -1 3 335.404 2.639 20 5 EFBDHM COC(=O)c1ccc(C)c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1[O-] ZINC000436824960 477602265 /nfs/dbraw/zinc/60/22/65/477602265.db2.gz BHEKYOPNOJAJRT-UHFFFAOYSA-N -1 3 344.323 2.956 20 5 EFBDHM COC(=O)c1ccc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1[O-] ZINC000436824225 477602714 /nfs/dbraw/zinc/60/27/14/477602714.db2.gz AEMARYCWRUCFAY-UHFFFAOYSA-N -1 3 330.296 2.648 20 5 EFBDHM O=c1[n-]nc(C2CCN(c3nccc4ccc([N+](=O)[O-])cc43)CC2)o1 ZINC000413286791 477610868 /nfs/dbraw/zinc/61/08/68/477610868.db2.gz SKQSUKWBUYVREY-UHFFFAOYSA-N -1 3 341.327 2.616 20 5 EFBDHM CN(CCCNC(=O)c1ccc([N+](=O)[O-])cc1[O-])Cc1ccccc1 ZINC000436870572 477620293 /nfs/dbraw/zinc/62/02/93/477620293.db2.gz NVLLBIWIUKSBHX-UHFFFAOYSA-N -1 3 343.383 2.552 20 5 EFBDHM Cc1ccc(NCCCNC(=O)c2ccccc2[O-])c([N+](=O)[O-])c1 ZINC000436886402 477626515 /nfs/dbraw/zinc/62/65/15/477626515.db2.gz KIWQTSRZMCZUQD-UHFFFAOYSA-N -1 3 329.356 2.841 20 5 EFBDHM C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])N(C)Cc1ccccc1 ZINC000436972141 477654510 /nfs/dbraw/zinc/65/45/10/477654510.db2.gz MVKAQKXZFJPJPS-CYBMUJFWSA-N -1 3 343.383 2.551 20 5 EFBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1cnc2ccsc2c1 ZINC000437231018 477685778 /nfs/dbraw/zinc/68/57/78/477685778.db2.gz ZQOGYDKHHGXTQC-UHFFFAOYSA-N -1 3 349.393 2.683 20 5 EFBDHM Cc1c(Cl)cc(S(=O)(=O)[N-][C@@H](C)C(C)(F)F)cc1[N+](=O)[O-] ZINC000451070033 477809895 /nfs/dbraw/zinc/80/98/95/477809895.db2.gz GYGQFUBLSOAMGU-ZETCQYMHSA-N -1 3 342.751 2.879 20 5 EFBDHM CC(C)(C)CCN1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000559689704 477995859 /nfs/dbraw/zinc/99/58/59/477995859.db2.gz JTZPWWICNFPDHT-UHFFFAOYSA-N -1 3 335.404 2.851 20 5 EFBDHM CN(C)[C@@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000516869564 478001309 /nfs/dbraw/zinc/00/13/09/478001309.db2.gz KUYULYLUCHICPH-KRWDZBQOSA-N -1 3 343.383 2.937 20 5 EFBDHM CCc1cccc(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1[O-] ZINC000559840994 478002289 /nfs/dbraw/zinc/00/22/89/478002289.db2.gz SALLFWAWVFIZJZ-UHFFFAOYSA-N -1 3 340.339 2.669 20 5 EFBDHM C[C@H](C(=O)Nc1nnc(-c2ccccn2)[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000518880409 478196204 /nfs/dbraw/zinc/19/62/04/478196204.db2.gz GCBGUDKOYKWORO-JTQLQIEISA-N -1 3 338.327 2.517 20 5 EFBDHM C[C@H](C(=O)Nc1nc(-c2ccccn2)n[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000518880409 478196206 /nfs/dbraw/zinc/19/62/06/478196206.db2.gz GCBGUDKOYKWORO-JTQLQIEISA-N -1 3 338.327 2.517 20 5 EFBDHM C[C@H](C(=O)Nc1n[n-]c(-c2ccccn2)n1)c1cccc([N+](=O)[O-])c1 ZINC000518880409 478196208 /nfs/dbraw/zinc/19/62/08/478196208.db2.gz GCBGUDKOYKWORO-JTQLQIEISA-N -1 3 338.327 2.517 20 5 EFBDHM O=[N+]([O-])c1ccc(Sc2nnc(CO)[n-]2)nc1-c1ccc(F)cc1 ZINC000519798467 478260493 /nfs/dbraw/zinc/26/04/93/478260493.db2.gz JZDINSHSGFEJRC-UHFFFAOYSA-N -1 3 347.331 2.558 20 5 EFBDHM O=[N+]([O-])c1ccc(Sc2n[n-]c(CO)n2)nc1-c1ccc(F)cc1 ZINC000519798467 478260498 /nfs/dbraw/zinc/26/04/98/478260498.db2.gz JZDINSHSGFEJRC-UHFFFAOYSA-N -1 3 347.331 2.558 20 5 EFBDHM COC(=O)c1cc([N-]C(=O)c2c(C)noc2C)c(C)c([N+](=O)[O-])c1 ZINC000489759448 478269183 /nfs/dbraw/zinc/26/91/83/478269183.db2.gz IVOBNZWUJLTPSN-UHFFFAOYSA-N -1 3 333.300 2.547 20 5 EFBDHM CN(C)[C@@H](CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000570098017 478282487 /nfs/dbraw/zinc/28/24/87/478282487.db2.gz MVCHMXPMNKHKNW-AWEZNQCLSA-N -1 3 348.334 2.542 20 5 EFBDHM O=C([N-]c1ncn(Cc2ccccc2)n1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000520228986 478287000 /nfs/dbraw/zinc/28/70/00/478287000.db2.gz ZBRYFWMDALJJHW-UHFFFAOYSA-N -1 3 341.302 2.626 20 5 EFBDHM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000594334791 478333453 /nfs/dbraw/zinc/33/34/53/478333453.db2.gz KJDBVDRBCQOPIN-AWEZNQCLSA-N -1 3 341.367 2.761 20 5 EFBDHM CC[C@H]([N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)C(C)(C)C ZINC000490454345 478341555 /nfs/dbraw/zinc/34/15/55/478341555.db2.gz PULAADYHMXZWAM-LBPRGKRZSA-N -1 3 348.396 2.846 20 5 EFBDHM CCC(CC)(C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])OC ZINC000490502845 478345578 /nfs/dbraw/zinc/34/55/78/478345578.db2.gz JHSWQYCTZMAFSR-UHFFFAOYSA-N -1 3 344.433 2.695 20 5 EFBDHM CCC(CC)(C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])OC ZINC000490526565 478347327 /nfs/dbraw/zinc/34/73/27/478347327.db2.gz IHLMPRBMMRPVFU-UHFFFAOYSA-N -1 3 344.433 2.695 20 5 EFBDHM CCOC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000490710004 478374217 /nfs/dbraw/zinc/37/42/17/478374217.db2.gz HANRISIOXVAFCS-UHFFFAOYSA-N -1 3 346.299 2.516 20 5 EFBDHM CN(CCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])Cc1ccccc1 ZINC000570520064 478379258 /nfs/dbraw/zinc/37/92/58/478379258.db2.gz RHSSRQUAOUXVPJ-UHFFFAOYSA-N -1 3 343.383 2.766 20 5 EFBDHM O=C([O-])[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)C[C@@H]1c1ccccc1 ZINC000563289902 478508403 /nfs/dbraw/zinc/50/84/03/478508403.db2.gz IJGMHRDQTZZKPH-ZIAGYGMSSA-N -1 3 332.381 2.957 20 5 EFBDHM C[C@@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@]1(C)C(=O)[O-] ZINC000582127829 478518389 /nfs/dbraw/zinc/51/83/89/478518389.db2.gz KVLAXFVMYPQQPT-PIGZYNQJSA-N -1 3 345.355 2.792 20 5 EFBDHM CC(C)CCC[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594745763 478527211 /nfs/dbraw/zinc/52/72/11/478527211.db2.gz IKJLENAZTZFNAZ-UHFFFAOYSA-N -1 3 337.401 2.858 20 5 EFBDHM CC(C)C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594785270 478540067 /nfs/dbraw/zinc/54/00/67/478540067.db2.gz CIZKDYMWLONWNR-BXUZGUMPSA-N -1 3 349.412 2.856 20 5 EFBDHM Cc1c(Cl)cc(S(=O)(=O)[N-]CCC(C)(C)F)cc1[N+](=O)[O-] ZINC000594844670 478558903 /nfs/dbraw/zinc/55/89/03/478558903.db2.gz JKOVUTFJZPJOPG-UHFFFAOYSA-N -1 3 338.788 2.973 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCOC(C)(C)C)c1C ZINC000594850680 478560254 /nfs/dbraw/zinc/56/02/54/478560254.db2.gz XIRUGFBUJJGOEU-UHFFFAOYSA-N -1 3 344.433 2.695 20 5 EFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CC[C@@H]1c1ccccc1 ZINC000594871451 478569058 /nfs/dbraw/zinc/56/90/58/478569058.db2.gz LOKCGWDQULNOJI-ZIAGYGMSSA-N -1 3 332.381 2.819 20 5 EFBDHM COc1cc(CNC[C@@H](O)[C@@H](C)c2ccccc2)c([N+](=O)[O-])cc1[O-] ZINC000595001445 478623471 /nfs/dbraw/zinc/62/34/71/478623471.db2.gz UNXAPDLKLNTVCJ-YVEFUNNKSA-N -1 3 346.383 2.563 20 5 EFBDHM CCCCN1CCCC[C@H]1CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000582847322 478702062 /nfs/dbraw/zinc/70/20/62/478702062.db2.gz JOUUWTBRLDNJRF-LBPRGKRZSA-N -1 3 336.392 2.755 20 5 EFBDHM O=C([O-])[C@]12CN(Cc3nc4cc([N+](=O)[O-])ccc4o3)C[C@H]1CCCC2 ZINC000595279038 478710904 /nfs/dbraw/zinc/71/09/04/478710904.db2.gz CIELVVUELFTVQS-PIGZYNQJSA-N -1 3 345.355 2.813 20 5 EFBDHM O=C([O-])[C@]12CN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@H]1CCCC2 ZINC000595279053 478711270 /nfs/dbraw/zinc/71/12/70/478711270.db2.gz DJZGJNMVRXWPJV-PIGZYNQJSA-N -1 3 344.371 2.548 20 5 EFBDHM COc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1 ZINC000595279435 478712046 /nfs/dbraw/zinc/71/20/46/478712046.db2.gz MNWPUNAVFOKHHI-GUYCJALGSA-N -1 3 334.372 2.680 20 5 EFBDHM O=c1[n-]ccc(N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000601206021 478722889 /nfs/dbraw/zinc/72/28/89/478722889.db2.gz UEUPOGKYJJHECC-OCCSQVGLSA-N -1 3 337.282 2.916 20 5 EFBDHM Cc1cnc([N-]c2cnn(CC(=O)OC(C)(C)C)c2)c([N+](=O)[O-])c1 ZINC000591955377 478723906 /nfs/dbraw/zinc/72/39/06/478723906.db2.gz HQAFXECQYUOKIU-UHFFFAOYSA-N -1 3 333.348 2.580 20 5 EFBDHM Cc1c(Cl)cc(S(=O)(=O)[N-]C2(CF)CCC2)cc1[N+](=O)[O-] ZINC000592107178 478778773 /nfs/dbraw/zinc/77/87/73/478778773.db2.gz AQJHJELBGIBXAR-UHFFFAOYSA-N -1 3 336.772 2.727 20 5 EFBDHM CCc1ccc([O-])c(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)c1 ZINC000499683330 478779324 /nfs/dbraw/zinc/77/93/24/478779324.db2.gz ZTASYFYRGRTNSR-UHFFFAOYSA-N -1 3 329.356 2.705 20 5 EFBDHM COC(C)(C)C[C@H](C)[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000601356954 478800030 /nfs/dbraw/zinc/80/00/30/478800030.db2.gz JFGQDTHSIAZLGY-JTQLQIEISA-N -1 3 348.396 2.524 20 5 EFBDHM CN1CCCC(C)(C)[C@H]1CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000583384585 478839170 /nfs/dbraw/zinc/83/91/70/478839170.db2.gz YRNOMNPMTDRLDO-OAHLLOKOSA-N -1 3 335.404 2.754 20 5 EFBDHM O=C([O-])[C@@]1(c2ccccc2)CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000583386733 478840493 /nfs/dbraw/zinc/84/04/93/478840493.db2.gz JGSLYFIIKNVRFY-INIZCTEOSA-N -1 3 332.381 2.885 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000507531844 478926367 /nfs/dbraw/zinc/92/63/67/478926367.db2.gz PGKAIVRTHZPLHQ-OAHLLOKOSA-N -1 3 346.408 2.739 20 5 EFBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000507531842 478927003 /nfs/dbraw/zinc/92/70/03/478927003.db2.gz PGKAIVRTHZPLHQ-HNNXBMFYSA-N -1 3 346.408 2.739 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2Cc3ccccc3C2)cc1C ZINC000545827642 478959637 /nfs/dbraw/zinc/95/96/37/478959637.db2.gz JFWCRUMBKBLMCE-UHFFFAOYSA-N -1 3 346.408 2.657 20 5 EFBDHM COC(=O)c1ccsc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000573046248 478978227 /nfs/dbraw/zinc/97/82/27/478978227.db2.gz WFTGHZMFAZXHSA-UHFFFAOYSA-N -1 3 346.324 2.572 20 5 EFBDHM Cc1cccc(N2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)c1C ZINC000596056450 479111600 /nfs/dbraw/zinc/11/16/00/479111600.db2.gz VUEUWBXECJKQSC-UHFFFAOYSA-N -1 3 328.372 2.639 20 5 EFBDHM COc1cc(C)c(CN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])cc1OC ZINC000596059636 479114104 /nfs/dbraw/zinc/11/41/04/479114104.db2.gz SYGYWGOMLPEBLN-UHFFFAOYSA-N -1 3 333.344 2.657 20 5 EFBDHM Cc1nc2ccccc2n1CCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596059481 479114288 /nfs/dbraw/zinc/11/42/88/479114288.db2.gz JKCTWMVKZNYQCO-UHFFFAOYSA-N -1 3 327.344 2.856 20 5 EFBDHM O=c1[n-]ccc(Nc2cccc(OC[C@H]3CCCO3)c2)c1[N+](=O)[O-] ZINC000596072482 479122386 /nfs/dbraw/zinc/12/23/86/479122386.db2.gz CEWIGMBVXLBFGX-CYBMUJFWSA-N -1 3 331.328 2.997 20 5 EFBDHM C[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])N1CCc2sccc2C1 ZINC000596075187 479123393 /nfs/dbraw/zinc/12/33/93/479123393.db2.gz JOQXUBWBNITYPC-JTQLQIEISA-N -1 3 334.401 2.616 20 5 EFBDHM CCOCCOCc1cccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC000596081374 479126732 /nfs/dbraw/zinc/12/67/32/479126732.db2.gz HAVSKRLHGRWAHF-UHFFFAOYSA-N -1 3 333.344 2.992 20 5 EFBDHM O=c1[n-]ccc(NC2CCN(Cc3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000596087981 479130609 /nfs/dbraw/zinc/13/06/09/479130609.db2.gz IXXPWSTVYSQVOW-UHFFFAOYSA-N -1 3 346.362 2.911 20 5 EFBDHM CC(C)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000596096869 479136503 /nfs/dbraw/zinc/13/65/03/479136503.db2.gz JWLJUDDNJNXCQB-UHFFFAOYSA-N -1 3 331.328 2.814 20 5 EFBDHM COc1ccc(C[C@@H](C)Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc1OC ZINC000596124529 479151144 /nfs/dbraw/zinc/15/11/44/479151144.db2.gz XQJYBNTYCRAAHE-SNVBAGLBSA-N -1 3 333.344 2.756 20 5 EFBDHM O=c1[n-]ccc(N[C@H]2CCCN(c3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC000596131604 479156570 /nfs/dbraw/zinc/15/65/70/479156570.db2.gz AHTZECXJRSYCPJ-LBPRGKRZSA-N -1 3 332.335 2.915 20 5 EFBDHM CC(C)(C)OC(=O)C[C@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596162103 479172835 /nfs/dbraw/zinc/17/28/35/479172835.db2.gz YRIJAUYADSVKHQ-LLVKDONJSA-N -1 3 337.376 2.644 20 5 EFBDHM COCCOc1cc(C)ccc1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596165997 479173729 /nfs/dbraw/zinc/17/37/29/479173729.db2.gz WKGPQQMJWQCESP-UHFFFAOYSA-N -1 3 333.344 2.641 20 5 EFBDHM COc1ccc([C@@H](OC)[C@@H](C)Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000596183529 479185894 /nfs/dbraw/zinc/18/58/94/479185894.db2.gz XVISSGGNTJQKKY-BMIGLBTASA-N -1 3 333.344 2.892 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCC(F)(F)C2)c1C ZINC000610800548 479192734 /nfs/dbraw/zinc/19/27/34/479192734.db2.gz GNNQOUOHKNPJRG-JTQLQIEISA-N -1 3 334.344 2.678 20 5 EFBDHM O=c1[n-]ccc(N2CCC(c3ncc4n3CCCC4)CC2)c1[N+](=O)[O-] ZINC000596214651 479203926 /nfs/dbraw/zinc/20/39/26/479203926.db2.gz JGQKMHRAISRQLD-UHFFFAOYSA-N -1 3 343.387 2.612 20 5 EFBDHM Cc1cc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc(N2CCCC2)n1 ZINC000596238613 479217608 /nfs/dbraw/zinc/21/76/08/479217608.db2.gz PINWSKKJDMKFOJ-UHFFFAOYSA-N -1 3 329.360 2.611 20 5 EFBDHM O=c1[n-]ccc(N2CCC[C@](CO)(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596242204 479219512 /nfs/dbraw/zinc/21/95/12/479219512.db2.gz RCNBHDSXAVAIGJ-SFHVURJKSA-N -1 3 343.383 2.517 20 5 EFBDHM O=[N+]([O-])c1ccc(N2CCN(Cc3cc([O-])ccc3Cl)CC2)cn1 ZINC000599259847 479223782 /nfs/dbraw/zinc/22/37/82/479223782.db2.gz PWLXSFWWYCZXRJ-UHFFFAOYSA-N -1 3 348.790 2.671 20 5 EFBDHM CC(C)(C)O[C@@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])[C@H]1n1cccn1 ZINC000596259407 479228284 /nfs/dbraw/zinc/22/82/84/479228284.db2.gz ZAFIEOXUIDLYCZ-YNEHKIRRSA-N -1 3 347.375 2.501 20 5 EFBDHM COc1ccc(CN[C@H](CC(=O)[O-])c2cccs2)cc1[N+](=O)[O-] ZINC000585731848 479317815 /nfs/dbraw/zinc/31/78/15/479317815.db2.gz RSUJWYULHMPUHQ-LLVKDONJSA-N -1 3 336.369 2.971 20 5 EFBDHM O=[N+]([O-])c1ccc(CSCCc2nn[n-]n2)c(C(F)(F)F)c1 ZINC000603340114 479353489 /nfs/dbraw/zinc/35/34/89/479353489.db2.gz UBTSKGBZXMEFMO-UHFFFAOYSA-N -1 3 333.295 2.603 20 5 EFBDHM O=[N+]([O-])c1ccc(CSCCc2nnn[n-]2)c(C(F)(F)F)c1 ZINC000603340114 479353482 /nfs/dbraw/zinc/35/34/82/479353482.db2.gz UBTSKGBZXMEFMO-UHFFFAOYSA-N -1 3 333.295 2.603 20 5 EFBDHM CS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000593623774 479405948 /nfs/dbraw/zinc/40/59/48/479405948.db2.gz PKPGDARNWQNWSI-DGCLKSJQSA-N -1 3 344.458 2.856 20 5 EFBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CC[C@H](c3cccnc3)C2)c1 ZINC000593732162 479437324 /nfs/dbraw/zinc/43/73/24/479437324.db2.gz JDSOYXCJCBNZLE-AWEZNQCLSA-N -1 3 327.340 2.678 20 5 EFBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[C@@]3(CCCOC3)C2)c1 ZINC000593738186 479440877 /nfs/dbraw/zinc/44/08/77/479440877.db2.gz OQPCOHUAAFNUHK-QGZVFWFLSA-N -1 3 334.372 2.686 20 5 EFBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CC[C@@H](C3CCOCC3)C2)c1 ZINC000593741291 479442233 /nfs/dbraw/zinc/44/22/33/479442233.db2.gz NMBLNDCUCUKKQU-CQSZACIVSA-N -1 3 334.372 2.542 20 5 EFBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[C@H]2[C@H]2CCCOC2)c1 ZINC000593742420 479443230 /nfs/dbraw/zinc/44/32/30/479443230.db2.gz LOPAJGDTFJSCFF-ZFWWWQNUSA-N -1 3 334.372 2.684 20 5 EFBDHM CCc1nn(C)c([N-]c2ccn([C@H](C)c3ccccc3)n2)c1[N+](=O)[O-] ZINC000588823651 479445308 /nfs/dbraw/zinc/44/53/08/479445308.db2.gz RNZBORWISDMJLP-GFCCVEGCSA-N -1 3 340.387 2.862 20 5 EFBDHM Cc1occc1C[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000604306864 479499239 /nfs/dbraw/zinc/49/92/39/479499239.db2.gz LPUDGCFYSKVGJZ-UHFFFAOYSA-N -1 3 344.776 2.937 20 5 EFBDHM CSCC1(CC(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)CC1 ZINC000593894151 479501131 /nfs/dbraw/zinc/50/11/31/479501131.db2.gz VQRBMEJHODTQFF-UHFFFAOYSA-N -1 3 346.412 2.879 20 5 EFBDHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1[nH]nc2cc([O-])ccc21 ZINC000590557560 479659669 /nfs/dbraw/zinc/65/96/69/479659669.db2.gz FJZBEIKWSPTFFH-UHFFFAOYSA-N -1 3 340.339 2.776 20 5 EFBDHM Cc1cc(S(=O)(=O)[N-]Cc2cccs2)c(F)cc1[N+](=O)[O-] ZINC000590589930 479664375 /nfs/dbraw/zinc/66/43/75/479664375.db2.gz OYEGRKDOJJERMA-UHFFFAOYSA-N -1 3 330.362 2.582 20 5 EFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C1(C)CCCCC1 ZINC000619478244 479806107 /nfs/dbraw/zinc/80/61/07/479806107.db2.gz SSIANWVXDYLVKN-UHFFFAOYSA-N -1 3 328.390 2.605 20 5 EFBDHM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000617339720 480171878 /nfs/dbraw/zinc/17/18/78/480171878.db2.gz BANGJOIAHCBTCJ-MRXNPFEDSA-N -1 3 330.340 2.909 20 5 EFBDHM C[C@H](C(=O)Nc1nnc(-c2ccco2)[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000617718547 480333957 /nfs/dbraw/zinc/33/39/57/480333957.db2.gz PRNBLWJBKQEJGM-VIFPVBQESA-N -1 3 327.300 2.715 20 5 EFBDHM C[C@H](C(=O)Nc1nc(-c2ccco2)n[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000617718547 480333963 /nfs/dbraw/zinc/33/39/63/480333963.db2.gz PRNBLWJBKQEJGM-VIFPVBQESA-N -1 3 327.300 2.715 20 5 EFBDHM C[C@H](C(=O)Nc1n[n-]c(-c2ccco2)n1)c1cccc([N+](=O)[O-])c1 ZINC000617718547 480333970 /nfs/dbraw/zinc/33/39/70/480333970.db2.gz PRNBLWJBKQEJGM-VIFPVBQESA-N -1 3 327.300 2.715 20 5 EFBDHM CCOC(=O)c1ncc(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)[n-]1 ZINC000617870332 480399845 /nfs/dbraw/zinc/39/98/45/480399845.db2.gz MPRHSFXWPDBEGZ-UHFFFAOYSA-N -1 3 346.343 2.672 20 5 EFBDHM CCOC(=O)c1nc(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)c[n-]1 ZINC000617870332 480399852 /nfs/dbraw/zinc/39/98/52/480399852.db2.gz MPRHSFXWPDBEGZ-UHFFFAOYSA-N -1 3 346.343 2.672 20 5 EFBDHM CCOc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1OCC ZINC000618343515 480626069 /nfs/dbraw/zinc/62/60/69/480626069.db2.gz DIXWCHCBSPJWMJ-UHFFFAOYSA-N -1 3 347.327 2.745 20 5 EFBDHM CC(C)N(C)c1cccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000188458621 519634475 /nfs/dbraw/zinc/63/44/75/519634475.db2.gz QVEUZMNHODHJME-UHFFFAOYSA-N -1 3 330.344 2.792 20 5 EFBDHM CCC(CC)c1nnc([N-]C(=O)c2cc([N+](=O)[O-])cnc2N)s1 ZINC000180517282 521637124 /nfs/dbraw/zinc/63/71/24/521637124.db2.gz AJRIVXNZRRBLHN-UHFFFAOYSA-N -1 3 336.377 2.579 20 5 EFBDHM COC(C)(C)C[C@H](C)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000173519286 522513738 /nfs/dbraw/zinc/51/37/38/522513738.db2.gz VNLKAQGSTGOQLZ-LBPRGKRZSA-N -1 3 344.433 2.694 20 5 EFBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1c(C)noc1C ZINC000119383504 522905794 /nfs/dbraw/zinc/90/57/94/522905794.db2.gz ALOTVIXESJDOOY-CYBMUJFWSA-N -1 3 339.373 2.629 20 5 EFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CC12CCCCC2 ZINC000179996484 522986334 /nfs/dbraw/zinc/98/63/34/522986334.db2.gz IXNYTFGXUVGKPZ-AWEZNQCLSA-N -1 3 340.401 2.605 20 5 EFBDHM Cc1ccc(-c2nnc(NC(=O)c3cccc([N+](=O)[O-])c3C)[n-]2)o1 ZINC000181880868 525850648 /nfs/dbraw/zinc/85/06/48/525850648.db2.gz ICQDUGYHUKWBNF-UHFFFAOYSA-N -1 3 327.300 2.842 20 5 EFBDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cccc([N+](=O)[O-])c3C)n2)o1 ZINC000181880868 525850660 /nfs/dbraw/zinc/85/06/60/525850660.db2.gz ICQDUGYHUKWBNF-UHFFFAOYSA-N -1 3 327.300 2.842 20 5 EFBDHM Cc1ccc(-c2nc(NC(=O)c3cccc([N+](=O)[O-])c3C)n[n-]2)o1 ZINC000181880868 525850668 /nfs/dbraw/zinc/85/06/68/525850668.db2.gz ICQDUGYHUKWBNF-UHFFFAOYSA-N -1 3 327.300 2.842 20 5 EFBDHM Cc1ccc(-c2nnc(NC(=O)c3cccc(C)c3[N+](=O)[O-])[n-]2)o1 ZINC000181876159 525853981 /nfs/dbraw/zinc/85/39/81/525853981.db2.gz FMEWCHUTEGBGHM-UHFFFAOYSA-N -1 3 327.300 2.842 20 5 EFBDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cccc(C)c3[N+](=O)[O-])n2)o1 ZINC000181876159 525853986 /nfs/dbraw/zinc/85/39/86/525853986.db2.gz FMEWCHUTEGBGHM-UHFFFAOYSA-N -1 3 327.300 2.842 20 5 EFBDHM Cc1ccc(-c2nc(NC(=O)c3cccc(C)c3[N+](=O)[O-])n[n-]2)o1 ZINC000181876159 525853996 /nfs/dbraw/zinc/85/39/96/525853996.db2.gz FMEWCHUTEGBGHM-UHFFFAOYSA-N -1 3 327.300 2.842 20 5 EFBDHM O=[N+]([O-])c1ccccc1OCCSc1n[n-]c(-c2ccccn2)n1 ZINC000117114363 527404620 /nfs/dbraw/zinc/40/46/20/527404620.db2.gz JQUYBLNNPDWEIT-UHFFFAOYSA-N -1 3 343.368 2.946 20 5 EFBDHM CCOc1cc(OCc2cc(=O)[n-]c(C3CC3)n2)ccc1[N+](=O)[O-] ZINC000413001965 535687906 /nfs/dbraw/zinc/68/79/06/535687906.db2.gz DVOLHZVHHNFHJW-UHFFFAOYSA-N -1 3 331.328 2.946 20 5 EFBDHM CCc1ccnc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)c1 ZINC000435648660 536012766 /nfs/dbraw/zinc/01/27/66/536012766.db2.gz YXSQSRYXWKCQNS-UHFFFAOYSA-N -1 3 349.412 2.593 20 5 EFBDHM COC(=O)c1ccc(F)c([N-]C(=O)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000427109099 536719518 /nfs/dbraw/zinc/71/95/18/536719518.db2.gz GLFRNYFEJMLCDZ-UHFFFAOYSA-N -1 3 348.286 2.781 20 5 EFBDHM COC(=O)c1c(F)cc([N-]C(=O)c2ccc([N+](=O)[O-])s2)cc1F ZINC000338104728 545914133 /nfs/dbraw/zinc/91/41/33/545914133.db2.gz PFEAKZSUFRMZGO-UHFFFAOYSA-N -1 3 342.279 2.973 20 5 EFBDHM COc1cc(C(=O)OCCCOc2ccc([N+](=O)[O-])cc2)ccc1[O-] ZINC000757095089 575821053 /nfs/dbraw/zinc/82/10/53/575821053.db2.gz GUZOXQAJLMPVNK-UHFFFAOYSA-N -1 3 347.323 2.935 20 5 EFBDHM Cc1cc([O-])ccc1C(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000758532049 575871725 /nfs/dbraw/zinc/87/17/25/575871725.db2.gz RMSRSSAJOUVOBF-NSHDSACASA-N -1 3 344.323 2.793 20 5 EFBDHM O=C(Oc1ccc2nccnc2c1)c1[n-]nc2ccc([N+](=O)[O-])cc21 ZINC000761023111 576101909 /nfs/dbraw/zinc/10/19/09/576101909.db2.gz QXSYEKLMXVPOKM-UHFFFAOYSA-N -1 3 335.279 2.634 20 5 EFBDHM O=C(Oc1ccc2nccnc2c1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000761023111 576101911 /nfs/dbraw/zinc/10/19/11/576101911.db2.gz QXSYEKLMXVPOKM-UHFFFAOYSA-N -1 3 335.279 2.634 20 5 EFBDHM O=[N+]([O-])c1ccc(OC(F)F)c(NC([O-])=NO[C@H]2CCCCO2)c1 ZINC000763264986 576370201 /nfs/dbraw/zinc/37/02/01/576370201.db2.gz BMYUWSBNDCLZFU-NSHDSACASA-N -1 3 347.274 2.776 20 5 EFBDHM O=C([N-]O[C@H]1CCCCO1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000763264986 576370203 /nfs/dbraw/zinc/37/02/03/576370203.db2.gz BMYUWSBNDCLZFU-NSHDSACASA-N -1 3 347.274 2.776 20 5 EFBDHM Cc1c(COC(=O)c2ccc3c(C=O)n[n-]c3c2)cccc1[N+](=O)[O-] ZINC000766190318 577119257 /nfs/dbraw/zinc/11/92/57/577119257.db2.gz VGAYLOBDZHWSTF-UHFFFAOYSA-N -1 3 339.307 2.949 20 5 EFBDHM Cc1c(COC(=O)c2ccc3c(C=O)[n-]nc3c2)cccc1[N+](=O)[O-] ZINC000766190318 577119259 /nfs/dbraw/zinc/11/92/59/577119259.db2.gz VGAYLOBDZHWSTF-UHFFFAOYSA-N -1 3 339.307 2.949 20 5 EFBDHM COc1cc(COC(=O)c2ccc(F)cc2[O-])c([N+](=O)[O-])cc1F ZINC000766213141 577122130 /nfs/dbraw/zinc/12/21/30/577122130.db2.gz ODMRWZKDZCGPME-UHFFFAOYSA-N -1 3 339.250 2.944 20 5 EFBDHM COc1ccc(CN(C)[C@@H](C(=O)[O-])c2ccccc2)cc1[N+](=O)[O-] ZINC000737995360 577234277 /nfs/dbraw/zinc/23/42/77/577234277.db2.gz QPVLIFFKVRPCEU-MRXNPFEDSA-N -1 3 330.340 2.861 20 5 EFBDHM COc1ccc([C@H](C)[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000768835887 577307677 /nfs/dbraw/zinc/30/76/77/577307677.db2.gz SQBLYNOXVINXDH-VIFPVBQESA-N -1 3 342.398 2.704 20 5 EFBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2C[C@H]2Cc2ccccc2)cs1 ZINC000768842571 577308272 /nfs/dbraw/zinc/30/82/72/577308272.db2.gz NLTWVZFVINTXOL-YPMHNXCESA-N -1 3 338.410 2.566 20 5 EFBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2C[C@H]2C2CCCCC2)cs1 ZINC000768841923 577308304 /nfs/dbraw/zinc/30/83/04/577308304.db2.gz JXQBSYFHLOZOPP-RYUDHWBXSA-N -1 3 330.431 2.903 20 5 EFBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3CCC[C@H]3C2)cs1 ZINC000768844799 577308760 /nfs/dbraw/zinc/30/87/60/577308760.db2.gz VSXYEUGBHWYFAO-GARJFASQSA-N -1 3 330.431 2.903 20 5 EFBDHM CCC1(CC)[C@H]([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)C[C@@H]1OC ZINC000768862429 577311222 /nfs/dbraw/zinc/31/12/22/577311222.db2.gz KPHDZSRYCUSWOW-MNOVXSKESA-N -1 3 348.446 2.528 20 5 EFBDHM CC(C)O[C@@H]1C[C@@H]([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)C1(C)C ZINC000768893284 577314937 /nfs/dbraw/zinc/31/49/37/577314937.db2.gz YVOYVVIFEQOMCC-GHMZBOCLSA-N -1 3 348.446 2.527 20 5 EFBDHM O=C([N-]c1ccc(F)c([N+](=O)[O-])c1)c1coc(C2CCOCC2)n1 ZINC000771722574 581236003 /nfs/dbraw/zinc/23/60/03/581236003.db2.gz IBDQBBHVNODGMO-UHFFFAOYSA-N -1 3 335.291 2.868 20 5 EFBDHM CCc1ccc(OCc2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])c1 ZINC000736689244 599014636 /nfs/dbraw/zinc/01/46/36/599014636.db2.gz FGUAZMSSNVPYGZ-UHFFFAOYSA-N -1 3 325.328 2.916 20 5 EFBDHM CCc1ccc(OCc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000736689244 599014638 /nfs/dbraw/zinc/01/46/38/599014638.db2.gz FGUAZMSSNVPYGZ-UHFFFAOYSA-N -1 3 325.328 2.916 20 5 EFBDHM C[C@@]1(c2ccccc2)C[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820637746 599038766 /nfs/dbraw/zinc/03/87/66/599038766.db2.gz ZLKKXPTZKGWULB-WBVHZDCISA-N -1 3 336.355 2.917 20 5 EFBDHM C[C@@]1(c2ccccc2)C[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820637746 599038769 /nfs/dbraw/zinc/03/87/69/599038769.db2.gz ZLKKXPTZKGWULB-WBVHZDCISA-N -1 3 336.355 2.917 20 5 EFBDHM O=[N+]([O-])c1cnc(N2CCC(C3CCCC3)CC2)c(-c2nnn[n-]2)c1 ZINC000823648628 599082595 /nfs/dbraw/zinc/08/25/95/599082595.db2.gz ZMTKNXGPWHAOBA-UHFFFAOYSA-N -1 3 343.391 2.577 20 5 EFBDHM O=[N+]([O-])c1cnc(N2CCC(C3CCCC3)CC2)c(-c2nn[n-]n2)c1 ZINC000823648628 599082599 /nfs/dbraw/zinc/08/25/99/599082599.db2.gz ZMTKNXGPWHAOBA-UHFFFAOYSA-N -1 3 343.391 2.577 20 5 EFBDHM CCS[C@H]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821446886 599098468 /nfs/dbraw/zinc/09/84/68/599098468.db2.gz FFOLCZJEGUWWRL-JQWIXIFHSA-N -1 3 348.432 2.885 20 5 EFBDHM CCS[C@H]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821446886 599098471 /nfs/dbraw/zinc/09/84/71/599098471.db2.gz FFOLCZJEGUWWRL-JQWIXIFHSA-N -1 3 348.432 2.885 20 5 EFBDHM O=[N+]([O-])c1ccc(NCC2Cc3ccccc3C2)c(-c2nnn[n-]2)c1 ZINC000738368388 599232596 /nfs/dbraw/zinc/23/25/96/599232596.db2.gz CWYXJJNFZIIPHX-UHFFFAOYSA-N -1 3 336.355 2.602 20 5 EFBDHM O=[N+]([O-])c1ccc(NCC2Cc3ccccc3C2)c(-c2nn[n-]n2)c1 ZINC000738368388 599232597 /nfs/dbraw/zinc/23/25/97/599232597.db2.gz CWYXJJNFZIIPHX-UHFFFAOYSA-N -1 3 336.355 2.602 20 5 EFBDHM O=[N+]([O-])c1ccc2nc(NCC3CCC3)cc(-c3nnn[n-]3)c2c1 ZINC000738367243 599273292 /nfs/dbraw/zinc/27/32/92/599273292.db2.gz OIFHVJLDPVPZJO-UHFFFAOYSA-N -1 3 325.332 2.535 20 5 EFBDHM O=[N+]([O-])c1ccc2nc(NCC3CCC3)cc(-c3nn[n-]n3)c2c1 ZINC000738367243 599273294 /nfs/dbraw/zinc/27/32/94/599273294.db2.gz OIFHVJLDPVPZJO-UHFFFAOYSA-N -1 3 325.332 2.535 20 5 EFBDHM CN(CCc1ccccc1F)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736806986 598593263 /nfs/dbraw/zinc/59/32/63/598593263.db2.gz TUENWEDBJFJFFI-UHFFFAOYSA-N -1 3 342.334 2.593 20 5 EFBDHM CN(CCc1ccccc1F)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736806986 598593265 /nfs/dbraw/zinc/59/32/65/598593265.db2.gz TUENWEDBJFJFFI-UHFFFAOYSA-N -1 3 342.334 2.593 20 5 EFBDHM CCc1nc([C@@H](C)Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cs1 ZINC000736697998 598681248 /nfs/dbraw/zinc/68/12/48/598681248.db2.gz FFKCQZOCPMEOKA-MRVPVSSYSA-N -1 3 345.388 2.967 20 5 EFBDHM CCc1nc([C@@H](C)Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cs1 ZINC000736697998 598681250 /nfs/dbraw/zinc/68/12/50/598681250.db2.gz FFKCQZOCPMEOKA-MRVPVSSYSA-N -1 3 345.388 2.967 20 5 EFBDHM O=[N+]([O-])c1ccccc1Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000738369338 598723871 /nfs/dbraw/zinc/72/38/71/598723871.db2.gz LGSKDVQYVQBDTQ-UHFFFAOYSA-N -1 3 347.338 2.687 20 5 EFBDHM O=[N+]([O-])c1ccccc1Cn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000738369338 598723872 /nfs/dbraw/zinc/72/38/72/598723872.db2.gz LGSKDVQYVQBDTQ-UHFFFAOYSA-N -1 3 347.338 2.687 20 5 EFBDHM Cc1c(CNc2ccc(F)c(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC000737212916 599330525 /nfs/dbraw/zinc/33/05/25/599330525.db2.gz UHMHUQGLIVRJNF-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM Cc1c(CNc2ccc(F)c(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC000737212916 599330528 /nfs/dbraw/zinc/33/05/28/599330528.db2.gz UHMHUQGLIVRJNF-UHFFFAOYSA-N -1 3 328.307 2.835 20 5 EFBDHM O=[N+]([O-])c1cnc(Sc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000738373432 599417640 /nfs/dbraw/zinc/41/76/40/599417640.db2.gz CRHLTIUBSAVFNF-UHFFFAOYSA-N -1 3 334.748 2.975 20 5 EFBDHM O=[N+]([O-])c1cnc(Sc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000738373432 599417642 /nfs/dbraw/zinc/41/76/42/599417642.db2.gz CRHLTIUBSAVFNF-UHFFFAOYSA-N -1 3 334.748 2.975 20 5 EFBDHM C[C@H]1c2ccsc2CCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820825761 599433551 /nfs/dbraw/zinc/43/35/51/599433551.db2.gz CVZAASNNRGIEFX-VIFPVBQESA-N -1 3 342.384 2.960 20 5 EFBDHM C[C@H]1c2ccsc2CCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820825761 599433552 /nfs/dbraw/zinc/43/35/52/599433552.db2.gz CVZAASNNRGIEFX-VIFPVBQESA-N -1 3 342.384 2.960 20 5 EFBDHM CC[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1nccs1 ZINC000736371622 599530635 /nfs/dbraw/zinc/53/06/35/599530635.db2.gz XRGSEYOJFSVRQQ-VIFPVBQESA-N -1 3 331.361 2.795 20 5 EFBDHM CC[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1nccs1 ZINC000736371622 599530637 /nfs/dbraw/zinc/53/06/37/599530637.db2.gz XRGSEYOJFSVRQQ-VIFPVBQESA-N -1 3 331.361 2.795 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1OC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826293556 607400816 /nfs/dbraw/zinc/40/08/16/607400816.db2.gz TXCVFWLQNOPPAD-UHFFFAOYSA-N -1 3 339.311 2.611 20 5 EFBDHM Cc1ccc([N+](=O)[O-])cc1OC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826293556 607400818 /nfs/dbraw/zinc/40/08/18/607400818.db2.gz TXCVFWLQNOPPAD-UHFFFAOYSA-N -1 3 339.311 2.611 20 5 EFBDHM O=C([O-])CCN(Cc1cc([N+](=O)[O-])ccc1Cl)C1CCOCC1 ZINC000833233413 600858162 /nfs/dbraw/zinc/85/81/62/600858162.db2.gz YJYHMVLFJNNRFX-UHFFFAOYSA-N -1 3 342.779 2.704 20 5 EFBDHM CCC(CC)(CC(=O)[O-])NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000828803849 601634087 /nfs/dbraw/zinc/63/40/87/601634087.db2.gz CAHMFBGWSIDNGO-UHFFFAOYSA-N -1 3 348.359 2.768 20 5 EFBDHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000833419475 604866477 /nfs/dbraw/zinc/86/64/77/604866477.db2.gz LFOIWFUCGOSICS-CYBMUJFWSA-N -1 3 346.387 2.725 20 5 EFBDHM C[C@]1(NCc2nc3cc([N+](=O)[O-])ccc3o2)CCCC[C@@H]1C(=O)[O-] ZINC000833569839 605067310 /nfs/dbraw/zinc/06/73/10/605067310.db2.gz PNGNORFYOKAAJA-BZNIZROVSA-N -1 3 333.344 2.859 20 5 EFBDHM CCC[C@H]1C[C@H]1Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821040356 606419758 /nfs/dbraw/zinc/41/97/58/606419758.db2.gz KQGSYFVQHHSIPN-LKFCYVNXSA-N -1 3 339.359 2.924 20 5 EFBDHM CCC[C@H]1C[C@H]1Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821040356 606419759 /nfs/dbraw/zinc/41/97/59/606419759.db2.gz KQGSYFVQHHSIPN-LKFCYVNXSA-N -1 3 339.359 2.924 20 5 EFBDHM CC[C@H](Nc1ncccc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000820926116 606479201 /nfs/dbraw/zinc/47/92/01/606479201.db2.gz OUBSQLABXPGDIR-ZDUSSCGKSA-N -1 3 325.332 2.733 20 5 EFBDHM CC[C@H](Nc1ncccc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC000820926116 606479203 /nfs/dbraw/zinc/47/92/03/606479203.db2.gz OUBSQLABXPGDIR-ZDUSSCGKSA-N -1 3 325.332 2.733 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1sccc1-c1nnn[n-]1 ZINC000822271368 606660867 /nfs/dbraw/zinc/66/08/67/606660867.db2.gz YHNHOQUQOBHSLH-UHFFFAOYSA-N -1 3 344.356 2.706 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1sccc1-c1nn[n-]n1 ZINC000822271368 606660868 /nfs/dbraw/zinc/66/08/68/606660868.db2.gz YHNHOQUQOBHSLH-UHFFFAOYSA-N -1 3 344.356 2.706 20 5 EFBDHM Cc1nc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000822453260 606714379 /nfs/dbraw/zinc/71/43/79/606714379.db2.gz GLRKVBONGXLKFZ-SECBINFHSA-N -1 3 325.332 2.651 20 5 EFBDHM Cc1nc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000822453260 606714381 /nfs/dbraw/zinc/71/43/81/606714381.db2.gz GLRKVBONGXLKFZ-SECBINFHSA-N -1 3 325.332 2.651 20 5 EFBDHM O=[N+]([O-])c1ccc(OCc2ccc(F)c(-c3nnn[n-]3)c2)cc1F ZINC000823646073 607009028 /nfs/dbraw/zinc/00/90/28/607009028.db2.gz ZMFMRWBDANQAFE-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1ccc(OCc2ccc(F)c(-c3nn[n-]n3)c2)cc1F ZINC000823646073 607009030 /nfs/dbraw/zinc/00/90/30/607009030.db2.gz ZMFMRWBDANQAFE-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(Sc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000822270843 607026337 /nfs/dbraw/zinc/02/63/37/607026337.db2.gz ADRWGTHZXPPDGE-UHFFFAOYSA-N -1 3 332.320 2.769 20 5 EFBDHM Cc1ccc([N+](=O)[O-])c(Sc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000822270843 607026339 /nfs/dbraw/zinc/02/63/39/607026339.db2.gz ADRWGTHZXPPDGE-UHFFFAOYSA-N -1 3 332.320 2.769 20 5 EFBDHM CN(Cc1cccc(F)c1)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000825980908 607838701 /nfs/dbraw/zinc/83/87/01/607838701.db2.gz LKWBTHOHWSMYBV-UHFFFAOYSA-N -1 3 328.307 2.550 20 5 EFBDHM COc1ccc(-c2nnn[n-]2)cc1COc1cccc(C)c1[N+](=O)[O-] ZINC000826184932 607863070 /nfs/dbraw/zinc/86/30/70/607863070.db2.gz QVGRVRUOGUOEGK-UHFFFAOYSA-N -1 3 341.327 2.671 20 5 EFBDHM COc1ccc(-c2nn[n-]n2)cc1COc1cccc(C)c1[N+](=O)[O-] ZINC000826184932 607863071 /nfs/dbraw/zinc/86/30/71/607863071.db2.gz QVGRVRUOGUOEGK-UHFFFAOYSA-N -1 3 341.327 2.671 20 5 EFBDHM C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC12CCC2 ZINC000824961525 608195738 /nfs/dbraw/zinc/19/57/38/608195738.db2.gz DBRRPFZGWRTFKJ-LLVKDONJSA-N -1 3 328.376 2.791 20 5 EFBDHM C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC12CCC2 ZINC000824961525 608195740 /nfs/dbraw/zinc/19/57/40/608195740.db2.gz DBRRPFZGWRTFKJ-LLVKDONJSA-N -1 3 328.376 2.791 20 5 EFBDHM O=[N+]([O-])c1ccc(OCc2cccc(-c3nnn[n-]3)c2F)cc1F ZINC000826498598 608398525 /nfs/dbraw/zinc/39/85/25/608398525.db2.gz BYMXNICCWZKFIC-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM O=[N+]([O-])c1ccc(OCc2cccc(-c3nn[n-]n3)c2F)cc1F ZINC000826498598 608398527 /nfs/dbraw/zinc/39/85/27/608398527.db2.gz BYMXNICCWZKFIC-UHFFFAOYSA-N -1 3 333.254 2.632 20 5 EFBDHM Cc1cc([N+](=O)[O-])ccc1OCc1cccc(-c2nnn[n-]2)c1F ZINC000826272675 608399979 /nfs/dbraw/zinc/39/99/79/608399979.db2.gz WIMZWELUFFKQBK-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1cc([N+](=O)[O-])ccc1OCc1cccc(-c2nn[n-]n2)c1F ZINC000826272675 608399981 /nfs/dbraw/zinc/39/99/81/608399981.db2.gz WIMZWELUFFKQBK-UHFFFAOYSA-N -1 3 329.291 2.801 20 5 EFBDHM Cc1nnc(SCc2csc([N+](=O)[O-])c2)c(-c2nnn[n-]2)c1C ZINC000826337618 609306568 /nfs/dbraw/zinc/30/65/68/609306568.db2.gz UTRHDIUCFVIGDZ-UHFFFAOYSA-N -1 3 349.401 2.536 20 5 EFBDHM Cc1nnc(SCc2csc([N+](=O)[O-])c2)c(-c2nn[n-]n2)c1C ZINC000826337618 609306569 /nfs/dbraw/zinc/30/65/69/609306569.db2.gz UTRHDIUCFVIGDZ-UHFFFAOYSA-N -1 3 349.401 2.536 20 5 EFBDHM CSCCCCCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826228046 609588239 /nfs/dbraw/zinc/58/82/39/609588239.db2.gz CLHNERGXQUIYRL-UHFFFAOYSA-N -1 3 337.409 2.505 20 5 EFBDHM CSCCCCCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826228046 609588241 /nfs/dbraw/zinc/58/82/41/609588241.db2.gz CLHNERGXQUIYRL-UHFFFAOYSA-N -1 3 337.409 2.505 20 5 EFBDHM Cc1ccccc1C(=O)N(C)CCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001109358216 1274188951 /nfs/dbraw/zinc/18/89/51/1274188951.db2.gz YSONNDXRXCMOGL-UHFFFAOYSA-N -1 3 344.371 2.578 20 5 EFBDHM CN(CCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C1CC2(CCC2)C1 ZINC001109588136 1274451419 /nfs/dbraw/zinc/45/14/19/1274451419.db2.gz QEBDCJGYBMJMDB-UHFFFAOYSA-N -1 3 348.403 2.536 20 5 EFBDHM CCCC(C)(C)C(=O)N(C)CCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001109612962 1274468433 /nfs/dbraw/zinc/46/84/33/1274468433.db2.gz ATKOPMYNFYULIA-UHFFFAOYSA-N -1 3 338.408 2.782 20 5 EFBDHM O=C(COC(=O)c1cc2occc2[n-]1)Nc1cc([N+](=O)[O-])ccc1F ZINC000786030661 1275279458 /nfs/dbraw/zinc/27/94/58/1275279458.db2.gz VFIYUODTMJUODP-UHFFFAOYSA-N -1 3 347.258 2.604 20 5 EFBDHM C[C@H](OC(=O)c1cc2occc2[n-]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000786030014 1275279986 /nfs/dbraw/zinc/27/99/86/1275279986.db2.gz LGMORSWHTRIARR-VIFPVBQESA-N -1 3 343.295 2.853 20 5 EFBDHM COc1cc(CNCc2cccc3c2OCC3)c([N+](=O)[O-])cc1[O-] ZINC000922945324 1276383720 /nfs/dbraw/zinc/38/37/20/1276383720.db2.gz WVOFCDFFEACARR-UHFFFAOYSA-N -1 3 330.340 2.534 20 5 EFBDHM Cc1ccc(CC(=O)[N-]OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000789591874 1276871200 /nfs/dbraw/zinc/87/12/00/1276871200.db2.gz QPFWEXCWWQLDPZ-UHFFFAOYSA-N -1 3 345.311 2.602 20 5 EFBDHM CCOc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000846289956 1280098926 /nfs/dbraw/zinc/09/89/26/1280098926.db2.gz COOQSHXDXPBUJI-LSDHHAIUSA-N -1 3 334.372 2.536 20 5 EFBDHM CC(C)(C)/C=C/C(=O)NC[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001091324514 1280378652 /nfs/dbraw/zinc/37/86/52/1280378652.db2.gz XXCURGQCHRDRNZ-FVSXHXCTSA-N -1 3 348.403 2.604 20 5 EFBDHM CC1(C(=O)NCC2(Nc3cc[n-]c(=O)c3[N+](=O)[O-])CCCCC2)CC1 ZINC001093411749 1283903381 /nfs/dbraw/zinc/90/33/81/1283903381.db2.gz HVYHUYOFVSURGS-UHFFFAOYSA-N -1 3 348.403 2.727 20 5 EFBDHM O=c1[n-]nc(C2CCN(c3nc4ccc([N+](=O)[O-])cc4s3)CC2)o1 ZINC000811843662 1284711321 /nfs/dbraw/zinc/71/13/21/1284711321.db2.gz XKARKAHMOJWBBS-UHFFFAOYSA-N -1 3 347.356 2.677 20 5 EFBDHM O=C(NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CCCCCC1 ZINC001094327406 1284935207 /nfs/dbraw/zinc/93/52/07/1284935207.db2.gz VEWLQJNCRSJSJV-UHFFFAOYSA-N -1 3 336.392 2.584 20 5 EFBDHM CC1(CC(=O)NCCCNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC1 ZINC001094390624 1285011717 /nfs/dbraw/zinc/01/17/17/1285011717.db2.gz FREPSKNVPZOYMK-UHFFFAOYSA-N -1 3 336.392 2.584 20 5 EFBDHM COC(=O)c1cc(C(=O)OCc2ccc([N+](=O)[O-])cc2Cl)c[n-]1 ZINC000814532063 1286722856 /nfs/dbraw/zinc/72/28/56/1286722856.db2.gz MIUDQUOKLFYGDP-UHFFFAOYSA-N -1 3 338.703 2.720 20 5 EFBDHM CC/C(C)=C/C(=O)N1CCC(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001095260865 1286805717 /nfs/dbraw/zinc/80/57/17/1286805717.db2.gz SWDGGTDLTCWUHF-ZRDIBKRKSA-N -1 3 348.403 2.702 20 5 EFBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Br)[N-]OCCC1CC1 ZINC000817383003 1288571586 /nfs/dbraw/zinc/57/15/86/1288571586.db2.gz BGVODYXIXCOFJJ-UHFFFAOYSA-N -1 3 343.177 2.748 20 5 EFBDHM Cc1c([N+](=O)[O-])cc(C(=O)[N-]c2nnc(C3CC3)s2)cc1[N+](=O)[O-] ZINC000021292365 1290692115 /nfs/dbraw/zinc/69/21/15/1290692115.db2.gz MSBFYZUJPSJQTE-UHFFFAOYSA-N -1 3 349.328 2.793 20 5 EFBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nc(-c2cc(F)cc(F)c2F)no1 ZINC001212935905 1290902561 /nfs/dbraw/zinc/90/25/61/1290902561.db2.gz UIDBXYDZSSJABV-UHFFFAOYSA-N -1 3 338.201 2.830 20 5 EFBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nc(-c2ccc3ncccc3c2)no1 ZINC001212935819 1290902826 /nfs/dbraw/zinc/90/28/26/1290902826.db2.gz OMPDWUIWQVEIFJ-UHFFFAOYSA-N -1 3 335.279 2.961 20 5 EFBDHM CC(=O)c1ccc(F)c(-c2noc(-c3cc([N+](=O)[O-])c[n-]c3=O)n2)c1 ZINC001212937176 1290904321 /nfs/dbraw/zinc/90/43/21/1290904321.db2.gz RPLTWBPOZDKQOQ-UHFFFAOYSA-N -1 3 344.258 2.754 20 5 EFBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nc(-c2ncccc2C2CC2)no1 ZINC001212937014 1290904862 /nfs/dbraw/zinc/90/48/62/1290904862.db2.gz JNVLYWALXREUBH-UHFFFAOYSA-N -1 3 325.284 2.685 20 5 EFBDHM COc1cccc(-c2noc(-c3cc([N+](=O)[O-])c[n-]c3=O)n2)c1F ZINC001212937137 1290905038 /nfs/dbraw/zinc/90/50/38/1290905038.db2.gz PSFVYCUNQKXTMT-UHFFFAOYSA-N -1 3 332.247 2.560 20 5 EFBDHM CC(C)(C)/C=C\C(=O)N[C@H]1C[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001114744888 1291682485 /nfs/dbraw/zinc/68/24/85/1291682485.db2.gz BUAIQZUSJKCZNR-HYQMVYQGSA-N -1 3 348.403 2.604 20 5 EFBDHM CC(=O)N1CCC(Oc2nc3cc(Cl)c([N+](=O)[O-])cc3[n-]2)CC1 ZINC001233497062 1312942971 /nfs/dbraw/zinc/94/29/71/1312942971.db2.gz DSTOAAHCUSMZPO-UHFFFAOYSA-N -1 3 338.751 2.514 20 5 EFBDHM CO[C@H](C)CO[C@H](C)COc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233505677 1312946039 /nfs/dbraw/zinc/94/60/39/1312946039.db2.gz CTBIHHQCAYLLMR-RKDXNWHRSA-N -1 3 343.767 2.943 20 5 EFBDHM CO[C@H](C)CO[C@H](C)COc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233505677 1312946041 /nfs/dbraw/zinc/94/60/41/1312946041.db2.gz CTBIHHQCAYLLMR-RKDXNWHRSA-N -1 3 343.767 2.943 20 5 EFBDHM CCOC(=O)[C@H](CC)Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233506177 1312947017 /nfs/dbraw/zinc/94/70/17/1312947017.db2.gz MRRXMWBWXFDLIQ-NSHDSACASA-N -1 3 327.724 2.845 20 5 EFBDHM O=c1[n-]cc(-c2nc(-c3cc(F)c(F)c(F)c3)no2)cc1[N+](=O)[O-] ZINC001212844291 1295538350 /nfs/dbraw/zinc/53/83/50/1295538350.db2.gz MZIUFWNXTKDZPP-UHFFFAOYSA-N -1 3 338.201 2.830 20 5 EFBDHM O=c1[n-]cc(-c2nc(-c3ccc4ccncc4c3)no2)cc1[N+](=O)[O-] ZINC001212844332 1295540287 /nfs/dbraw/zinc/54/02/87/1295540287.db2.gz OGOAUCWRQRGGKR-UHFFFAOYSA-N -1 3 335.279 2.961 20 5 EFBDHM COC(=O)[C@H]1Cc2cccc(Nc3cc([O-])cc([N+](=O)[O-])c3)c2C1 ZINC001201232476 1296640869 /nfs/dbraw/zinc/64/08/69/1296640869.db2.gz QABWVKFPOAEPTE-NSHDSACASA-N -1 3 328.324 2.932 20 5 EFBDHM O=c1[n-]ccc(N2CCO[C@@H](c3ccc(F)c(F)c3)C2)c1[N+](=O)[O-] ZINC000853259030 1300072846 /nfs/dbraw/zinc/07/28/46/1300072846.db2.gz MRLQSTTVIHFDFS-CYBMUJFWSA-N -1 3 337.282 2.552 20 5 EFBDHM CC(C)(C)OC(=O)N1CCC[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000853336560 1300087916 /nfs/dbraw/zinc/08/79/16/1300087916.db2.gz DQQIGBFBKGIJMM-SNVBAGLBSA-N -1 3 338.364 2.507 20 5 EFBDHM CC(C)Oc1cccc([C@H](O)CNc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC000853344999 1300091681 /nfs/dbraw/zinc/09/16/81/1300091681.db2.gz IYOMOBXENNPGTN-CQSZACIVSA-N -1 3 333.344 2.628 20 5 EFBDHM C[C@]1(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1(Cl)Cl ZINC000832147583 1300197918 /nfs/dbraw/zinc/19/79/18/1300197918.db2.gz IDUPWQFJVGGYGS-MRVPVSSYSA-N -1 3 345.229 2.519 20 5 EFBDHM C[C@@H](C[C@H](C)Nc1cc[n-]c(=O)c1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000853707517 1300239078 /nfs/dbraw/zinc/23/90/78/1300239078.db2.gz KVZJYSBRGOZQAM-UWVGGRQHSA-N -1 3 340.380 2.799 20 5 EFBDHM CC1(CC(=O)N[C@H]2C[C@@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)CCCC1 ZINC001097182390 1313894926 /nfs/dbraw/zinc/89/49/26/1313894926.db2.gz VNRQXYAKKFFVKM-TXEJJXNPSA-N -1 3 348.403 2.725 20 5 EFBDHM O=c1[nH][n-]cc1CCCNc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC000865942670 1303462991 /nfs/dbraw/zinc/46/29/91/1303462991.db2.gz VVLRKUCMKSOCQM-SSDOTTSWSA-N -1 3 331.159 2.826 20 5 EFBDHM CC(C)CC1(C(=O)N[C@H]2C[C@@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)CC1 ZINC001097226026 1313919014 /nfs/dbraw/zinc/91/90/14/1313919014.db2.gz PBVZTSNNDMSJSZ-TXEJJXNPSA-N -1 3 348.403 2.581 20 5 EFBDHM C/C=C(\C)C(=O)N1CCC(CC)(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001066824967 1304447883 /nfs/dbraw/zinc/44/78/83/1304447883.db2.gz WPWVKEXXWUGOBY-UUILKARUSA-N -1 3 348.403 2.845 20 5 EFBDHM O=C(OCc1cc(F)ccc1[N+](=O)[O-])c1cc(F)cc2[n-]nnc21 ZINC000800263177 1307636392 /nfs/dbraw/zinc/63/63/92/1307636392.db2.gz SVDPVFSYYUCTTE-UHFFFAOYSA-N -1 3 334.238 2.501 20 5 EFBDHM O=C(OCc1cc(F)ccc1[N+](=O)[O-])c1cc(F)cc2nn[n-]c21 ZINC000800263177 1307636394 /nfs/dbraw/zinc/63/63/94/1307636394.db2.gz SVDPVFSYYUCTTE-UHFFFAOYSA-N -1 3 334.238 2.501 20 5 EFBDHM O=C(OCc1cc(F)ccc1[N+](=O)[O-])c1cc(F)cc2n[n-]nc21 ZINC000800263177 1307636397 /nfs/dbraw/zinc/63/63/97/1307636397.db2.gz SVDPVFSYYUCTTE-UHFFFAOYSA-N -1 3 334.238 2.501 20 5 EFBDHM O=C([O-])CCN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC1CC1 ZINC000901612576 1310757584 /nfs/dbraw/zinc/75/75/84/1310757584.db2.gz FQPGDDFITBSARM-UHFFFAOYSA-N -1 3 344.314 2.883 20 5 EFBDHM O=[N+]([O-])c1ccc2nc(Cl)nc(NCc3ncccc3[O-])c2c1 ZINC001158770562 1311384491 /nfs/dbraw/zinc/38/44/91/1311384491.db2.gz GPVACTDSQKRXPI-UHFFFAOYSA-N -1 3 331.719 2.904 20 5 EFBDHM C[C@@H](c1ccccn1)N1CCC[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225664978 1311561963 /nfs/dbraw/zinc/56/19/63/1311561963.db2.gz VPRCNLAVTBUWBY-QWHCGFSZSA-N -1 3 344.371 2.695 20 5 EFBDHM C[C@@H](c1ccccn1)N1CCC[C@@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225664978 1311561966 /nfs/dbraw/zinc/56/19/66/1311561966.db2.gz VPRCNLAVTBUWBY-QWHCGFSZSA-N -1 3 344.371 2.695 20 5 EFBDHM CC(=O)c1ccc([O-])c(O[C@H]2CCN(c3ccc([N+](=O)[O-])cn3)C2)c1 ZINC001225996934 1311600043 /nfs/dbraw/zinc/60/00/43/1311600043.db2.gz ZPYOIXQATMUDRF-AWEZNQCLSA-N -1 3 343.339 2.556 20 5 EFBDHM O=[N+]([O-])c1ccc2c(c1)C[C@@H](Oc1[n-]c(=S)nc3c1CCC3)C2 ZINC001226297342 1311643694 /nfs/dbraw/zinc/64/36/94/1311643694.db2.gz JZLVUYWOOIYFKI-LBPRGKRZSA-N -1 3 329.381 2.708 20 5 EFBDHM O=c1c2ccccc2nc2n1CC[C@@H]2Oc1c([O-])cccc1[N+](=O)[O-] ZINC001226332744 1311649860 /nfs/dbraw/zinc/64/98/60/1311649860.db2.gz DNNURATXYBMOLI-AWEZNQCLSA-N -1 3 339.307 2.534 20 5 EFBDHM CCOC(=O)[C@@H](C)[C@@H](Oc1c([O-])cccc1[N+](=O)[O-])C(F)(F)F ZINC001226336265 1311651270 /nfs/dbraw/zinc/65/12/70/1311651270.db2.gz OVSDSIHMLYOHFP-WRWORJQWSA-N -1 3 337.250 2.809 20 5 EFBDHM CCOC(=O)[C@@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)c1ccccc1 ZINC001227692774 1311840546 /nfs/dbraw/zinc/84/05/46/1311840546.db2.gz CURFDYMIAVNYJL-AWEZNQCLSA-N -1 3 342.311 2.549 20 5 EFBDHM C[C@H]1[C@@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)CN1C(=O)OC(C)(C)C ZINC001227743861 1311848430 /nfs/dbraw/zinc/84/84/30/1311848430.db2.gz ZKPACQDZVIPOQJ-ZANVPECISA-N -1 3 348.359 2.858 20 5 EFBDHM C[C@H]1[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)CN1C(=O)OC(C)(C)C ZINC001227743861 1311848433 /nfs/dbraw/zinc/84/84/33/1311848433.db2.gz ZKPACQDZVIPOQJ-ZANVPECISA-N -1 3 348.359 2.858 20 5 EFBDHM O=[N+]([O-])c1ccc2nc(OC[C@@H]3CC[C@]4(CCCCO4)O3)[n-]c2c1 ZINC001227746600 1311849506 /nfs/dbraw/zinc/84/95/06/1311849506.db2.gz UGEGTMFSWAVTGA-LRDDRELGSA-N -1 3 333.344 2.926 20 5 EFBDHM O=[N+]([O-])c1ccc2[n-]c(OC[C@@H]3CC[C@]4(CCCCO4)O3)nc2c1 ZINC001227746600 1311849508 /nfs/dbraw/zinc/84/95/08/1311849508.db2.gz UGEGTMFSWAVTGA-LRDDRELGSA-N -1 3 333.344 2.926 20 5 EFBDHM O=[N+]([O-])c1ccc2nc(OC[C@H]3CC[C@]4(CCCCO4)O3)[n-]c2c1 ZINC001227746607 1311849521 /nfs/dbraw/zinc/84/95/21/1311849521.db2.gz UGEGTMFSWAVTGA-WBMJQRKESA-N -1 3 333.344 2.926 20 5 EFBDHM O=[N+]([O-])c1ccc2[n-]c(OC[C@H]3CC[C@]4(CCCCO4)O3)nc2c1 ZINC001227746607 1311849524 /nfs/dbraw/zinc/84/95/24/1311849524.db2.gz UGEGTMFSWAVTGA-WBMJQRKESA-N -1 3 333.344 2.926 20 5 EFBDHM CC[C@@H](O)C(=O)Oc1c2ccccc2c([O-])c2c(O)ccc(O)c12 ZINC001228175186 1311910713 /nfs/dbraw/zinc/91/07/13/1311910713.db2.gz YCHNXBCYYAPQAP-LLVKDONJSA-N -1 3 328.320 2.786 20 5 EFBDHM Cc1cc2[n-]c(OC3CCC4(CC3)OCCO4)nc2cc1[N+](=O)[O-] ZINC001228672455 1311979553 /nfs/dbraw/zinc/97/95/53/1311979553.db2.gz UUAYOTGCKUJHTN-UHFFFAOYSA-N -1 3 333.344 2.844 20 5 EFBDHM CCOC(=O)[C@@H](Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-])c1ccccc1 ZINC001228686246 1311982073 /nfs/dbraw/zinc/98/20/73/1311982073.db2.gz MYZBCHQAPKHQDY-HNNXBMFYSA-N -1 3 332.312 2.687 20 5 EFBDHM Cc1[n-]c(=O)cc(OC[C@@H]2CCC(c3ccccc3)=NO2)c1[N+](=O)[O-] ZINC001228688152 1311982423 /nfs/dbraw/zinc/98/24/23/1311982423.db2.gz FSCSUDXZFOPQTH-ZDUSSCGKSA-N -1 3 343.339 2.966 20 5 EFBDHM COc1ccc2c(c1)CC[C@H](Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-])C2 ZINC001228690267 1311982652 /nfs/dbraw/zinc/98/26/52/1311982652.db2.gz ZLLJUPKWSZGCKN-AWEZNQCLSA-N -1 3 330.340 2.949 20 5 EFBDHM O=c1cc(C(F)(F)F)[n-]c(OC2CCN(C3CC3)CC2)c1[N+](=O)[O-] ZINC001228859947 1312011023 /nfs/dbraw/zinc/01/10/23/1312011023.db2.gz OGIJPJTVJOYICS-UHFFFAOYSA-N -1 3 347.293 2.720 20 5 EFBDHM Cc1ncc(Nc2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)c(=O)[n-]1 ZINC001162300689 1312083956 /nfs/dbraw/zinc/08/39/56/1312083956.db2.gz KRCQEOHRDPWCLX-LLVKDONJSA-N -1 3 331.719 2.606 20 5 EFBDHM O=c1[nH][n-]cc1CCCNc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001164375881 1312503897 /nfs/dbraw/zinc/50/38/97/1312503897.db2.gz WRLMOJFBJJJAMV-QMMMGPOBSA-N -1 3 330.266 2.538 20 5 EFBDHM Cc1cc([N+](=O)[O-])c(OC(C)C)cc1NCCCc1c[n-][nH]c1=O ZINC001164407067 1312509671 /nfs/dbraw/zinc/50/96/71/1312509671.db2.gz GVOOLJWGLYNSCO-GFCCVEGCSA-N -1 3 334.376 2.614 20 5 EFBDHM CCOC(=O)c1cc(Nc2cc(=O)[n-]c(C3CC3)n2)cc([N+](=O)[O-])c1 ZINC001211366979 1314484928 /nfs/dbraw/zinc/48/49/28/1314484928.db2.gz AAMNQZSLRFPMEF-UHFFFAOYSA-N -1 3 344.327 2.888 20 5 EFBDHM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001213768221 1314600711 /nfs/dbraw/zinc/60/07/11/1314600711.db2.gz LXVAOJBVOQNRDU-CZULRBLNSA-N -1 3 330.793 2.571 20 5 EFBDHM COc1ccc(-c2noc(C(=O)[N-]c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC001247998246 1314879662 /nfs/dbraw/zinc/87/96/62/1314879662.db2.gz ANXXDQYMTVFKIB-UHFFFAOYSA-N -1 3 340.295 2.906 20 5 EFBDHM Cc1cccnc1-c1noc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2)n1 ZINC001248001005 1314879953 /nfs/dbraw/zinc/87/99/53/1314879953.db2.gz WQJBGCGTCULTJX-UHFFFAOYSA-N -1 3 325.284 2.601 20 5 EFBDHM COC(=O)c1cc2[nH]c(-c3cc([N+](=O)[O-])ccc3[O-])nc2cc1OC ZINC001251046495 1315314168 /nfs/dbraw/zinc/31/41/68/1315314168.db2.gz UCBYNUYAZNEWEE-UHFFFAOYSA-N -1 3 343.295 2.639 20 5 EFBDHM O=c1[n-]cc(-c2nnc(Cc3cccc(Cl)c3)o2)cc1[N+](=O)[O-] ZINC001254463899 1315706477 /nfs/dbraw/zinc/70/64/77/1315706477.db2.gz QIWOPXFJUBTKCM-UHFFFAOYSA-N -1 3 332.703 2.990 20 5 EFBDHM Cc1nc[n-]c(=O)c1CCC(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001320875916 1329313267 /nfs/dbraw/zinc/31/32/67/1329313267.db2.gz QGUCWEZFHBCGRZ-NSHDSACASA-N -1 3 331.328 2.636 20 5 EFBDHM C[C@H]1CCc2ccccc2N1CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001333671786 1331191329 /nfs/dbraw/zinc/19/13/29/1331191329.db2.gz PLZNEABUCCKFHB-LBPRGKRZSA-N -1 3 328.372 2.949 20 5 EFBDHM CCCCNc1nnc(Sc2cc[n-]c(=O)c2[N+](=O)[O-])s1 ZINC001347178777 1332722079 /nfs/dbraw/zinc/72/20/79/1332722079.db2.gz PVVWNEMRRTYDOG-UHFFFAOYSA-N -1 3 327.391 2.910 20 5 EFBDHM O=C([N-][C@@H]1CCC(F)(F)C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848584558 1334807160 /nfs/dbraw/zinc/80/71/60/1334807160.db2.gz BQDNTBSDVKRAEA-MRVPVSSYSA-N -1 3 336.241 2.870 20 5 EFBDHM CC(C)Oc1nc(NCc2nc(C(F)(F)F)n[n-]2)ccc1[N+](=O)[O-] ZINC000848681706 1334838362 /nfs/dbraw/zinc/83/83/62/1334838362.db2.gz PTVMMYRBXOEPHR-UHFFFAOYSA-N -1 3 346.269 2.526 20 5 EFBDHM Cc1c(CN[C@H](C)c2cccc(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC000826236221 1423843339 /nfs/dbraw/zinc/84/33/39/1423843339.db2.gz CTMUGFWKBMFCRM-GFCCVEGCSA-N -1 3 338.371 2.934 20 5 EFBDHM Cc1c(CN[C@H](C)c2cccc(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC000826236221 1423843353 /nfs/dbraw/zinc/84/33/53/1423843353.db2.gz CTMUGFWKBMFCRM-GFCCVEGCSA-N -1 3 338.371 2.934 20 5 EFBDHM COc1c([O-])ccc(CN2CCOC[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000892121645 715263215 /nfs/dbraw/zinc/26/32/15/715263215.db2.gz UVPNUJJDWGFLDC-OAHLLOKOSA-N -1 3 344.367 2.883 20 5 EFBDHM Cc1cc(N[C@H]2C[C@@H](NC(=O)c3ccccc3[O-])C2)ccc1[N+](=O)[O-] ZINC001059553926 724494210 /nfs/dbraw/zinc/49/42/10/724494210.db2.gz HDSYHURNHONRHQ-OKILXGFUSA-N -1 3 341.367 2.982 20 5 EFBDHM O=C(N[C@H]1C[C@@H](Nc2cccc(F)c2[N+](=O)[O-])C1)c1ccccc1[O-] ZINC001059554609 724512941 /nfs/dbraw/zinc/51/29/41/724512941.db2.gz SZSXDBFDFDHOFA-PHIMTYICSA-N -1 3 345.330 2.812 20 5 EFBDHM O=C(N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2F)C1)c1ccccc1[O-] ZINC001059554611 724513026 /nfs/dbraw/zinc/51/30/26/724513026.db2.gz TVVKEPXFUIFPAZ-PHIMTYICSA-N -1 3 345.330 2.812 20 5 EFBDHM Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc([O-])cc2)cccc1[N+](=O)[O-] ZINC000022474747 724745999 /nfs/dbraw/zinc/74/59/99/724745999.db2.gz MBDHXYFFKWUYGL-NSHDSACASA-N -1 3 344.323 2.793 20 5 EFBDHM O=C(CC1=CCCCC1)N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001059170540 722753968 /nfs/dbraw/zinc/75/39/68/722753968.db2.gz DXWKDAUYZDFOTM-JOCQHMNTSA-N -1 3 346.387 2.645 20 5 EFBDHM Cn1ncc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)c1C(F)(F)F ZINC000917610863 728767809 /nfs/dbraw/zinc/76/78/09/728767809.db2.gz FJJBAZUGMRRWEZ-UHFFFAOYSA-N -1 3 332.213 2.739 20 5 EFBDHM Cc1ccc(-n2cc(C(=O)[N-]c3cc([N+](=O)[O-])ccc3F)nn2)cc1 ZINC000127636618 725765281 /nfs/dbraw/zinc/76/52/81/725765281.db2.gz NUHGIZVQLUMKCD-UHFFFAOYSA-N -1 3 341.302 2.875 20 5 EFBDHM Cc1c(CO[N-]C(=O)CCOc2ccccc2)cccc1[N+](=O)[O-] ZINC000109743904 725771506 /nfs/dbraw/zinc/77/15/06/725771506.db2.gz IYQCGIBFTWICIG-UHFFFAOYSA-N -1 3 330.340 2.920 20 5 EFBDHM CCN1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H](C)C1 ZINC000910265538 727424945 /nfs/dbraw/zinc/42/49/45/727424945.db2.gz ISWUKVPNNZOLNZ-JTQLQIEISA-N -1 3 341.795 2.510 20 5 EFBDHM