smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(/C=C\c1ccccc1[N+](=O)[O-])OCC(=O)Nc1ccc(Cl)cn1 ZINC000097655820 728483592 /nfs/dbraw/zinc/48/35/92/728483592.db2.gz QOTQDSKVVFEEAF-YVMONPNESA-N 0 0 361.741 2.838 50 5 FFBARN O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 ZINC000001087428 203981958 /nfs/dbraw/zinc/98/19/58/203981958.db2.gz DPZDLAHFTWFPCH-UHFFFAOYSA-N 0 0 373.346 2.668 50 5 FFBARN CCCN1c2ccccc2[C@](O)(CC(=O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000001133912 203985441 /nfs/dbraw/zinc/98/54/41/203985441.db2.gz ZVSMYRMNAXHGFA-LJQANCHMSA-N 0 0 354.362 2.812 50 5 FFBARN COC(=O)c1ccc(NC(=S)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000001173196 203991110 /nfs/dbraw/zinc/99/11/10/203991110.db2.gz DDQSCNDAODCPSN-UHFFFAOYSA-N 0 0 373.390 2.817 50 5 FFBARN O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1cccc([N+](=O)[O-])c1 ZINC000001466562 204009185 /nfs/dbraw/zinc/00/91/85/204009185.db2.gz SXMSCYZJCOLBOV-UHFFFAOYSA-N 0 0 353.334 2.610 50 5 FFBARN O=C1CCCc2nc3nc(SCc4ccc([N+](=O)[O-])cc4)nn3cc21 ZINC000002334268 204034293 /nfs/dbraw/zinc/03/42/93/204034293.db2.gz JATDLETZMSAUPW-UHFFFAOYSA-N 0 0 355.379 2.844 50 5 FFBARN O=C(c1ccn(COc2ccc([N+](=O)[O-])cc2Cl)n1)N1CCCC1 ZINC000002799174 204058803 /nfs/dbraw/zinc/05/88/03/204058803.db2.gz SMSAGUIHGRTNGW-UHFFFAOYSA-N 0 0 350.762 2.717 50 5 FFBARN O=C1OCC2=C1[C@@H](c1ccccc1[N+](=O)[O-])c1cc3c(cc1N2)OCCO3 ZINC000004051774 204119873 /nfs/dbraw/zinc/11/98/73/204119873.db2.gz DERNCXGDCOYZIX-KRWDZBQOSA-N 0 0 366.329 2.734 50 5 FFBARN O=C(CSc1nncn1-c1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000003544146 204106098 /nfs/dbraw/zinc/10/60/98/204106098.db2.gz ZGQUCPBXTITZJV-UHFFFAOYSA-N 0 0 355.379 2.906 50 5 FFBARN COc1ccc(C2=N/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1[N+](=O)[O-] ZINC000004644263 204151662 /nfs/dbraw/zinc/15/16/62/204151662.db2.gz UBRQTLGFVCUCIB-JYRVWZFOSA-N 0 0 369.289 2.856 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000004731992 204159487 /nfs/dbraw/zinc/15/94/87/204159487.db2.gz KPBOHTIMHJXDPW-NSHDSACASA-N 0 0 373.340 2.734 50 5 FFBARN O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@H](C(=O)N2CCCCCC2)C1 ZINC000004746127 204161083 /nfs/dbraw/zinc/16/10/83/204161083.db2.gz IZXVXUJJNOOBKR-INIZCTEOSA-N 0 0 359.426 2.850 50 5 FFBARN COc1ccc(C(=O)Nc2nnc(-c3ccncc3)s2)cc1[N+](=O)[O-] ZINC000004749964 204161963 /nfs/dbraw/zinc/16/19/63/204161963.db2.gz ASYZTXBXLGRNRT-UHFFFAOYSA-N 0 0 357.351 2.769 50 5 FFBARN CCOc1ccc(C(=O)Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)cc1 ZINC000004412054 204138795 /nfs/dbraw/zinc/13/87/95/204138795.db2.gz FUMRYGBBIOBTGO-UHFFFAOYSA-N 0 0 353.334 2.586 50 5 FFBARN CCNC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1OC ZINC000004520395 204144877 /nfs/dbraw/zinc/14/48/77/204144877.db2.gz OZQPIDXBHWFDOW-FOWTUZBSSA-N 0 0 369.377 2.510 50 5 FFBARN COc1cc(NC(=O)c2noc(C(C)C)c2[N+](=O)[O-])cc(OC)c1OC ZINC000004937537 204177744 /nfs/dbraw/zinc/17/77/44/204177744.db2.gz VNUWAWASFQBOKY-UHFFFAOYSA-N 0 0 365.342 2.984 50 5 FFBARN Cc1nc2ccccc2c(=O)n1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000005199088 204197775 /nfs/dbraw/zinc/19/77/75/204197775.db2.gz FIRIJGWVRPUYPH-UHFFFAOYSA-N 0 0 358.741 2.650 50 5 FFBARN Nc1cc(S(=O)(=O)N2CCCC2)ccc1Oc1ccc([N+](=O)[O-])cc1 ZINC000006584261 204254530 /nfs/dbraw/zinc/25/45/30/204254530.db2.gz LCDKJDXGPDLQFS-UHFFFAOYSA-N 0 0 363.395 2.754 50 5 FFBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1nn(C)c(=O)c2ccccc21 ZINC000007066797 204288155 /nfs/dbraw/zinc/28/81/55/204288155.db2.gz NESLNVMHUCYCCR-LBPRGKRZSA-N 0 0 366.377 2.675 50 5 FFBARN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)c1C ZINC000007323162 204295704 /nfs/dbraw/zinc/29/57/04/204295704.db2.gz OKAJGHBWQCLYAC-UHFFFAOYSA-N 0 0 364.379 2.784 50 5 FFBARN O=C(Cn1c(=O)cnc2ccccc21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000007985730 204312350 /nfs/dbraw/zinc/31/23/50/204312350.db2.gz CFFOSADVXKGCQI-UHFFFAOYSA-N 0 0 358.741 2.597 50 5 FFBARN COc1cccc(N2C[C@@H](C(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)c1 ZINC000008247520 204323369 /nfs/dbraw/zinc/32/33/69/204323369.db2.gz ROSYEPLEFSKFDZ-LBPRGKRZSA-N 0 0 355.350 2.595 50 5 FFBARN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NCc1ccccc1F ZINC000008246666 204324073 /nfs/dbraw/zinc/32/40/73/204324073.db2.gz NHGXPJOSAZSUIE-UHFFFAOYSA-N 0 0 373.340 2.738 50 5 FFBARN O=C(COc1cccc([N+](=O)[O-])c1)NCCOc1ccc(Cl)cc1 ZINC000007489420 204299216 /nfs/dbraw/zinc/29/92/16/204299216.db2.gz KUGKOQJMYMTIKQ-UHFFFAOYSA-N 0 0 350.758 2.822 50 5 FFBARN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCNC(=O)c1ccco1 ZINC000008980775 204350058 /nfs/dbraw/zinc/35/00/58/204350058.db2.gz LKRRLHNSPURDBP-UHFFFAOYSA-N 0 0 365.773 2.620 50 5 FFBARN C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CCCOc2ccccc2)C1=O ZINC000009453780 204368030 /nfs/dbraw/zinc/36/80/30/204368030.db2.gz FHVCZDLPEOBECZ-LJQANCHMSA-N 0 0 369.377 2.831 50 5 FFBARN CCOc1ccccc1CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000009457822 204368147 /nfs/dbraw/zinc/36/81/47/204368147.db2.gz URNKMGNTWLAPGN-LJQANCHMSA-N 0 0 369.377 2.961 50 5 FFBARN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC1c2ccccc2-c2ccccc21 ZINC000009685824 204378450 /nfs/dbraw/zinc/37/84/50/204378450.db2.gz PTZGTRBIHQPUFH-UHFFFAOYSA-N 0 0 361.357 2.643 50 5 FFBARN COc1cc(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccn1 ZINC000012757037 204490937 /nfs/dbraw/zinc/49/09/37/204490937.db2.gz WBQYJMILBHOWFO-UHFFFAOYSA-N 0 0 373.412 2.875 50 5 FFBARN O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000015835143 204621150 /nfs/dbraw/zinc/62/11/50/204621150.db2.gz LBCMNWSCNHVUHB-MRXNPFEDSA-N 0 0 361.785 2.780 50 5 FFBARN CCSCCOC(=O)C1=C(C)NC(=O)C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000017074881 204649593 /nfs/dbraw/zinc/64/95/93/204649593.db2.gz UHUJDIGZHQZTNK-CQSZACIVSA-N 0 0 364.423 2.769 50 5 FFBARN Cc1ccc(C(=O)COC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1C ZINC000032724185 204933957 /nfs/dbraw/zinc/93/39/57/204933957.db2.gz BZQQRLNJAPQSHK-UHFFFAOYSA-N 0 0 357.318 2.980 50 5 FFBARN Cc1nn(Cn2cnc3c4ccccc4sc3c2=O)c(C)c1[N+](=O)[O-] ZINC000036614537 205017307 /nfs/dbraw/zinc/01/73/07/205017307.db2.gz OWPNILUZGMNAGE-UHFFFAOYSA-N 0 0 355.379 2.839 50 5 FFBARN COc1ccc(C(=O)N(C)C)cc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000055841056 205224265 /nfs/dbraw/zinc/22/42/65/205224265.db2.gz CYTLETDBQDWEFQ-UHFFFAOYSA-N 0 0 357.366 2.866 50 5 FFBARN O=C(c1cc2cc([N+](=O)[O-])ccc2[nH]1)N1CCC(C(=O)N2CCCC2)CC1 ZINC000056294133 205229685 /nfs/dbraw/zinc/22/96/85/205229685.db2.gz ICQVKKBNURIPMW-UHFFFAOYSA-N 0 0 370.409 2.551 50 5 FFBARN O=C(N[C@H](CN1CCCC1=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000056481623 205231416 /nfs/dbraw/zinc/23/14/16/205231416.db2.gz IGXIUTLUTHIGJB-QGZVFWFLSA-N 0 0 353.378 2.688 50 5 FFBARN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)C[C@@H]1COc2ccccc2O1 ZINC000057451361 205240391 /nfs/dbraw/zinc/24/03/91/205240391.db2.gz CJTPQHPCSHTCRL-CQSZACIVSA-N 0 0 371.393 2.614 50 5 FFBARN CCN(Cc1cccc(F)c1)C(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000057637840 205242607 /nfs/dbraw/zinc/24/26/07/205242607.db2.gz SWPWUUBGCGGTOG-ZDUSSCGKSA-N 0 0 373.384 2.901 50 5 FFBARN CN1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000055428170 205218988 /nfs/dbraw/zinc/21/89/88/205218988.db2.gz SEAXFCHRQRVESK-IBGZPJMESA-N 0 0 368.437 2.912 50 5 FFBARN COc1cccc(CNC(=O)c2c[nH]nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000072329377 205512347 /nfs/dbraw/zinc/51/23/47/205512347.db2.gz UBKLSODZMXAKCS-UHFFFAOYSA-N 0 0 352.350 2.924 50 5 FFBARN Cc1cc(C(F)(F)F)nn1CCCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000002872615 206157498 /nfs/dbraw/zinc/15/74/98/206157498.db2.gz MWTVJBLZWGQWFC-UHFFFAOYSA-N 0 0 356.304 2.939 50 5 FFBARN CC(C)c1ccccc1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000003253249 206158815 /nfs/dbraw/zinc/15/88/15/206158815.db2.gz HDKXXHZXYZGPEV-UHFFFAOYSA-N 0 0 367.361 2.953 50 5 FFBARN CCOc1ccc(C(C)=O)cc1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000003602247 206163497 /nfs/dbraw/zinc/16/34/97/206163497.db2.gz KUOBCVUGPAIDQX-UHFFFAOYSA-N 0 0 368.345 2.992 50 5 FFBARN O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000004496297 206178815 /nfs/dbraw/zinc/17/88/15/206178815.db2.gz WDTXNORBCWAQAT-UHFFFAOYSA-N 0 0 352.343 2.536 50 5 FFBARN O=C(COC(=O)c1ccccn1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000005693510 206197108 /nfs/dbraw/zinc/19/71/08/206197108.db2.gz UQLGYWUZDZEVNF-UHFFFAOYSA-N 0 0 369.255 2.804 50 5 FFBARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000005672384 206198616 /nfs/dbraw/zinc/19/86/16/206198616.db2.gz HVKOEVULOCKPLZ-LLVKDONJSA-N 0 0 371.349 2.737 50 5 FFBARN CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)NC(=O)N1 ZINC000006046888 206201277 /nfs/dbraw/zinc/20/12/77/206201277.db2.gz NIZCLMPPFNTJLT-MRXNPFEDSA-N 0 0 352.350 2.861 50 5 FFBARN C[C@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000006646323 206203806 /nfs/dbraw/zinc/20/38/06/206203806.db2.gz XELDYPPXWBJDHL-NSHDSACASA-N 0 0 359.407 2.663 50 5 FFBARN O=C(Cn1cc(Br)c([N+](=O)[O-])n1)Nc1ccc(Cl)cc1 ZINC000000997408 206225320 /nfs/dbraw/zinc/22/53/20/206225320.db2.gz DWODVLXZDJVJMR-UHFFFAOYSA-N 0 0 359.567 2.846 50 5 FFBARN Cc1ccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] ZINC000002680421 206229922 /nfs/dbraw/zinc/22/99/22/206229922.db2.gz UAPQJEKAZGJPEH-UHFFFAOYSA-N 0 0 353.334 2.528 50 5 FFBARN O=C1[C@H]2ON=C(c3ccc([N+](=O)[O-])cc3)C2=C(O)N1c1ccccc1Cl ZINC000103889818 206236368 /nfs/dbraw/zinc/23/63/68/206236368.db2.gz HQLLCKYHWPVNOU-ZFWWWQNUSA-N 0 0 371.736 2.541 50 5 FFBARN Cc1ccc(N2C(=O)[C@H]3ON=C(c4ccc([N+](=O)[O-])cc4)C3=C2O)c(C)c1 ZINC000103945263 206236742 /nfs/dbraw/zinc/23/67/42/206236742.db2.gz PEODFDAIUIXEHI-RDJZCZTQSA-N 0 0 365.345 2.504 50 5 FFBARN N=C1NC(=O)/C(=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)S1 ZINC000005649392 206240681 /nfs/dbraw/zinc/24/06/81/206240681.db2.gz FCJIBJVKKCVOGM-ZSOIEALJSA-N 0 0 369.358 2.953 50 5 FFBARN COc1cccc(C(=O)/N=c2/sc3cc([N+](=O)[O-])ccc3n2C)c1OC ZINC000012237936 206288490 /nfs/dbraw/zinc/28/84/90/206288490.db2.gz YZGGRCGYHKFCRW-ISLYRVAYSA-N 0 0 373.390 2.906 50 5 FFBARN NS(=O)(=O)c1ccc(N2CCC[C@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000012552719 206293217 /nfs/dbraw/zinc/29/32/17/206293217.db2.gz ZPDGYXSSTKHYEA-LBPRGKRZSA-N 0 0 353.425 2.645 50 5 FFBARN Cc1ccc2cc(CCNC(=O)c3cccc([N+](=O)[O-])c3)c(=O)[nH]c2c1 ZINC000013523305 206303720 /nfs/dbraw/zinc/30/37/20/206303720.db2.gz MONUMVQHAPTABM-UHFFFAOYSA-N 0 0 351.362 2.717 50 5 FFBARN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000023057680 206398455 /nfs/dbraw/zinc/39/84/55/206398455.db2.gz OUVUVGOOYBYVAA-DLBZAZTESA-N 0 0 374.485 2.674 50 5 FFBARN Cc1cc(C(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])on1 ZINC000024483667 206410387 /nfs/dbraw/zinc/41/03/87/206410387.db2.gz QEHNFLXPLPOJSO-ZDUSSCGKSA-N 0 0 361.354 2.704 50 5 FFBARN CC(=O)c1c(C)[nH]c(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1C ZINC000008780396 132260110 /nfs/dbraw/zinc/26/01/10/132260110.db2.gz HOPISSFVUMWKNY-UHFFFAOYSA-N 0 0 370.409 2.705 50 5 FFBARN C[C@H](CNC(=O)OC(C)(C)C)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000225388743 132284286 /nfs/dbraw/zinc/28/42/86/132284286.db2.gz ITRHXZXQXQJAKR-CQSZACIVSA-N 0 0 364.446 2.630 50 5 FFBARN CCOc1ccccc1N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000001198882 132381000 /nfs/dbraw/zinc/38/10/00/132381000.db2.gz LDNNAURSBVSDIW-UHFFFAOYSA-N 0 0 355.394 2.956 50 5 FFBARN COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 ZINC000004785252 132824638 /nfs/dbraw/zinc/82/46/38/132824638.db2.gz RTHUCJJXWAAULS-UHFFFAOYSA-N 0 0 357.366 2.692 50 5 FFBARN Cc1cccc(Nc2nc(N)c([N+](=O)[O-])c(N3C[C@@H](C)O[C@H](C)C3)n2)c1 ZINC000009411311 132846424 /nfs/dbraw/zinc/84/64/24/132846424.db2.gz RXYPIRVTRFPUBB-VXGBXAGGSA-N 0 0 358.402 2.633 50 5 FFBARN O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000047254699 136122763 /nfs/dbraw/zinc/12/27/63/136122763.db2.gz CXEJXUSHYUGXQS-NSHDSACASA-N 0 0 361.789 2.893 50 5 FFBARN CC(=O)c1ccc(N2CCC(NC(=O)c3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000048369123 136123600 /nfs/dbraw/zinc/12/36/00/136123600.db2.gz IBADAXXPRQJVQO-UHFFFAOYSA-N 0 0 368.393 2.591 50 5 FFBARN CC(=O)N(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(C)cc1 ZINC000000712116 506229893 /nfs/dbraw/zinc/22/98/93/506229893.db2.gz VPTNNGJINVEUKN-UHFFFAOYSA-N 0 0 353.334 2.510 50 5 FFBARN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC[C@H]1CCCO1 ZINC000032780746 506295353 /nfs/dbraw/zinc/29/53/53/506295353.db2.gz XGQPVXVIGBMEFH-LLVKDONJSA-N 0 0 361.320 2.711 50 5 FFBARN Cc1noc(C)c1[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000033086877 506334158 /nfs/dbraw/zinc/33/41/58/506334158.db2.gz IRJNAAZVVZCTEP-CQSZACIVSA-N 0 0 351.384 2.725 50 5 FFBARN CC(=O)N1CCN(c2cc(Br)c([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000004593444 506384674 /nfs/dbraw/zinc/38/46/74/506384674.db2.gz XTLJWSKNLHQHSF-QMMMGPOBSA-N 0 0 360.183 2.553 50 5 FFBARN CSc1ncccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000005895876 506460728 /nfs/dbraw/zinc/46/07/28/506460728.db2.gz KPOPHJTVIFWTMY-UHFFFAOYSA-N 0 0 358.423 2.674 50 5 FFBARN O=C1NC(=S)NC(=O)C12Cc1cc([N+](=O)[O-])ccc1N1CCCCC[C@@H]12 ZINC000009009365 506677249 /nfs/dbraw/zinc/67/72/49/506677249.db2.gz IJBKDEZOSVNXCY-CYBMUJFWSA-N 0 0 374.422 2.669 50 5 FFBARN CSc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000009690562 506708945 /nfs/dbraw/zinc/70/89/45/506708945.db2.gz UZHOIAGRCNYPIR-UHFFFAOYSA-N 0 0 358.423 2.674 50 5 FFBARN CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(N)=O)cc1 ZINC000012509658 506870105 /nfs/dbraw/zinc/87/01/05/506870105.db2.gz XNIDPAONKZUMOJ-UHFFFAOYSA-N 0 0 356.382 2.792 50 5 FFBARN COC(=O)c1ccc(CN(C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000013016445 506925673 /nfs/dbraw/zinc/92/56/73/506925673.db2.gz NNFBWVNOHVVIJO-UHFFFAOYSA-N 0 0 372.377 2.880 50 5 FFBARN CS(=O)(=O)c1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 ZINC000014784647 506999270 /nfs/dbraw/zinc/99/92/70/506999270.db2.gz UGZOQWLNERNMAX-UHFFFAOYSA-N 0 0 366.420 2.729 50 5 FFBARN COc1ccc(CNC(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000015330790 507033136 /nfs/dbraw/zinc/03/31/36/507033136.db2.gz QFWGAEPABZVWRU-LBPRGKRZSA-N 0 0 360.366 2.696 50 5 FFBARN O=[N+]([O-])c1cccc(OS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 ZINC000016091807 507072890 /nfs/dbraw/zinc/07/28/90/507072890.db2.gz FIAKKVPNDDOHMM-UHFFFAOYSA-N 0 0 351.336 2.524 50 5 FFBARN O=[N+]([O-])c1cc(-c2nc(-c3ccncc3)no2)ccc1N1CCOCC1 ZINC000020898028 507237319 /nfs/dbraw/zinc/23/73/19/507237319.db2.gz STIBXQBOKBTTOM-UHFFFAOYSA-N 0 0 353.338 2.543 50 5 FFBARN Cc1ccc(CN2C[C@@H](C(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)cc1 ZINC000023243605 507341020 /nfs/dbraw/zinc/34/10/20/507341020.db2.gz ALQKEWFLDNANMJ-HNNXBMFYSA-N 0 0 353.378 2.890 50 5 FFBARN CC(=O)N1c2ccc(C(=O)COc3ccc(C)nc3[N+](=O)[O-])cc2C[C@@H]1C ZINC000024827318 507440814 /nfs/dbraw/zinc/44/08/14/507440814.db2.gz MITOECOVHJEIAT-LBPRGKRZSA-N 0 0 369.377 2.857 50 5 FFBARN COc1ccc(C2=N/C(=C\c3ccc4c(c3)OCO4)C(=O)O2)cc1[N+](=O)[O-] ZINC000027519226 507662932 /nfs/dbraw/zinc/66/29/32/507662932.db2.gz FFODDADRXSJLOL-SDQBBNPISA-N 0 0 368.301 2.677 50 5 FFBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(Cn2cccn2)c1 ZINC000031722551 507821313 /nfs/dbraw/zinc/82/13/13/507821313.db2.gz XECLZTNNZXAYEH-UHFFFAOYSA-N 0 0 372.406 2.949 50 5 FFBARN CCCN(CCc1ccccn1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000084755212 521672704 /nfs/dbraw/zinc/67/27/04/521672704.db2.gz QFORSPOGQQLZOR-UHFFFAOYSA-N 0 0 363.439 2.774 50 5 FFBARN COc1ccccc1N1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000000834247 537066784 /nfs/dbraw/zinc/06/67/84/537066784.db2.gz MPGXYBFNADPTIS-UHFFFAOYSA-N 0 0 355.394 2.874 50 5 FFBARN C[C@@H]1CC(=O)N(c2ccc(NCCc3ccccn3)c([N+](=O)[O-])c2)C1=O ZINC000102603528 570834187 /nfs/dbraw/zinc/83/41/87/570834187.db2.gz IUGRUUIVGOQHNP-GFCCVEGCSA-N 0 0 354.366 2.544 50 5 FFBARN C[C@@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000004763660 219605907 /nfs/dbraw/zinc/60/59/07/219605907.db2.gz RMDSOBUAMXNVDC-CYBMUJFWSA-N 0 0 358.350 2.953 50 5 FFBARN CCN1c2ccc([N+](=O)[O-])cc2[C@](O)(CC(=O)c2ccc(F)cc2)C1=O ZINC000005013645 219640619 /nfs/dbraw/zinc/64/06/19/219640619.db2.gz XCJZWQGDTOQNQW-GOSISDBHSA-N 0 0 358.325 2.561 50 5 FFBARN COC(=O)c1cc(C(=O)Nc2ccc(OC)cc2OC)cc([N+](=O)[O-])c1 ZINC000001097969 203982176 /nfs/dbraw/zinc/98/21/76/203982176.db2.gz ZJQCUQZKJGVMOB-UHFFFAOYSA-N 0 0 360.322 2.651 50 5 FFBARN Cc1c(C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cccc1[N+](=O)[O-] ZINC000001127171 203985811 /nfs/dbraw/zinc/98/58/11/203985811.db2.gz GGQGVHZPIZEBLQ-UHFFFAOYSA-N 0 0 363.395 2.551 50 5 FFBARN CCOC(=O)Cc1csc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000001140634 203986643 /nfs/dbraw/zinc/98/66/43/203986643.db2.gz AKFNMVRSIPUPFJ-JTQLQIEISA-N 0 0 363.395 2.899 50 5 FFBARN O=C(NCCc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000010326768 204009080 /nfs/dbraw/zinc/00/90/80/204009080.db2.gz QCUGAGXDYVFIJY-UHFFFAOYSA-N 0 0 365.748 2.685 50 5 FFBARN O=c1oc2cc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc2s1 ZINC000002208357 204029367 /nfs/dbraw/zinc/02/93/67/204029367.db2.gz AVNVIWCUBKKWPQ-UHFFFAOYSA-N 0 0 353.333 2.530 50 5 FFBARN O=C(NCc1cccnc1)c1cccn2c(=O)c3cc(Cl)ccc3nc12 ZINC000002957340 204069739 /nfs/dbraw/zinc/06/97/39/204069739.db2.gz QRZFGAQUVATENN-UHFFFAOYSA-N 0 0 364.792 2.826 50 5 FFBARN Cc1cc2c(cc1C)N[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)N2 ZINC000004115952 204121691 /nfs/dbraw/zinc/12/16/91/204121691.db2.gz LCYXUFMXQYWZEG-MRXNPFEDSA-N 0 0 354.366 2.973 50 5 FFBARN Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000003417649 204099435 /nfs/dbraw/zinc/09/94/35/204099435.db2.gz KDYHVTXPKLMFFV-UHFFFAOYSA-N 0 0 353.378 2.501 50 5 FFBARN COc1cc(C(=O)Nc2ccc(N(C)C(C)=O)cc2)c([N+](=O)[O-])cc1OC ZINC000004616595 204150676 /nfs/dbraw/zinc/15/06/76/204150676.db2.gz AZDNAXXUOUUVTB-UHFFFAOYSA-N 0 0 373.365 2.847 50 5 FFBARN COc1ccc(-c2noc(CNC(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000005426695 204207926 /nfs/dbraw/zinc/20/79/26/204207926.db2.gz NOQHEEXQKLSZBN-UHFFFAOYSA-N 0 0 354.322 2.583 50 5 FFBARN Cc1cc(NC(=O)CCCn2nc([N+](=O)[O-])c(Br)c2C)no1 ZINC000004881418 204172374 /nfs/dbraw/zinc/17/23/74/204172374.db2.gz KXVDTHLSYOSGKN-UHFFFAOYSA-N 0 0 372.179 2.578 50 5 FFBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(CCCc2ccccc2)CC1 ZINC000005022461 204185190 /nfs/dbraw/zinc/18/51/90/204185190.db2.gz HOFJQZTUSVUOPF-UHFFFAOYSA-N 0 0 353.422 2.985 50 5 FFBARN COc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000005126772 204192843 /nfs/dbraw/zinc/19/28/43/204192843.db2.gz GXDHRWRUALKCCD-UHFFFAOYSA-N 0 0 352.368 2.721 50 5 FFBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C(=O)CC2(CCCCC2)C1=O ZINC000007046796 204286770 /nfs/dbraw/zinc/28/67/70/204286770.db2.gz DBSRDOOMJBQBSR-UHFFFAOYSA-N 0 0 359.382 2.551 50 5 FFBARN O=C(Cc1c(F)cccc1Cl)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000007842741 204308759 /nfs/dbraw/zinc/30/87/59/204308759.db2.gz CBEVFTVCOHLHSL-HNNXBMFYSA-N 0 0 352.749 2.780 50 5 FFBARN CCN(C[C@H]1COc2ccccc2O1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000007889632 204310468 /nfs/dbraw/zinc/31/04/68/204310468.db2.gz SEMNWEJMQKCKDK-INIZCTEOSA-N 0 0 372.377 2.662 50 5 FFBARN CSC1=C([N+](=O)[O-])[C@H](c2cccc(Br)c2)NC(=O)N1C ZINC000008346052 204328520 /nfs/dbraw/zinc/32/85/20/204328520.db2.gz WZZWKUXOFCNCHX-VIFPVBQESA-N 0 0 358.217 2.954 50 5 FFBARN Cc1nnc2sc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])o4)c3)nn12 ZINC000008927251 204349306 /nfs/dbraw/zinc/34/93/06/204349306.db2.gz SZLYKCUPYAZKDV-UHFFFAOYSA-N 0 0 370.350 2.915 50 5 FFBARN CCCc1nnc(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)[nH]1 ZINC000008727374 204341064 /nfs/dbraw/zinc/34/10/64/204341064.db2.gz KXZPPTCATOFMLG-SECBINFHSA-N 0 0 365.415 2.793 50 5 FFBARN COc1cc(C(=O)Nc2nc(C)cs2)c([N+](=O)[O-])c(OC)c1OC ZINC000009908634 204386698 /nfs/dbraw/zinc/38/66/98/204386698.db2.gz STNPFWNEMCKBNJ-UHFFFAOYSA-N 0 0 353.356 2.638 50 5 FFBARN Cc1cc(NC(=O)[C@@H](C)OC(=O)c2cc(Cl)ccc2[N+](=O)[O-])no1 ZINC000010028873 204388979 /nfs/dbraw/zinc/38/89/79/204388979.db2.gz OORRFXPHDFFONA-MRVPVSSYSA-N 0 0 353.718 2.729 50 5 FFBARN CCn1ccnc1S[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000011889031 204421148 /nfs/dbraw/zinc/42/11/48/204421148.db2.gz PPOBIMFSRPEDOB-JTQLQIEISA-N 0 0 350.400 2.939 50 5 FFBARN CCN(CC(=O)NCc1cccs1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000013015806 204521175 /nfs/dbraw/zinc/52/11/75/204521175.db2.gz IWBRPGTUAWOCPT-JXMROGBWSA-N 0 0 373.434 2.834 50 5 FFBARN Cc1[nH]nc(C(F)(F)F)c1NC(=O)CCn1cc(Cl)c([N+](=O)[O-])n1 ZINC000017075347 204649457 /nfs/dbraw/zinc/64/94/57/204649457.db2.gz SVMCCVJGHNRPCB-UHFFFAOYSA-N 0 0 366.687 2.524 50 5 FFBARN COc1ccc(OCCOC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000023291579 204799774 /nfs/dbraw/zinc/79/97/74/204799774.db2.gz KVOIRJCRXBNMIJ-UHFFFAOYSA-N 0 0 361.306 2.568 50 5 FFBARN CC[C@H]1CCCN(C(=O)c2cc(OC)c(OC)c(OC)c2[N+](=O)[O-])C1 ZINC000031681225 204919052 /nfs/dbraw/zinc/91/90/52/204919052.db2.gz PLCRRNWRJCVTSB-NSHDSACASA-N 0 0 352.387 2.883 50 5 FFBARN CCOCCCNC(=O)/C=C/c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000032906318 204945798 /nfs/dbraw/zinc/94/57/98/204945798.db2.gz AZMPNTOBRRHADJ-AATRIKPKSA-N 0 0 374.340 2.761 50 5 FFBARN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000056288329 205230406 /nfs/dbraw/zinc/23/04/06/205230406.db2.gz HAERJMPRCMINGD-UHFFFAOYSA-N 0 0 369.377 2.977 50 5 FFBARN O=[N+]([O-])c1ccc(CCSc2nnc(N3CCOCC3)s2)cc1 ZINC000058191522 205257511 /nfs/dbraw/zinc/25/75/11/205257511.db2.gz YLUDBRSTZNDVAZ-UHFFFAOYSA-N 0 0 352.441 2.618 50 5 FFBARN Cc1sc(C(=O)N[C@@H](Cn2cncn2)c2ccccc2)cc1[N+](=O)[O-] ZINC000058251429 205267717 /nfs/dbraw/zinc/26/77/17/205267717.db2.gz JRLPOEZMINAASO-ZDUSSCGKSA-N 0 0 357.395 2.728 50 5 FFBARN CCOc1cc([C@H]2OC(c3ccccc3[N+](=O)[O-])=NN2C(C)=O)ccc1O ZINC000064819692 205306217 /nfs/dbraw/zinc/30/62/17/205306217.db2.gz LTSAEAKSVGCHNU-GOSISDBHSA-N 0 0 371.349 2.938 50 5 FFBARN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1CO ZINC000048325602 206083301 /nfs/dbraw/zinc/08/33/01/206083301.db2.gz FGXCEGWYCHRUPY-UHFFFAOYSA-N 0 0 366.395 2.513 50 5 FFBARN O=C(NC[C@@H]1COC2(CCCCC2)O1)c1cc(F)c([N+](=O)[O-])cc1F ZINC000123669938 206115666 /nfs/dbraw/zinc/11/56/66/206115666.db2.gz ZDOSBBAKFWMOKU-SNVBAGLBSA-N 0 0 356.325 2.679 50 5 FFBARN CNC(=O)c1ccccc1Nc1nc2nc3ccccc3c(=O)n2cc1C ZINC000002101341 206153239 /nfs/dbraw/zinc/15/32/39/206153239.db2.gz DTZSFALAHIFJFX-UHFFFAOYSA-N 0 0 359.389 2.654 50 5 biogenic FFBARN O=C(OCc1ccccc1)[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000002869307 206156765 /nfs/dbraw/zinc/15/67/65/206156765.db2.gz ASVJIMXEODKJGS-QGZVFWFLSA-N 0 0 354.362 2.943 50 5 FFBARN O=C(NCC1N=NC(=S)N1c1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000004059208 206166211 /nfs/dbraw/zinc/16/62/11/206166211.db2.gz IBPDGKKSLKMZBC-UHFFFAOYSA-N 0 0 373.369 2.533 50 5 FFBARN O=C(COC(=O)c1ccc(Br)o1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004966582 206186634 /nfs/dbraw/zinc/18/66/34/206186634.db2.gz ABPNIJVMWQGUFX-UHFFFAOYSA-N 0 0 369.127 2.746 50 5 FFBARN O=[N+]([O-])c1cccc(S(=O)(=O)NCCOc2cccc3cccnc32)c1 ZINC000004828669 206180681 /nfs/dbraw/zinc/18/06/81/206180681.db2.gz YUBIBSDMDQFTEU-UHFFFAOYSA-N 0 0 373.390 2.500 50 5 FFBARN O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 ZINC000007842721 206211429 /nfs/dbraw/zinc/21/14/29/206211429.db2.gz BBCCTQCCCQFSKE-AWEZNQCLSA-N 0 0 365.183 2.821 50 5 FFBARN Cc1cccc(NC(=O)CN(C)c2nc3sccn3c2[N+](=O)[O-])c1C ZINC000008337194 206215694 /nfs/dbraw/zinc/21/56/94/206215694.db2.gz XDIDAEMBJNDBPS-UHFFFAOYSA-N 0 0 359.411 2.996 50 5 FFBARN CCCc1cc(=O)[nH]c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1 ZINC000011443230 206284560 /nfs/dbraw/zinc/28/45/60/206284560.db2.gz SDNBWHADIXRMCP-UHFFFAOYSA-N 0 0 362.411 2.670 50 5 FFBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000012750451 206294901 /nfs/dbraw/zinc/29/49/01/206294901.db2.gz OXAKCDXSTHFLAB-NSHDSACASA-N 0 0 367.361 2.654 50 5 FFBARN Cc1ccc(C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000012998585 206298856 /nfs/dbraw/zinc/29/88/56/206298856.db2.gz NYSGUBCWDDWGBP-UHFFFAOYSA-N 0 0 369.421 2.665 50 5 FFBARN CCOc1ccc(C(=O)N2CCC[C@H](c3nc(C)no3)C2)cc1[N+](=O)[O-] ZINC000054663530 206335912 /nfs/dbraw/zinc/33/59/12/206335912.db2.gz DGJPDDPBQLPGSY-ZDUSSCGKSA-N 0 0 360.370 2.705 50 5 FFBARN CN(C)C(=O)C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000058162211 206392287 /nfs/dbraw/zinc/39/22/87/206392287.db2.gz CSLQPGJYODGLOK-MRXNPFEDSA-N 0 0 356.382 2.936 50 5 FFBARN Cc1cc(C(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])on1 ZINC000024483662 206410266 /nfs/dbraw/zinc/41/02/66/206410266.db2.gz QEHNFLXPLPOJSO-CYBMUJFWSA-N 0 0 361.354 2.704 50 5 FFBARN O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000005446047 132258052 /nfs/dbraw/zinc/25/80/52/132258052.db2.gz CZKMMQZXACZXFV-UHFFFAOYSA-N 0 0 372.337 2.592 50 5 FFBARN CC(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000000971851 132379377 /nfs/dbraw/zinc/37/93/77/132379377.db2.gz QACSNUZIQKOCBL-UHFFFAOYSA-N 0 0 368.393 2.516 50 5 FFBARN COC(=O)c1ccc(N2CCN(c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000004054071 132386305 /nfs/dbraw/zinc/38/63/05/132386305.db2.gz ICBDYYDHPSPFJI-UHFFFAOYSA-N 0 0 359.357 2.847 50 5 FFBARN C[C@@H](OCc1ccccc1)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000048261323 136123135 /nfs/dbraw/zinc/12/31/35/136123135.db2.gz WFRZHEHKYQCVJF-MRXNPFEDSA-N 0 0 369.421 2.849 50 5 FFBARN COc1cc([C@@H]2NC(=O)CC[C@H]2[N+](=O)[O-])ccc1OCc1ccccc1 ZINC000000815842 506233348 /nfs/dbraw/zinc/23/33/48/506233348.db2.gz ZCSAVJRPGZHZHC-BEFAXECRSA-N 0 0 356.378 2.871 50 5 FFBARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 ZINC000000845685 506235185 /nfs/dbraw/zinc/23/51/85/506235185.db2.gz JWJKQMQXUBCOON-INIZCTEOSA-N 0 0 352.350 2.861 50 5 FFBARN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000001043348 506246381 /nfs/dbraw/zinc/24/63/81/506246381.db2.gz TYXRHAOAENLYNW-KRWDZBQOSA-N 0 0 367.361 2.590 50 5 FFBARN O=C(c1cccc([N+](=O)[O-])c1)N1NC2=C(CCCC2)[C@]1(O)C(F)(F)F ZINC000001212550 506256803 /nfs/dbraw/zinc/25/68/03/506256803.db2.gz JMNAMCJDPQGZKJ-FZMZJTMJSA-N 0 0 357.288 2.848 50 5 FFBARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000001230375 506257215 /nfs/dbraw/zinc/25/72/15/506257215.db2.gz XZRGUHIHGOBYTH-UHFFFAOYSA-N 0 0 372.333 2.729 50 5 FFBARN O=C(COC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(F)c(F)c1 ZINC000032724190 506284417 /nfs/dbraw/zinc/28/44/17/506284417.db2.gz IEPCLOIDJJCKOX-UHFFFAOYSA-N 0 0 365.244 2.641 50 5 FFBARN COc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccnc2)c([N+](=O)[O-])c1 ZINC000032895762 506307300 /nfs/dbraw/zinc/30/73/00/506307300.db2.gz RFUDXXKSNXOMHX-AWEZNQCLSA-N 0 0 363.395 2.524 50 5 FFBARN Cc1noc(C)c1[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000033086863 506334464 /nfs/dbraw/zinc/33/44/64/506334464.db2.gz PJHICNZVRHATSJ-CQSZACIVSA-N 0 0 351.384 2.725 50 5 FFBARN COc1ccc(C(=O)c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)cc1 ZINC000004575472 506383938 /nfs/dbraw/zinc/38/39/38/506383938.db2.gz PJGNIKBBAUNHNX-UHFFFAOYSA-N 0 0 355.394 2.586 50 5 FFBARN COc1cc([N+](=O)[O-])ccc1NC(=S)N1CCN(c2ccccn2)CC1 ZINC000004999213 506412042 /nfs/dbraw/zinc/41/20/42/506412042.db2.gz GIFJBZSENHYFJU-UHFFFAOYSA-N 0 0 373.438 2.517 50 5 FFBARN COC(=O)c1ccc(C)c(NC(=O)COc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000012599261 506881529 /nfs/dbraw/zinc/88/15/29/506881529.db2.gz QPEIIDFGEQTMOG-UHFFFAOYSA-N 0 0 374.349 2.716 50 5 FFBARN Cc1ccc(Nc2nc(N3C[C@@H](C)O[C@@H](C)C3)nc(N)c2[N+](=O)[O-])cc1C ZINC000013286797 506936325 /nfs/dbraw/zinc/93/63/25/506936325.db2.gz LTTZAUJAACBVAQ-BETUJISGSA-N 0 0 372.429 2.941 50 5 FFBARN Cn1ccnc1[C@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000014401348 506991074 /nfs/dbraw/zinc/99/10/74/506991074.db2.gz WKMMALFAOUUPON-MRXNPFEDSA-N 0 0 369.356 2.569 50 5 FFBARN CC(=O)NC1=NN(C(C)=O)[C@@H](c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S1 ZINC000020895473 507237072 /nfs/dbraw/zinc/23/70/72/507237072.db2.gz OLZYYYWBRODOPN-OAHLLOKOSA-N 0 0 374.378 2.856 50 5 FFBARN CC(C)OC(=O)C[C@@H](NC(=O)C1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000022188920 507282099 /nfs/dbraw/zinc/28/20/99/507282099.db2.gz HKNAQCKBRUDUQB-OAHLLOKOSA-N 0 0 364.398 2.520 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(Cc1ccccc1)C1CC1 ZINC000024443604 507412681 /nfs/dbraw/zinc/41/26/81/507412681.db2.gz DUMPDXBJWDXNMZ-UHFFFAOYSA-N 0 0 362.407 2.957 50 5 FFBARN O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H]1CCN(c2ccccc2)C1 ZINC000024817237 507440275 /nfs/dbraw/zinc/44/02/75/507440275.db2.gz SBYFUUPRYMSLBX-HNNXBMFYSA-N 0 0 355.394 2.616 50 5 FFBARN CCOC(=O)Cc1nnc(Sc2ccc([N+](=O)[O-])c3cccnc23)n1C ZINC000025045398 507461706 /nfs/dbraw/zinc/46/17/06/507461706.db2.gz WOFHALSCIZQLMT-UHFFFAOYSA-N 0 0 373.394 2.528 50 5 FFBARN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1-n1cnnn1 ZINC000031996858 507822961 /nfs/dbraw/zinc/82/29/61/507822961.db2.gz AHWKWKGEQAUOMP-UHFFFAOYSA-N 0 0 358.745 2.785 50 5 FFBARN CCCCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000078876370 507914182 /nfs/dbraw/zinc/91/41/82/507914182.db2.gz WGCDBGTXWYVHHN-UHFFFAOYSA-N 0 0 351.222 2.826 50 5 FFBARN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000079092252 507932431 /nfs/dbraw/zinc/93/24/31/507932431.db2.gz PRNHJEANDYWOCD-CYBMUJFWSA-N 0 0 350.400 2.542 50 5 FFBARN CCOC(=O)[C@@]1(Cc2ccccc2[N+](=O)[O-])c2ccccc2N(C)C1=O ZINC000075283754 508093924 /nfs/dbraw/zinc/09/39/24/508093924.db2.gz KBMZCFGSMYJNBT-IBGZPJMESA-N 0 0 354.362 2.615 50 5 FFBARN COc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000100951555 508240481 /nfs/dbraw/zinc/24/04/81/508240481.db2.gz SRPBHLBPXCGCCV-UHFFFAOYSA-N 0 0 362.254 2.672 50 5 FFBARN COc1cccc(C2=Nc3nnnn3[C@H](c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000101034431 508240710 /nfs/dbraw/zinc/24/07/10/508240710.db2.gz ZPEKGOTWIKTCFG-INIZCTEOSA-N 0 0 350.338 2.646 50 5 FFBARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000047175175 570881419 /nfs/dbraw/zinc/88/14/19/570881419.db2.gz ANZCFXLZUCYXAI-HJCTWCACSA-N 0 0 365.389 2.698 50 5 FFBARN Cn1c(-c2ccc3c(c2)OCO3)cnc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000004678501 571135098 /nfs/dbraw/zinc/13/50/98/571135098.db2.gz VEVYLDHLKQHBRZ-UHFFFAOYSA-N 0 0 366.333 2.976 50 5 FFBARN Cc1nn(CN2CCN(C/C=C/c3ccccc3)CC2)c(C)c1[N+](=O)[O-] ZINC000023701057 962000503 /nfs/dbraw/zinc/00/05/03/962000503.db2.gz UZXXFWAROSLTPZ-RMKNXTFCSA-N 0 0 355.442 2.697 50 5 FFBARN Cc1ccc(NC(=O)/C=C\c2ccccc2[N+](=O)[O-])cc1-n1cnnn1 ZINC000098006650 964281595 /nfs/dbraw/zinc/28/15/95/964281595.db2.gz CLHDKIGLUVLCDU-CLFYSBASSA-N 0 0 350.338 2.531 50 5 FFBARN COc1cccc(NC(=O)COC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c1 ZINC000033579578 990438165 /nfs/dbraw/zinc/43/81/65/990438165.db2.gz VJEBGZSKLHZBTI-YFHOEESVSA-N 0 0 356.334 2.799 50 5 FFBARN Cc1cccc2nc(COC(=O)/C=C\c3cccc([N+](=O)[O-])c3)cc(=O)n12 ZINC000096809785 1012395002 /nfs/dbraw/zinc/39/50/02/1012395002.db2.gz MORJMESZWXIMOM-HJWRWDBZSA-N 0 0 365.345 2.668 50 5 FFBARN Cc1cc(=O)oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc12 ZINC000001916491 204022565 /nfs/dbraw/zinc/02/25/65/204022565.db2.gz VIHLELAYKXYCPQ-UHFFFAOYSA-N 0 0 355.302 2.994 50 5 FFBARN COc1cc([N+](=O)[O-])cc2cc(C(=O)N3CCc4ccccc43)c(=O)oc21 ZINC000002884598 204066638 /nfs/dbraw/zinc/06/66/38/204066638.db2.gz VCAAYNOPVDLDSF-UHFFFAOYSA-N 0 0 366.329 2.913 50 5 FFBARN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)N1CCc2ccccc21 ZINC000003254339 204085828 /nfs/dbraw/zinc/08/58/28/204085828.db2.gz CCGISYOMABHOQU-UHFFFAOYSA-N 0 0 360.753 2.994 50 5 FFBARN Cc1c(C(=O)OCC(=O)c2ccc3c(c2)OCCO3)cccc1[N+](=O)[O-] ZINC000003317331 204091456 /nfs/dbraw/zinc/09/14/56/204091456.db2.gz NZELUMVDMIEGLN-UHFFFAOYSA-N 0 0 357.318 2.714 50 5 FFBARN CNC(=O)NC(=O)CSc1nc2ccccc2c2nc3ccccc3n21 ZINC000003518036 204104882 /nfs/dbraw/zinc/10/48/82/204104882.db2.gz XIOHJDHUWIJBAD-UHFFFAOYSA-N 0 0 365.418 2.583 50 5 FFBARN O=C(Nc1cc2cc([N+](=O)[O-])ccc2oc1=O)c1cccc([N+](=O)[O-])c1 ZINC000004644716 204151744 /nfs/dbraw/zinc/15/17/44/204151744.db2.gz SVFXFDUXOUPMOA-UHFFFAOYSA-N 0 0 355.262 2.862 50 5 FFBARN Cn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccncc1 ZINC000004715620 204157931 /nfs/dbraw/zinc/15/79/31/204157931.db2.gz FMVOGTQSGAENHH-UHFFFAOYSA-N 0 0 370.394 2.516 50 5 FFBARN O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000004732002 204159191 /nfs/dbraw/zinc/15/91/91/204159191.db2.gz YROVNUQGPJIEJV-SNVBAGLBSA-N 0 0 361.304 2.865 50 5 FFBARN O=[N+]([O-])c1ccc(NNS(=O)(=O)c2cc(Cl)ccc2Cl)nc1 ZINC000004419298 204138839 /nfs/dbraw/zinc/13/88/39/204138839.db2.gz XFLBUWGBNRNFRL-UHFFFAOYSA-N 0 0 363.182 2.602 50 5 FFBARN Cc1cccc(-n2nc([N+](=O)[O-])c(NCc3ccccc3Cl)[n+]2[O-])c1 ZINC000004922676 204176853 /nfs/dbraw/zinc/17/68/53/204176853.db2.gz QMGULWIEKCSDLF-UHFFFAOYSA-N 0 0 359.773 2.988 50 5 FFBARN O=[N+]([O-])c1ccc(NCCNS(=O)(=O)Cc2ccccc2)c(Cl)c1 ZINC000004989944 204183859 /nfs/dbraw/zinc/18/38/59/204183859.db2.gz IFULSZZVFFZUKM-UHFFFAOYSA-N 0 0 369.830 2.780 50 5 FFBARN CCOc1ccc(N2C[C@H](C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2=O)cc1 ZINC000005028136 204185882 /nfs/dbraw/zinc/18/58/82/204185882.db2.gz UKCLBBXGBLYMRR-CYBMUJFWSA-N 0 0 369.377 2.985 50 5 FFBARN O=[N+]([O-])c1ccc(NC(=S)NNC(=S)NC2CCCCC2)cc1 ZINC000005041751 204186969 /nfs/dbraw/zinc/18/69/69/204186969.db2.gz BLAHWRZURKUQMJ-UHFFFAOYSA-N 0 0 353.473 2.593 50 5 FFBARN COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cccc([N+](=O)[O-])c2)c1C ZINC000005058970 204189180 /nfs/dbraw/zinc/18/91/80/204189180.db2.gz HEMKOUYWJQUOGZ-LLVKDONJSA-N 0 0 374.349 2.755 50 5 FFBARN COc1cc(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc(OC)c1 ZINC000007979869 204312339 /nfs/dbraw/zinc/31/23/39/204312339.db2.gz ZDYVDIRIYFKNJX-UHFFFAOYSA-N 0 0 352.368 2.759 50 5 FFBARN O=C(COc1ccccc1[N+](=O)[O-])OCc1ccc(-n2cccn2)cc1 ZINC000008524851 204333385 /nfs/dbraw/zinc/33/33/85/204333385.db2.gz UBLVOZOMZMTVHH-UHFFFAOYSA-N 0 0 353.334 2.903 50 5 FFBARN COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)OC(=O)c1cccs1 ZINC000007533827 204300298 /nfs/dbraw/zinc/30/02/98/204300298.db2.gz IBTCJZRIFZGDLN-VIFPVBQESA-N 0 0 350.352 2.849 50 5 FFBARN Cn1ccnc1[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000009364369 204364774 /nfs/dbraw/zinc/36/47/74/204364774.db2.gz FQDLXRATLNOAHO-MRXNPFEDSA-N 0 0 354.341 2.987 50 5 FFBARN O=[N+]([O-])c1ccc2c(c1)nc(CN1CCOCC1)n2-c1ccc(F)cc1 ZINC000023994894 204813646 /nfs/dbraw/zinc/81/36/46/204813646.db2.gz SYRBWEWGXMWWJR-UHFFFAOYSA-N 0 0 356.357 2.905 50 5 FFBARN C[C@H](OC(=O)c1ccccc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)OCO2 ZINC000035567870 204994872 /nfs/dbraw/zinc/99/48/72/204994872.db2.gz AJJUHIJGIUUFOI-JTQLQIEISA-N 0 0 358.306 2.508 50 5 FFBARN Nn1ccc2nc3ccn(-c4cc(Cl)cc(Cl)c4)c(=O)c3cc2c1=O ZINC000040398697 205069010 /nfs/dbraw/zinc/06/90/10/205069010.db2.gz RPYHANRPCDJCSR-UHFFFAOYSA-N 0 0 373.199 2.721 50 5 FFBARN O=C(NCCNc1ccccc1[N+](=O)[O-])N[C@H]1CCOc2ccccc21 ZINC000043165949 205101657 /nfs/dbraw/zinc/10/16/57/205101657.db2.gz JCIQATCQKONCBB-AWEZNQCLSA-N 0 0 356.382 2.830 50 5 FFBARN CC(=O)Nc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)ccc1C ZINC000055615305 205221102 /nfs/dbraw/zinc/22/11/02/205221102.db2.gz DXJXAEVXDCQASU-UHFFFAOYSA-N 0 0 363.395 2.971 50 5 FFBARN Cc1nnc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)n1C ZINC000058306718 205270111 /nfs/dbraw/zinc/27/01/11/205270111.db2.gz CJNZJOPFXWNLNV-INIZCTEOSA-N 0 0 351.366 2.551 50 5 FFBARN O=C(NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)Nc1cccc([N+](=O)[O-])c1 ZINC000095442631 205754699 /nfs/dbraw/zinc/75/46/99/205754699.db2.gz GVKCFKZWCYJIHX-HNNXBMFYSA-N 0 0 368.393 2.765 50 5 FFBARN O=C(c1ccccc1[N+](=O)[O-])N1C(=S)N=NC1c1ccccc1[N+](=O)[O-] ZINC000001785207 206151188 /nfs/dbraw/zinc/15/11/88/206151188.db2.gz SXVYXDFLYAYYAW-UHFFFAOYSA-N 0 0 371.334 2.739 50 5 FFBARN O=C(OCc1ccccc1[N+](=O)[O-])c1ccc(N2C(=O)CCC2=O)cc1 ZINC000004351470 206176598 /nfs/dbraw/zinc/17/65/98/206176598.db2.gz ZYIKIKSOAVQSQP-UHFFFAOYSA-N 0 0 354.318 2.605 50 5 FFBARN O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004496296 206177647 /nfs/dbraw/zinc/17/76/47/206177647.db2.gz ZXTOSTUAKITJLN-UHFFFAOYSA-N 0 0 352.343 2.536 50 5 FFBARN Cc1ccc(N2C[C@H](NC(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1C ZINC000004497025 206177938 /nfs/dbraw/zinc/17/79/38/206177938.db2.gz KQNBSGUPOVXELS-OAHLLOKOSA-N 0 0 353.378 2.747 50 5 FFBARN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CCCc2ccccc21 ZINC000007920510 206211067 /nfs/dbraw/zinc/21/10/67/206211067.db2.gz NTWRHRUGRLJIEB-KRWDZBQOSA-N 0 0 353.378 2.518 50 5 FFBARN Cc1cccc(NC(=O)CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1C ZINC000012814035 206296550 /nfs/dbraw/zinc/29/65/50/206296550.db2.gz MLDVVCHMSWBXBU-DHZHZOJOSA-N 0 0 353.378 2.980 50 5 FFBARN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000023057679 206398583 /nfs/dbraw/zinc/39/85/83/206398583.db2.gz OUVUVGOOYBYVAA-IAGOWNOFSA-N 0 0 374.485 2.674 50 5 FFBARN Nc1nccc([C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)n1 ZINC000253410478 206582126 /nfs/dbraw/zinc/58/21/26/206582126.db2.gz AQOQUDLSXFPKCS-SNVBAGLBSA-N 0 0 361.789 2.640 50 5 FFBARN O=[N+]([O-])c1ccc(NCCNS(=O)(=O)c2ccccc2)c2ncccc12 ZINC000032760698 220677050 /nfs/dbraw/zinc/67/70/50/220677050.db2.gz YAOCWXVVNXPLHP-UHFFFAOYSA-N 0 0 372.406 2.533 50 5 FFBARN O=[N+]([O-])c1ccc(N2CCN(c3ccc(C(F)(F)F)nn3)CC2)cc1 ZINC000089788219 132200396 /nfs/dbraw/zinc/20/03/96/132200396.db2.gz MQRFMANMIYOXIF-UHFFFAOYSA-N 0 0 353.304 2.730 50 5 FFBARN O=[N+]([O-])c1ccc(N2CCN(c3c(F)c(F)nc(F)c3F)CC2)cc1 ZINC000004329478 132386859 /nfs/dbraw/zinc/38/68/59/132386859.db2.gz HFWAXJGJPKAOGL-UHFFFAOYSA-N 0 0 356.279 2.873 50 5 FFBARN C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)OC(C)(C)OC3=O)[C@@H]2C1 ZINC000005425024 132828322 /nfs/dbraw/zinc/82/83/22/132828322.db2.gz ACHWJVLPCCQNFU-ABAIWWIYSA-N 0 0 374.393 2.578 50 5 FFBARN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)cc1 ZINC000033447971 132933055 /nfs/dbraw/zinc/93/30/55/132933055.db2.gz DCAJIQOBDLQMJU-GDNBJRDFSA-N 0 0 373.434 2.718 50 5 FFBARN COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000000833035 506235808 /nfs/dbraw/zinc/23/58/08/506235808.db2.gz FYQDPZXRMZZOCL-OAHLLOKOSA-N 0 0 357.322 2.656 50 5 FFBARN CS(=O)(=O)c1ccc(SCC(=O)OC2CCCCC2)c([N+](=O)[O-])c1 ZINC000000957044 506242502 /nfs/dbraw/zinc/24/25/02/506242502.db2.gz PVIOCDHJGLZBLG-UHFFFAOYSA-N 0 0 373.452 2.966 50 5 FFBARN Cc1ccc(OCC(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2F)cc1 ZINC000001172624 506252556 /nfs/dbraw/zinc/25/25/56/506252556.db2.gz QGEOFPRJKSLSJK-UHFFFAOYSA-N 0 0 363.370 2.934 50 5 FFBARN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(C(=O)N(C)C)CC1 ZINC000032753424 506290260 /nfs/dbraw/zinc/29/02/60/506290260.db2.gz DUTXEASAYWFFQV-LBPRGKRZSA-N 0 0 373.413 2.506 50 5 FFBARN CCOC(=O)Cc1csc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)n1 ZINC000004078846 506357523 /nfs/dbraw/zinc/35/75/23/506357523.db2.gz SDEQDXYLHVWREV-VMPITWQZSA-N 0 0 361.379 2.809 50 5 FFBARN O=C(c1cc([N+](=O)[O-])ccc1N1CCc2ccccc2C1)N1CCOCC1 ZINC000004140380 506360241 /nfs/dbraw/zinc/36/02/41/506360241.db2.gz UZSUSNRLJMMDII-UHFFFAOYSA-N 0 0 367.405 2.630 50 5 FFBARN O=C(Nc1ccc(F)cc1F)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000004865896 506400879 /nfs/dbraw/zinc/40/08/79/506400879.db2.gz CZHQGRKQMMBGNU-UHFFFAOYSA-N 0 0 363.320 2.962 50 5 FFBARN CSc1ncccc1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000011464715 506776342 /nfs/dbraw/zinc/77/63/42/506776342.db2.gz TWUILRZONFJRLG-SNVBAGLBSA-N 0 0 361.379 2.896 50 5 FFBARN CC(=O)c1cccc(NC(=O)COC(=O)C=Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000012569755 506879424 /nfs/dbraw/zinc/87/94/24/506879424.db2.gz GKOSVISCGICGMB-JXMROGBWSA-N 0 0 368.345 2.993 50 5 FFBARN C[C@@H]1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000013115823 506928908 /nfs/dbraw/zinc/92/89/08/506928908.db2.gz FOAHQAYQBIMCRI-DTORHVGOSA-N 0 0 368.333 2.502 50 5 FFBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(C(C)C)[nH]1 ZINC000013143752 506930048 /nfs/dbraw/zinc/93/00/48/506930048.db2.gz NPBPUOZRGIHVOB-UHFFFAOYSA-N 0 0 351.388 2.576 50 5 FFBARN COc1cc(C(=O)Nc2ncc(C)s2)c([N+](=O)[O-])c(OC)c1OC ZINC000014016867 506962160 /nfs/dbraw/zinc/96/21/60/506962160.db2.gz CPBWLZBLFZWASJ-UHFFFAOYSA-N 0 0 353.356 2.638 50 5 FFBARN O=C(Nc1ccc2c(c1)OCO2)C1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000015117475 507021861 /nfs/dbraw/zinc/02/18/61/507021861.db2.gz CFUXACHIWAFEDP-UHFFFAOYSA-N 0 0 370.365 2.574 50 5 FFBARN C[C@H](OC(=O)[C@@H]1COc2ccccc2C1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000016293432 507080882 /nfs/dbraw/zinc/08/08/82/507080882.db2.gz STDQQYVZASSCNS-JSGCOSHPSA-N 0 0 370.361 2.716 50 5 FFBARN C[C@H](OC(=O)[C@H]1COc2ccccc2C1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000016293437 507081052 /nfs/dbraw/zinc/08/10/52/507081052.db2.gz STDQQYVZASSCNS-GXTWGEPZSA-N 0 0 370.361 2.716 50 5 FFBARN CN(CCOc1ccccc1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000018072945 507136074 /nfs/dbraw/zinc/13/60/74/507136074.db2.gz DVMUBRQRMQIQER-UHFFFAOYSA-N 0 0 358.350 2.517 50 5 FFBARN COc1ccc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000019555337 507178951 /nfs/dbraw/zinc/17/89/51/507178951.db2.gz JPQIOJOHCXMWRX-UHFFFAOYSA-N 0 0 355.394 2.561 50 5 FFBARN Cc1c(Cl)c([N+](=O)[O-])cc([N+](=O)[O-])c1NCCCN1CCOCC1 ZINC000019857346 507204168 /nfs/dbraw/zinc/20/41/68/507204168.db2.gz XWPCNLVACVSODG-UHFFFAOYSA-N 0 0 358.782 2.599 50 5 FFBARN COc1cccc(-c2n[nH]c3c2[C@@H](c2ccccc2[N+](=O)[O-])NC3=O)c1 ZINC000020213036 507214687 /nfs/dbraw/zinc/21/46/87/507214687.db2.gz VNVXJEJTZLNZSL-MRXNPFEDSA-N 0 0 350.334 2.826 50 5 FFBARN O=C(c1cc(-c2ccco2)n[nH]1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000020531688 507225588 /nfs/dbraw/zinc/22/55/88/507225588.db2.gz TXNTUQRFPIQDNV-UHFFFAOYSA-N 0 0 367.365 2.540 50 5 FFBARN Cc1cc([N+](=O)[O-])nn1CCc1nn2c(nnc2-c2cccs2)s1 ZINC000020606492 507228033 /nfs/dbraw/zinc/22/80/33/507228033.db2.gz WUVGFBJGKMICID-UHFFFAOYSA-N 0 0 361.412 2.570 50 5 FFBARN CC(=O)N1N=C(c2ccccc2[N+](=O)[O-])O[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000020946042 507240222 /nfs/dbraw/zinc/24/02/22/507240222.db2.gz FJZQDWPVUZEAMP-MRXNPFEDSA-N 0 0 356.294 2.742 50 5 FFBARN COc1cc2c(cc1OC)[C@@H](c1cc(OC)c(OC)cc1[N+](=O)[O-])NCC2 ZINC000022204806 507282260 /nfs/dbraw/zinc/28/22/60/507282260.db2.gz BPZRORNUZRKVSV-IBGZPJMESA-N 0 0 374.393 2.864 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)Cc1ccc(F)cc1F ZINC000024441331 507411617 /nfs/dbraw/zinc/41/16/17/507411617.db2.gz HWEITPSXWQFAEQ-UHFFFAOYSA-N 0 0 372.349 2.702 50 5 FFBARN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@H]1C(=O)Nc1ccccc1 ZINC000024985686 507454715 /nfs/dbraw/zinc/45/47/15/507454715.db2.gz ZWAYUXDQYJEXQQ-KRWDZBQOSA-N 0 0 353.378 2.767 50 5 FFBARN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@H]1c1nnc2ccccn21 ZINC000029074952 507756626 /nfs/dbraw/zinc/75/66/26/507756626.db2.gz DIKDMTLFRUDALH-HNNXBMFYSA-N 0 0 351.366 2.544 50 5 FFBARN CN(C)C(=O)COc1ccc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000029230494 507770687 /nfs/dbraw/zinc/77/06/87/507770687.db2.gz SZBIECKSHXHRKS-KPKJPENVSA-N 0 0 369.377 2.714 50 5 FFBARN O=C(CN1CCO[C@H](c2ccc(F)cc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000029537939 507782378 /nfs/dbraw/zinc/78/23/78/507782378.db2.gz RKIUHLJQCGPOCZ-KRWDZBQOSA-N 0 0 359.357 2.746 50 5 FFBARN Cc1cc(Br)ccc1NCCn1cc([N+](=O)[O-])ccc1=O ZINC000095445290 508185786 /nfs/dbraw/zinc/18/57/86/508185786.db2.gz IMOAPCYJRDJNON-UHFFFAOYSA-N 0 0 352.188 2.940 50 5 FFBARN Cn1cc(CCOC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC000095959804 508200165 /nfs/dbraw/zinc/20/01/65/508200165.db2.gz SBXQVHTVHHCYMZ-UHFFFAOYSA-N 0 0 358.379 2.851 50 5 FFBARN O=C(CCc1ccccc1)NCCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000096277207 508212981 /nfs/dbraw/zinc/21/29/81/508212981.db2.gz JYBVNDCRGJLVCX-UHFFFAOYSA-N 0 0 366.377 2.936 50 5 FFBARN COC(=O)CCc1nnc(NCc2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC000170607198 509678211 /nfs/dbraw/zinc/67/82/11/509678211.db2.gz GYPNRFQSCSTADM-UHFFFAOYSA-N 0 0 356.791 2.817 50 5 FFBARN Cn1ccnc1C(=O)c1ccc(NC2(CCO)CCCC2)c([N+](=O)[O-])c1 ZINC000253428289 509883155 /nfs/dbraw/zinc/88/31/55/509883155.db2.gz IZKBKAQOVOHYTL-UHFFFAOYSA-N 0 0 358.398 2.666 50 5 FFBARN Cc1ccc(C(=O)COC(=O)c2cc(=O)[nH]c3ccccc32)cc1[N+](=O)[O-] ZINC000008842879 526048228 /nfs/dbraw/zinc/04/82/28/526048228.db2.gz XPKVJGLLQKSSSY-UHFFFAOYSA-N 0 0 366.329 2.784 50 5 FFBARN O=C(OCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCN1C(=O)c1cccnc1 ZINC000084422039 571085378 /nfs/dbraw/zinc/08/53/78/571085378.db2.gz ZPZYFPTVLNXJMC-QGZVFWFLSA-N 0 0 369.377 2.728 50 5 FFBARN O=C1C[C@H](c2ccccc2[N+](=O)[O-])c2c(=O)[nH]c(N3CCCCC3)nc2N1 ZINC000670416095 571336697 /nfs/dbraw/zinc/33/66/97/571336697.db2.gz KHSCQLKHNBRXRX-GFCCVEGCSA-N 0 0 369.381 2.555 50 5 FFBARN O=C(Oc1ccccc1C(=S)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000000866320 203959433 /nfs/dbraw/zinc/95/94/33/203959433.db2.gz IBISNWSJGIZYHI-UHFFFAOYSA-N 0 0 372.402 2.822 50 5 FFBARN COc1ccc(OC)c(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000000878031 203959899 /nfs/dbraw/zinc/95/98/99/203959899.db2.gz KWWMKDWXBRSFEJ-UHFFFAOYSA-N 0 0 361.379 2.739 50 5 FFBARN CCOC(=O)Cn1nc(C)c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1C ZINC000001426755 204005584 /nfs/dbraw/zinc/00/55/84/204005584.db2.gz OOARRHHHGGLYMT-UHFFFAOYSA-N 0 0 360.370 2.532 50 5 FFBARN Cn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1cccnc1 ZINC000002911397 204067562 /nfs/dbraw/zinc/06/75/62/204067562.db2.gz IAVLHPRXNKBUAO-UHFFFAOYSA-N 0 0 370.394 2.516 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1C1=N/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)O1 ZINC000002930651 204069349 /nfs/dbraw/zinc/06/93/49/204069349.db2.gz KQMLNSFIZGBRRJ-RIYZIHGNSA-N 0 0 369.289 2.856 50 5 FFBARN COC(=O)c1ccc(SCC(=O)NC2CCCCC2)c([N+](=O)[O-])c1 ZINC000003032001 204074074 /nfs/dbraw/zinc/07/40/74/204074074.db2.gz RULRIFKPXKSRTF-UHFFFAOYSA-N 0 0 352.412 2.922 50 5 FFBARN Cc1cc([N+](=O)[O-])nn1CCc1nc2c3c(C)c(C)sc3ncn2n1 ZINC000002808455 204059396 /nfs/dbraw/zinc/05/93/96/204059396.db2.gz HYDQMRGOUXICLA-UHFFFAOYSA-N 0 0 357.399 2.612 50 5 FFBARN O=C(NC[C@H]1CCCO1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000002843662 204062178 /nfs/dbraw/zinc/06/21/78/204062178.db2.gz FMMQTKGJDMMCJJ-QGZVFWFLSA-N 0 0 369.377 2.756 50 5 FFBARN COCCNC(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000002855890 204063121 /nfs/dbraw/zinc/06/31/21/204063121.db2.gz DCGBNHAKSOYYPU-UHFFFAOYSA-N 0 0 357.366 2.532 50 5 FFBARN Cc1ccc(S(=O)(=O)NCCOc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000004012967 204118658 /nfs/dbraw/zinc/11/86/58/204118658.db2.gz CPANCVYKQQCIIG-UHFFFAOYSA-N 0 0 370.814 2.914 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1ccc2c(c1)OCO2 ZINC000003385740 204096060 /nfs/dbraw/zinc/09/60/60/204096060.db2.gz DEHPEAZJRPMAHS-SNVBAGLBSA-N 0 0 359.338 2.771 50 5 FFBARN Cc1ccc(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1Cl ZINC000003608613 204108904 /nfs/dbraw/zinc/10/89/04/204108904.db2.gz HXAKIHFZKRLCNR-UHFFFAOYSA-N 0 0 373.752 2.791 50 5 FFBARN CC(=O)Nc1ccc(NC=C2N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1 ZINC000004590679 204149819 /nfs/dbraw/zinc/14/98/19/204149819.db2.gz WKROUHUGBSUMLD-MHWRWJLKSA-N 0 0 366.333 2.810 50 5 FFBARN Cc1cc([N+](=O)[O-])nn1CCCc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000004753329 204162228 /nfs/dbraw/zinc/16/22/28/204162228.db2.gz USTVDOVRTKBVQQ-UHFFFAOYSA-N 0 0 357.326 2.511 50 5 FFBARN CN1C2=C(C(=O)N(c3cccc([N+](=O)[O-])c3)C2)[C@@H](c2ccccc2)NC1=O ZINC000004776431 204162970 /nfs/dbraw/zinc/16/29/70/204162970.db2.gz AHXNEKPTTGPJSV-QGZVFWFLSA-N 0 0 364.361 2.592 50 5 FFBARN COc1ccc(-n2nc([N+](=O)[O-])c(N[C@H](C)c3ccccc3)[n+]2[O-])cc1 ZINC000004826620 204166846 /nfs/dbraw/zinc/16/68/46/204166846.db2.gz JJFAVSFXVHZLIA-GFCCVEGCSA-N 0 0 355.354 2.596 50 5 FFBARN Cc1ccc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)c([N+](=O)[O-])c1 ZINC000004828580 204167279 /nfs/dbraw/zinc/16/72/79/204167279.db2.gz ZOHKFPGYJVMAQK-UHFFFAOYSA-N 0 0 367.361 2.918 50 5 FFBARN O=C(CSc1nncn1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004835262 204167815 /nfs/dbraw/zinc/16/78/15/204167815.db2.gz XGWPGWZRVRPNNA-UHFFFAOYSA-N 0 0 355.379 2.906 50 5 FFBARN O=[N+]([O-])c1cc([N+](=O)[O-])c(NC[C@H]2CCCO2)cc1NC[C@H]1CCCO1 ZINC000004406391 204139063 /nfs/dbraw/zinc/13/90/63/204139063.db2.gz JMDYGVBOORMJTR-VXGBXAGGSA-N 0 0 366.374 2.685 50 5 FFBARN Cc1nn(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(C)c1[N+](=O)[O-] ZINC000005360620 204204485 /nfs/dbraw/zinc/20/44/85/204204485.db2.gz JIJDHKURGRGIAT-UHFFFAOYSA-N 0 0 353.722 2.608 50 5 FFBARN O=[N+]([O-])c1nn(-c2ccccc2)[n+]([O-])c1NCCc1ccc(Cl)cc1 ZINC000004971311 204180564 /nfs/dbraw/zinc/18/05/64/204180564.db2.gz ZLRULBVLFBHYER-UHFFFAOYSA-N 0 0 359.773 2.722 50 5 FFBARN COc1ccc(S(=O)(=O)NCCc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000005126904 204192536 /nfs/dbraw/zinc/19/25/36/204192536.db2.gz YCJBHVHUHDRXFL-UHFFFAOYSA-N 0 0 370.814 2.778 50 5 FFBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NNC(=S)NC[C@@H]1CCCO1 ZINC000007155940 204290341 /nfs/dbraw/zinc/29/03/41/204290341.db2.gz ZJNGKOYHAZIKAJ-VIFPVBQESA-N 0 0 364.349 2.584 50 5 FFBARN CNc1ncnc2c1C(c1ccc([N+](=O)[O-])cc1)c1c(NC)ncnc1O2 ZINC000006792617 204270728 /nfs/dbraw/zinc/27/07/28/204270728.db2.gz GKPQFCTYAAVHGE-UHFFFAOYSA-N 0 0 365.353 2.544 50 5 FFBARN O=C(Cc1c(F)cccc1Cl)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000007842742 204309245 /nfs/dbraw/zinc/30/92/45/204309245.db2.gz CBEVFTVCOHLHSL-OAHLLOKOSA-N 0 0 352.749 2.780 50 5 FFBARN O=C(OCc1nnc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CC1(Cl)Cl ZINC000007985767 204312345 /nfs/dbraw/zinc/31/23/45/204312345.db2.gz UUZQEJJBOIPIFG-SECBINFHSA-N 0 0 358.137 2.882 50 5 FFBARN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1cc(Cl)c2c(c1)OCCO2 ZINC000008325371 204326807 /nfs/dbraw/zinc/32/68/07/204326807.db2.gz KFYMTPRQIZAOJA-UHFFFAOYSA-N 0 0 374.736 2.816 50 5 FFBARN COc1ccc(N2C[C@@H](C(=O)Nc3cc([N+](=O)[O-])ccc3F)CC2=O)cc1 ZINC000008473894 204331966 /nfs/dbraw/zinc/33/19/66/204331966.db2.gz JRTGVQWMQUNIMO-NSHDSACASA-N 0 0 373.340 2.734 50 5 FFBARN Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccnn2C(C)C)ccc1[N+](=O)[O-] ZINC000007529961 204300690 /nfs/dbraw/zinc/30/06/90/204300690.db2.gz AUELXHKSYINYSZ-GFCCVEGCSA-N 0 0 360.370 2.865 50 5 FFBARN Cc1nn(CC(=O)N2CCS[C@@H]2c2ccccc2F)c(C)c1[N+](=O)[O-] ZINC000008848765 204347917 /nfs/dbraw/zinc/34/79/17/204347917.db2.gz ACNYENOHEAVMSB-MRXNPFEDSA-N 0 0 364.402 2.821 50 5 FFBARN C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2cccc(F)c2F)C1=O ZINC000009048855 204353450 /nfs/dbraw/zinc/35/34/50/204353450.db2.gz SSQFDXHYPYGAIE-QGZVFWFLSA-N 0 0 361.304 2.840 50 5 FFBARN CSc1ccc(C(=O)NCCCOC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000009155405 204355067 /nfs/dbraw/zinc/35/50/67/204355067.db2.gz QYISAXJKOXWTFJ-ZDUSSCGKSA-N 0 0 354.428 2.632 50 5 FFBARN O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)NC12CC3CC(CC(C3)C1)C2 ZINC000009690082 204378028 /nfs/dbraw/zinc/37/80/28/204378028.db2.gz VDCCPEBTPNQWNJ-UHFFFAOYSA-N 0 0 371.393 2.588 50 5 FFBARN Cc1cccc(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)n1 ZINC000009221251 204358350 /nfs/dbraw/zinc/35/83/50/204358350.db2.gz XLNDIAWPJZFRLM-UHFFFAOYSA-N 0 0 356.338 2.625 50 5 FFBARN Cc1nn(CC(=O)Nc2ccccc2OC(F)(F)F)c(C)c1[N+](=O)[O-] ZINC000009951890 204387701 /nfs/dbraw/zinc/38/77/01/204387701.db2.gz WVWWAAKEMZWPFW-UHFFFAOYSA-N 0 0 358.276 2.945 50 5 FFBARN Cc1cc(NC(=O)Cn2cnc3ccsc3c2=O)c([N+](=O)[O-])cc1C ZINC000012749841 204490046 /nfs/dbraw/zinc/49/00/46/204490046.db2.gz BJRGJELOZBHUPJ-UHFFFAOYSA-N 0 0 358.379 2.622 50 5 FFBARN O=C(NCc1nnc2ccc(C(F)(F)F)cn21)c1cccc([N+](=O)[O-])c1 ZINC000012891724 204506109 /nfs/dbraw/zinc/50/61/09/204506109.db2.gz WKZSMESQNOLDQU-UHFFFAOYSA-N 0 0 365.271 2.586 50 5 FFBARN CN(C[C@@H]1COc2ccccc2O1)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000012931904 204511742 /nfs/dbraw/zinc/51/17/42/204511742.db2.gz FDZBDACBEDEXMY-AUECHBEKSA-N 0 0 354.362 2.906 50 5 FFBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000014244529 204577579 /nfs/dbraw/zinc/57/75/79/204577579.db2.gz VPWPYODOZMHJJG-HNNXBMFYSA-N 0 0 353.378 2.890 50 5 FFBARN Cc1ccccc1OCCN(C)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000015142672 204605956 /nfs/dbraw/zinc/60/59/56/204605956.db2.gz COMJSPDIOBMCHE-UHFFFAOYSA-N 0 0 364.423 2.822 50 5 FFBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@H]1CCCN(C(=O)N(C)C)C1 ZINC000040092180 204878202 /nfs/dbraw/zinc/87/82/02/204878202.db2.gz ZPVVOOIHZKMFJJ-HIFRSBDPSA-N 0 0 362.430 2.508 50 5 FFBARN CN(C)[C@H](c1nnnn1-c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000036062155 205001601 /nfs/dbraw/zinc/00/16/01/205001601.db2.gz OAISGSZIIBEPRP-HNNXBMFYSA-N 0 0 358.789 2.875 50 5 FFBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000040073851 205052449 /nfs/dbraw/zinc/05/24/49/205052449.db2.gz OFTDOLLULFXALW-ZYHUDNBSSA-N 0 0 373.331 2.525 50 5 FFBARN O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000048331443 205158238 /nfs/dbraw/zinc/15/82/38/205158238.db2.gz JKLXBYNPXNNMMT-ROUUACIJSA-N 0 0 362.389 2.821 50 5 FFBARN O=[N+]([O-])c1ccc(-c2ncn(C[C@H](O)COCc3ccccc3F)n2)cc1 ZINC000046060850 205131260 /nfs/dbraw/zinc/13/12/60/205131260.db2.gz UPOBJOCLFMGDAQ-INIZCTEOSA-N 0 0 372.356 2.570 50 5 FFBARN COC(=O)c1cc([N+](=O)[O-])cn(Cc2ccc(Cl)c3cccnc23)c1=O ZINC000048374367 205162358 /nfs/dbraw/zinc/16/23/58/205162358.db2.gz TZFJGVGEWRKCFH-UHFFFAOYSA-N 0 0 373.752 2.793 50 5 FFBARN COc1ccccc1C1(CNC(=O)c2ccc([N+](=O)[O-])o2)CCOCC1 ZINC000049411594 205171854 /nfs/dbraw/zinc/17/18/54/205171854.db2.gz CYNJEYNLQHLKOI-UHFFFAOYSA-N 0 0 360.366 2.675 50 5 FFBARN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCC(=O)Nc1ccccn1 ZINC000052968084 205188251 /nfs/dbraw/zinc/18/82/51/205188251.db2.gz UEUZKFSEBNJZRL-LBPRGKRZSA-N 0 0 374.422 2.615 50 5 FFBARN COc1cc2c(cc1OC)C(=O)N[C@H](c1cc([N+](=O)[O-])c(F)cc1F)N2 ZINC000063775087 205294443 /nfs/dbraw/zinc/29/44/43/205294443.db2.gz KHNHUOFUSRZQCM-OAHLLOKOSA-N 0 0 365.292 2.744 50 5 FFBARN CCn1c(Sc2c([N+](=O)[O-])ncn2C)nnc1-c1ccccc1OC ZINC000058458108 205275351 /nfs/dbraw/zinc/27/53/51/205275351.db2.gz ORAZGYYDWMGMID-UHFFFAOYSA-N 0 0 360.399 2.767 50 5 FFBARN CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)O[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000064819734 205306367 /nfs/dbraw/zinc/30/63/67/205306367.db2.gz YWYMIVNXFHHKGP-MRXNPFEDSA-N 0 0 356.294 2.742 50 5 FFBARN C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](c2ccccc2)O1 ZINC000067879357 205399669 /nfs/dbraw/zinc/39/96/69/205399669.db2.gz UHSCZITXVCPKMP-SUMWQHHRSA-N 0 0 362.407 2.746 50 5 FFBARN CCn1ccc(=O)c(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 ZINC000135287195 206128601 /nfs/dbraw/zinc/12/86/01/206128601.db2.gz NUDRNGVPKSHYED-UHFFFAOYSA-N 0 0 373.412 2.975 50 5 FFBARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000754076 206132256 /nfs/dbraw/zinc/13/22/56/206132256.db2.gz DCMPATFEQUAXMJ-UHFFFAOYSA-N 0 0 360.322 2.651 50 5 FFBARN Cc1cc(OC(=O)c2ccccc2Br)c([N+](=O)[O-])c(=O)[nH]1 ZINC000004248363 206172359 /nfs/dbraw/zinc/17/23/59/206172359.db2.gz CHADLJZHBICJKC-UHFFFAOYSA-N 0 0 353.128 2.573 50 5 FFBARN NC(=O)COC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000003460978 206162818 /nfs/dbraw/zinc/16/28/18/206162818.db2.gz QWYGHCKGAAJMOP-UHFFFAOYSA-N 0 0 350.714 2.683 50 5 FFBARN Cc1cc2cc(CNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc2n1C ZINC000004061596 206166355 /nfs/dbraw/zinc/16/63/55/206166355.db2.gz NHCHBLNLPCWAIT-UHFFFAOYSA-N 0 0 359.407 2.873 50 5 FFBARN COCc1ccc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000005085994 206188800 /nfs/dbraw/zinc/18/88/00/206188800.db2.gz ISMGPWBBQNWLAK-UHFFFAOYSA-N 0 0 374.349 2.545 50 5 FFBARN CCNc1ccc(C(=O)OCC(=O)NCCc2ccccc2)cc1[N+](=O)[O-] ZINC000005692596 206198269 /nfs/dbraw/zinc/19/82/69/206198269.db2.gz HCCDOMMCNPGMAZ-UHFFFAOYSA-N 0 0 371.393 2.542 50 5 FFBARN Cc1ccc(NC(=O)CCn2ncc(=O)c3ccccc32)cc1[N+](=O)[O-] ZINC000052930302 206222711 /nfs/dbraw/zinc/22/27/11/206222711.db2.gz AGENBYOITUAJPC-UHFFFAOYSA-N 0 0 352.350 2.642 50 5 FFBARN CCOC(=O)[C@H]1CCCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000104810595 206233411 /nfs/dbraw/zinc/23/34/11/206233411.db2.gz XZLSFBUSSPXDLM-OCCSQVGLSA-N 0 0 374.397 2.981 50 5 FFBARN COc1ccc(C(=O)NC(=S)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000004663733 206237603 /nfs/dbraw/zinc/23/76/03/206237603.db2.gz QAEPRMCWMSPOGH-UHFFFAOYSA-N 0 0 361.379 2.739 50 5 FFBARN C[C@H](CCc1ccccc1)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000012921291 206299070 /nfs/dbraw/zinc/29/90/70/206299070.db2.gz SJEHYWSJWFOGOQ-CQSZACIVSA-N 0 0 365.393 2.927 50 5 FFBARN NC(=O)c1ccc(COC(=O)c2csc3c2CCCC3)c([N+](=O)[O-])c1 ZINC000016114336 206318625 /nfs/dbraw/zinc/31/86/25/206318625.db2.gz BRVHMTQGAYJLBJ-UHFFFAOYSA-N 0 0 360.391 2.991 50 5 FFBARN COc1cc(CCNC(=O)[C@@H](C)OCCC(C)C)c([N+](=O)[O-])cc1OC ZINC000057993958 206390955 /nfs/dbraw/zinc/39/09/55/206390955.db2.gz LMCPHAZWLLOKSM-CYBMUJFWSA-N 0 0 368.430 2.722 50 5 FFBARN C[C@H](Nc1ccc([N+](=O)[O-])c2cnccc12)c1cccc(S(N)(=O)=O)c1 ZINC000058171905 206395035 /nfs/dbraw/zinc/39/50/35/206395035.db2.gz ZDSSBIDBUGCZCK-NSHDSACASA-N 0 0 372.406 2.964 50 5 FFBARN COC(=O)c1ccc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000031547454 206509066 /nfs/dbraw/zinc/50/90/66/206509066.db2.gz QBQZGAOXRUFRIP-UHFFFAOYSA-N 0 0 366.333 2.819 50 5 FFBARN C[C@@H]1CN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cn2)C[C@H](C)O1 ZINC000239782571 132289274 /nfs/dbraw/zinc/28/92/74/132289274.db2.gz CPHLIVBUPMAJGM-BETUJISGSA-N 0 0 356.382 2.856 50 5 FFBARN Nc1ncnc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c1[N+](=O)[O-] ZINC000004059597 132386294 /nfs/dbraw/zinc/38/62/94/132386294.db2.gz KHEJDCBDUXZIDM-UHFFFAOYSA-N 0 0 369.212 2.600 50 5 FFBARN O=[N+]([O-])c1ccc(N2CCN(Cc3cn4ccccc4n3)CC2)c(F)c1 ZINC000042097044 136121128 /nfs/dbraw/zinc/12/11/28/136121128.db2.gz DOUUAKWSCIYLRQ-UHFFFAOYSA-N 0 0 355.373 2.704 50 5 FFBARN O=[N+]([O-])c1ccc(NCc2ccc(N3CCCC[C@H]3CCO)nc2)nc1 ZINC000047253888 136122703 /nfs/dbraw/zinc/12/27/03/136122703.db2.gz NGXBHQPOLJKHQT-HNNXBMFYSA-N 0 0 357.414 2.738 50 5 FFBARN COc1cc(OC)cc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000048305765 136123388 /nfs/dbraw/zinc/12/33/88/136123388.db2.gz OXNQGXJJWLHHIJ-UHFFFAOYSA-N 0 0 371.393 2.574 50 5 FFBARN CC[C@H]1C(=O)NCCN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000075103542 136150044 /nfs/dbraw/zinc/15/00/44/136150044.db2.gz RERIEPFXTJNISM-HNNXBMFYSA-N 0 0 353.378 2.541 50 5 FFBARN Cc1cccc(OCC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1C ZINC000012534640 136151467 /nfs/dbraw/zinc/15/14/67/136151467.db2.gz RUEWZDMAGMOWDM-UHFFFAOYSA-N 0 0 369.421 2.939 50 5 FFBARN Cc1ccc(C2=N/C(=C/c3ccc4c(c3)OCO4)C(=O)O2)cc1[N+](=O)[O-] ZINC000000829660 506235220 /nfs/dbraw/zinc/23/52/20/506235220.db2.gz AKRIRJPUWPOVEW-AWNIVKPZSA-N 0 0 352.302 2.976 50 5 FFBARN CC(=O)Nc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)cc1 ZINC000000851115 506237420 /nfs/dbraw/zinc/23/74/20/506237420.db2.gz LPRFQXHABVZVAS-UHFFFAOYSA-N 0 0 367.317 2.912 50 5 FFBARN Cc1cc(C(=O)Nc2ncn(Cc3ccc(F)cc3)n2)ccc1[N+](=O)[O-] ZINC000001053743 506245888 /nfs/dbraw/zinc/24/58/88/506245888.db2.gz DSMXLKUNUJBTMG-UHFFFAOYSA-N 0 0 355.329 2.934 50 5 FFBARN Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000001176425 506253668 /nfs/dbraw/zinc/25/36/68/506253668.db2.gz MTBZEEOTEBZMEL-UHFFFAOYSA-N 0 0 369.377 2.628 50 5 FFBARN COc1ccc(C(=O)CCC(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000002989045 506305757 /nfs/dbraw/zinc/30/57/57/506305757.db2.gz SHITZLDVCVIBAF-UHFFFAOYSA-N 0 0 371.345 2.992 50 5 FFBARN O=C(COC(=O)Cc1ccccc1[N+](=O)[O-])NCc1ccc(Cl)cc1 ZINC000003431271 506330680 /nfs/dbraw/zinc/33/06/80/506330680.db2.gz ZFUVSDMWGDYAKP-UHFFFAOYSA-N 0 0 362.769 2.650 50 5 FFBARN Cc1c(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cccc1[N+](=O)[O-] ZINC000004797366 506395526 /nfs/dbraw/zinc/39/55/26/506395526.db2.gz ZXCFFBURBZPIQT-UHFFFAOYSA-N 0 0 370.365 2.774 50 5 FFBARN C[C@@H]1C(=O)N(c2ccc([N+](=O)[O-])cc2)CCN1C(=O)c1cccc(F)c1 ZINC000037522075 506427741 /nfs/dbraw/zinc/42/77/41/506427741.db2.gz JHKVPKWMPMPNDQ-GFCCVEGCSA-N 0 0 357.341 2.611 50 5 FFBARN O=C(CNc1ccccc1N1CCCC1=O)Nc1cccc([N+](=O)[O-])c1 ZINC000012517167 506870177 /nfs/dbraw/zinc/87/01/77/506870177.db2.gz ONHGSTLTYZTWEB-UHFFFAOYSA-N 0 0 354.366 2.772 50 5 FFBARN O=C(C1CCN(c2ccc([N+](=O)[O-])cn2)CC1)N1CCc2ccccc2C1 ZINC000012986406 506922083 /nfs/dbraw/zinc/92/20/83/506922083.db2.gz PWEYYHSQZHXHPI-UHFFFAOYSA-N 0 0 366.421 2.791 50 5 FFBARN CN(C[C@@H]1COc2ccccc2O1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000013021792 506924977 /nfs/dbraw/zinc/92/49/77/506924977.db2.gz VVJXVUIPVVCCIS-CQSZACIVSA-N 0 0 374.418 2.985 50 5 FFBARN O=[N+]([O-])c1ccc2c(c1)[C@H](N1CCOCC1)/C(=C/C1(O)CCCCC1)O2 ZINC000019782220 507201535 /nfs/dbraw/zinc/20/15/35/507201535.db2.gz NTHQPAPZADRELK-FDWYHIAWSA-N 0 0 360.410 2.940 50 5 FFBARN c1nnc2c3c4c(sc3n3cnnc3n12)CN(Cc1ccccc1)CC4 ZINC000020057841 507209343 /nfs/dbraw/zinc/20/93/43/507209343.db2.gz RWQFTXICLZFGHM-UHFFFAOYSA-N 0 0 361.434 2.545 50 5 FFBARN CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)O[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000020945976 507238683 /nfs/dbraw/zinc/23/86/83/507238683.db2.gz KCWSYUXZDNFKOM-INIZCTEOSA-N 0 0 356.294 2.742 50 5 FFBARN C[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)Cc1cccc(F)c1 ZINC000024658046 507427097 /nfs/dbraw/zinc/42/70/97/507427097.db2.gz JQCKDPDGWQGDII-GFCCVEGCSA-N 0 0 360.341 2.938 50 5 FFBARN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1Cn1nc(-c2cccs2)oc1=O ZINC000024654871 507427173 /nfs/dbraw/zinc/42/71/73/507427173.db2.gz JLFAFLKIMUAIPZ-SNVBAGLBSA-N 0 0 358.379 2.882 50 5 FFBARN COc1cc2c(cc1OC)CN(Cn1ncc3cc([N+](=O)[O-])ccc31)CC2 ZINC000027490904 507660339 /nfs/dbraw/zinc/66/03/39/507660339.db2.gz AWAWVMICBJONIH-UHFFFAOYSA-N 0 0 368.393 2.978 50 5 FFBARN O=C(COc1ccc([N+](=O)[O-])cc1)NCc1cccc(Cn2ccnc2)c1 ZINC000030584817 507811024 /nfs/dbraw/zinc/81/10/24/507811024.db2.gz NUSQCFXOPZQPAX-UHFFFAOYSA-N 0 0 366.377 2.535 50 5 FFBARN NC(=O)[C@H]1CCCCC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000079097519 507933301 /nfs/dbraw/zinc/93/33/01/507933301.db2.gz DVTUJJVOABWDJI-JQWIXIFHSA-N 0 0 354.794 2.804 50 5 FFBARN O=C(NC[C@H]1CC(=O)N(Cc2ccccc2)C1)Nc1cccc([N+](=O)[O-])c1 ZINC000095442632 508185260 /nfs/dbraw/zinc/18/52/60/508185260.db2.gz GVKCFKZWCYJIHX-OAHLLOKOSA-N 0 0 368.393 2.765 50 5 FFBARN Cc1nc(C)c(CCNC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)s1 ZINC000225749226 509386517 /nfs/dbraw/zinc/38/65/17/509386517.db2.gz YXJWSYAUCGCJNB-UHFFFAOYSA-N 0 0 366.418 2.846 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)Cc1cnc(C)s1 ZINC000047259174 570884377 /nfs/dbraw/zinc/88/43/77/570884377.db2.gz IGQDFODUNWDQHQ-JTQLQIEISA-N 0 0 364.427 2.827 50 5 FFBARN CC(C)CCNC(=O)C1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000048253862 570940596 /nfs/dbraw/zinc/94/05/96/570940596.db2.gz JPMGSZUCOHXQCG-UHFFFAOYSA-N 0 0 373.457 2.776 50 5 FFBARN Cc1ccc2nc(COC(=O)/C=C\c3ccccc3[N+](=O)[O-])cc(=O)n2c1 ZINC000097994011 1013241443 /nfs/dbraw/zinc/24/14/43/1013241443.db2.gz VQUFCXNUXAVUCN-CLFYSBASSA-N 0 0 365.345 2.668 50 5 FFBARN CN(C)C(=O)COc1ccc(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)cc1 ZINC000098006463 1013262780 /nfs/dbraw/zinc/26/27/80/1013262780.db2.gz DFNSILZZHHNVQR-WDZFZDKYSA-N 0 0 369.377 2.714 50 5 FFBARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CCC(N2CCCCC2=O)CC1 ZINC000098059421 964702693 /nfs/dbraw/zinc/70/26/93/964702693.db2.gz ZXCCOYOOYMYAQX-FPLPWBNLSA-N 0 0 357.410 2.612 50 5 FFBARN O=C(Nc1ccccc1[N+](=O)[O-])c1nc[nH]c1C(=O)NC1CCCCC1 ZINC000004978912 975472317 /nfs/dbraw/zinc/47/23/17/975472317.db2.gz VKIUOIWJLKGZOI-UHFFFAOYSA-N 0 0 357.370 2.633 50 5 FFBARN CC(=O)Oc1ccc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1 ZINC000001228336 203995373 /nfs/dbraw/zinc/99/53/73/203995373.db2.gz YASKABTXXUBIFJ-YBEGLDIGSA-N 0 0 352.302 2.865 50 5 FFBARN Cn1nc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)ccc1=O ZINC000010325251 204008745 /nfs/dbraw/zinc/00/87/45/204008745.db2.gz BLAPNJJHNNORTK-UHFFFAOYSA-N 0 0 350.334 2.608 50 5 FFBARN COc1ccc(C(=O)COC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000002810078 204059950 /nfs/dbraw/zinc/05/99/50/204059950.db2.gz BZHROXQBDIMTLE-UHFFFAOYSA-N 0 0 360.278 2.551 50 5 FFBARN CN(C)C(=O)N[C@@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000003896817 204113889 /nfs/dbraw/zinc/11/38/89/204113889.db2.gz VMRBNSWQWIQWFL-SECBINFHSA-N 0 0 355.609 2.974 50 5 FFBARN O=c1[nH]c2ccc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3)cc2s1 ZINC000003906376 204115936 /nfs/dbraw/zinc/11/59/36/204115936.db2.gz FWVIVYOSFMDPFP-UHFFFAOYSA-N 0 0 351.365 2.711 50 5 FFBARN Cc1ccc(S(=O)(=O)Nc2ccc3oc(=O)sc3c2)cc1[N+](=O)[O-] ZINC000004148309 204124164 /nfs/dbraw/zinc/12/41/64/204124164.db2.gz BLZMVYHGYMREBH-UHFFFAOYSA-N 0 0 366.376 2.872 50 5 biogenic FFBARN CCCCCC(=O)N[C@@H](Cc1ccc(OC)c([N+](=O)[O-])c1)C(=O)OCC ZINC000004146820 204125075 /nfs/dbraw/zinc/12/50/75/204125075.db2.gz RGTRBYOIYUWIIJ-AWEZNQCLSA-N 0 0 366.414 2.774 50 5 FFBARN O=c1sc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc2ccccc12 ZINC000004597634 204149521 /nfs/dbraw/zinc/14/95/21/204149521.db2.gz ZIAFZAKWPUGRJZ-UHFFFAOYSA-N 0 0 368.418 2.891 50 5 FFBARN CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@@H](C)n1cc([N+](=O)[O-])cn1 ZINC000004686790 204155531 /nfs/dbraw/zinc/15/55/31/204155531.db2.gz FIVJTLNIZKUVEY-SECBINFHSA-N 0 0 366.399 2.846 50 5 FFBARN COc1cc(/C=C/C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])ccc1O ZINC000005560433 204216131 /nfs/dbraw/zinc/21/61/31/204216131.db2.gz USBDAZRHCLHOFY-VQHVLOKHSA-N 0 0 372.333 2.504 50 5 FFBARN COc1cc(C2=N/C(=C\c3ccc([N+](=O)[O-])o3)C(=O)O2)cc(OC)c1OC ZINC000004889251 204173240 /nfs/dbraw/zinc/17/32/40/204173240.db2.gz RKSQTNCTPIFOMF-FLIBITNWSA-N 0 0 374.305 2.558 50 5 FFBARN COc1ccc(C(=O)COC(=O)c2ccc([N+](=O)[O-])s2)cc1OC ZINC000005020724 204184980 /nfs/dbraw/zinc/18/49/80/204184980.db2.gz QJURLFCLQIAXAW-UHFFFAOYSA-N 0 0 351.336 2.713 50 5 FFBARN Nc1nc(Nc2ccc(Cl)cc2)nc(NC[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000005164983 204195490 /nfs/dbraw/zinc/19/54/90/204195490.db2.gz VXQOJNOXJUSIJM-NSHDSACASA-N 0 0 364.793 2.955 50 5 FFBARN Nc1nc(NCCc2ccccc2)nc(NCc2ccco2)c1[N+](=O)[O-] ZINC000005164200 204196054 /nfs/dbraw/zinc/19/60/54/204196054.db2.gz FWPHEBIANCTASS-UHFFFAOYSA-N 0 0 354.370 2.827 50 5 FFBARN O=C(COC(=O)c1ccc([N+](=O)[O-])o1)N1CCC(Cc2ccccc2)CC1 ZINC000005900036 204230204 /nfs/dbraw/zinc/23/02/04/204230204.db2.gz PYLHJXWHLAGOOV-UHFFFAOYSA-N 0 0 372.377 2.826 50 5 FFBARN Cc1cccc(-c2nc3s/c(=C/c4cccc([N+](=O)[O-])c4)c(=O)n3n2)c1 ZINC000006479018 204249696 /nfs/dbraw/zinc/24/96/96/204249696.db2.gz HAGUVVPOKBRARU-XNTDXEJSSA-N 0 0 364.386 2.582 50 5 FFBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)OCC(=O)NCCCc1ccccc1 ZINC000007238843 204292625 /nfs/dbraw/zinc/29/26/25/204292625.db2.gz VOEVSEUFGRBONX-VAWYXSNFSA-N 0 0 368.389 2.900 50 5 FFBARN O=C(c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000006700746 204261469 /nfs/dbraw/zinc/26/14/69/204261469.db2.gz HHRGTOVQWCPGMW-UHFFFAOYSA-N 0 0 360.391 2.664 50 5 FFBARN Cc1ccc(NC(=O)/C(=C/c2cnn(C)c2)n2cc([N+](=O)[O-])cn2)c(C)c1 ZINC000006787800 204270659 /nfs/dbraw/zinc/27/06/59/204270659.db2.gz VHFZPLHWEZVRGU-IDUWFGFVSA-N 0 0 366.381 2.778 50 5 FFBARN O=C([C@@H](Oc1cc(F)ccc1[N+](=O)[O-])c1ccccc1)N1CCOCC1 ZINC000006842371 204276314 /nfs/dbraw/zinc/27/63/14/204276314.db2.gz MZIKDFHOJVRYFI-KRWDZBQOSA-N 0 0 360.341 2.713 50 5 FFBARN O=C(/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2)NCc1ccc(F)cc1 ZINC000008942211 204350857 /nfs/dbraw/zinc/35/08/57/204350857.db2.gz HGRIPCCIIRBTLG-ZZXKWVIFSA-N 0 0 358.325 2.930 50 5 FFBARN NC(=O)c1ccc(CSc2nnc3[nH]c4ccccc4n32)c([N+](=O)[O-])c1 ZINC000009115891 204354625 /nfs/dbraw/zinc/35/46/25/204354625.db2.gz VHAXZIGFDCHCHD-UHFFFAOYSA-N 0 0 368.378 2.510 50 5 FFBARN COc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2nccn2C)cc1 ZINC000008720046 204341122 /nfs/dbraw/zinc/34/11/22/204341122.db2.gz JPHBXEHAFAEELC-QGZVFWFLSA-N 0 0 366.377 2.856 50 5 FFBARN O=C(Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]1c1cccs1 ZINC000036735381 205021459 /nfs/dbraw/zinc/02/14/59/205021459.db2.gz QRMSKZNRBIVRRH-GFCCVEGCSA-N 0 0 373.390 2.928 50 5 FFBARN C[C@H]1C(=O)N(CCOc2ccccc2[N+](=O)[O-])C(=O)N1c1ccccc1 ZINC000047354741 205145247 /nfs/dbraw/zinc/14/52/47/205145247.db2.gz DSXBVNKYVMQZAB-ZDUSSCGKSA-N 0 0 355.350 2.831 50 5 FFBARN O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000048331442 205157614 /nfs/dbraw/zinc/15/76/14/205157614.db2.gz JKLXBYNPXNNMMT-MSOLQXFVSA-N 0 0 362.389 2.821 50 5 FFBARN Cc1c(NC(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000058060576 205248893 /nfs/dbraw/zinc/24/88/93/205248893.db2.gz PPRPZOGJMJJLBW-QGZVFWFLSA-N 0 0 368.393 2.998 50 5 FFBARN O=C(Cc1csc(-c2cccnc2)n1)NCc1ccccc1[N+](=O)[O-] ZINC000058406861 205274489 /nfs/dbraw/zinc/27/44/89/205274489.db2.gz YFTCKEYFBNOVGO-UHFFFAOYSA-N 0 0 354.391 2.972 50 5 FFBARN O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000067618753 205377769 /nfs/dbraw/zinc/37/77/69/205377769.db2.gz RDYFCQLBHFAJIO-RBUKOAKNSA-N 0 0 366.421 2.983 50 5 FFBARN O=[N+]([O-])c1ccccc1OCCSc1nnnn1Cc1ccccc1 ZINC000048356535 206084493 /nfs/dbraw/zinc/08/44/93/206084493.db2.gz FQJLOFXVUOVYMW-UHFFFAOYSA-N 0 0 357.395 2.801 50 5 FFBARN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000004496954 206178426 /nfs/dbraw/zinc/17/84/26/206178426.db2.gz QYLZPDKKVYRBBP-QIENPNARSA-N 0 0 351.362 2.530 50 5 FFBARN O=C(N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000004497486 206177933 /nfs/dbraw/zinc/17/79/33/206177933.db2.gz AEIBBZCCTLGFGY-ZDUSSCGKSA-N 0 0 359.769 2.784 50 5 FFBARN CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000005241405 206192488 /nfs/dbraw/zinc/19/24/88/206192488.db2.gz WVALWZAITONUGN-UHFFFAOYSA-N 0 0 364.379 2.649 50 5 FFBARN Cc1cc(C(=O)OCC(=O)N2CCC(c3ccccc3)=N2)ccc1[N+](=O)[O-] ZINC000005635926 206198842 /nfs/dbraw/zinc/19/88/42/206198842.db2.gz KHZXWCHQROJYNB-UHFFFAOYSA-N 0 0 367.361 2.697 50 5 FFBARN COc1cccc(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000006585619 206202734 /nfs/dbraw/zinc/20/27/34/206202734.db2.gz FNSGJYWLRRUWEB-NSHDSACASA-N 0 0 374.349 2.796 50 5 FFBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1ccccc1C(=O)NC1CC1 ZINC000010759534 206281091 /nfs/dbraw/zinc/28/10/91/206281091.db2.gz NOVBWYOYVHHNFT-UHFFFAOYSA-N 0 0 368.393 2.846 50 5 FFBARN O=C(Cc1cnn(-c2ccccc2)c1)NCCNc1ccccc1[N+](=O)[O-] ZINC000014848719 206313109 /nfs/dbraw/zinc/31/31/09/206313109.db2.gz IRPZSUACYYYKAK-UHFFFAOYSA-N 0 0 365.393 2.551 50 5 FFBARN COc1cccc(C(=O)N2CCCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000057142277 206384374 /nfs/dbraw/zinc/38/43/74/206384374.db2.gz WGBLPASEHOIAPR-UHFFFAOYSA-N 0 0 355.394 2.956 50 5 FFBARN COc1ccc(S(=O)(=O)NCCCCc2ccccc2)cc1[N+](=O)[O-] ZINC000024759863 206412416 /nfs/dbraw/zinc/41/24/16/206412416.db2.gz JSUJENVZKZLJGX-UHFFFAOYSA-N 0 0 364.423 2.905 50 5 FFBARN COc1ccccc1Nc1nc(N2CCC[C@H](C)C2)nc(N)c1[N+](=O)[O-] ZINC000004306400 132386649 /nfs/dbraw/zinc/38/66/49/132386649.db2.gz BBOZDBRGTFIUCJ-NSHDSACASA-N 0 0 358.402 2.956 50 5 FFBARN O=C(c1ccc(Cl)cc1F)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000040074528 136119164 /nfs/dbraw/zinc/11/91/64/136119164.db2.gz ROOPXXPNODBMTB-UHFFFAOYSA-N 0 0 364.764 2.745 50 5 FFBARN O=C(Cc1ccccc1[N+](=O)[O-])NCCC(=O)N1CCCc2ccccc21 ZINC000040122561 136119414 /nfs/dbraw/zinc/11/94/14/136119414.db2.gz KNWHJONKRDYTFV-UHFFFAOYSA-N 0 0 367.405 2.623 50 5 FFBARN COc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cn2)cc1[N+](=O)[O-] ZINC000000881981 506239219 /nfs/dbraw/zinc/23/92/19/506239219.db2.gz PJFVOCHAZFCMQD-UHFFFAOYSA-N 0 0 366.786 2.779 50 5 FFBARN Cc1ccc(NC(=O)[C@@H](C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000032675831 506275997 /nfs/dbraw/zinc/27/59/97/506275997.db2.gz UJTYUPBZXLZKGS-LLVKDONJSA-N 0 0 366.370 2.843 50 5 FFBARN C[C@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])n1cnc2ccccc21 ZINC000032914262 506310928 /nfs/dbraw/zinc/31/09/28/506310928.db2.gz NEWCKTGXVGNKLO-CYBMUJFWSA-N 0 0 353.382 2.734 50 5 FFBARN Cc1ccc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1-n1cnnn1 ZINC000033081995 506332905 /nfs/dbraw/zinc/33/29/05/506332905.db2.gz CLHDKIGLUVLCDU-VQHVLOKHSA-N 0 0 350.338 2.531 50 5 FFBARN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])s1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000003496282 506336355 /nfs/dbraw/zinc/33/63/55/506336355.db2.gz BBAFSOYGHSZXAV-MRVPVSSYSA-N 0 0 364.335 2.569 50 5 FFBARN CCOC(=O)/C(Sc1ccccc1[N+](=O)[O-])=C(\C)N1CCOCC1 ZINC000033739796 506364168 /nfs/dbraw/zinc/36/41/68/506364168.db2.gz MNYCSLVEKNMBBY-QINSGFPZSA-N 0 0 352.412 2.814 50 5 FFBARN O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1ccccc1[N+](=O)[O-] ZINC000004825374 506396672 /nfs/dbraw/zinc/39/66/72/506396672.db2.gz QHBXJUCELLZAGI-UHFFFAOYSA-N 0 0 361.741 2.612 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1OCC(=O)NCCSc1ccccc1 ZINC000008243730 506635130 /nfs/dbraw/zinc/63/51/30/506635130.db2.gz MOHDMLNKGCJCSU-UHFFFAOYSA-N 0 0 362.407 2.891 50 5 FFBARN COC(=O)[C@H]1CCc2nc3scc(-c4ccc([N+](=O)[O-])cc4)c3c(=O)n21 ZINC000008382578 506648313 /nfs/dbraw/zinc/64/83/13/506648313.db2.gz AOJQFQYHAJXBSG-GFCCVEGCSA-N 0 0 371.374 2.694 50 5 FFBARN COc1ccc(Nc2nc(N)c([N+](=O)[O-])c(N3CCC[C@@H](C)C3)n2)cc1 ZINC000009329407 506691655 /nfs/dbraw/zinc/69/16/55/506691655.db2.gz FKQQMFUHQWFTST-LLVKDONJSA-N 0 0 358.402 2.956 50 5 FFBARN Cc1cc(Oc2ccc(S(=O)(=O)N3CCCC3)cn2)ccc1[N+](=O)[O-] ZINC000012563213 506880335 /nfs/dbraw/zinc/88/03/35/506880335.db2.gz QKSPXVZZRRSWLW-UHFFFAOYSA-N 0 0 363.395 2.875 50 5 FFBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCN(Cc2ccccc2)CC1 ZINC000013943424 506957295 /nfs/dbraw/zinc/95/72/95/506957295.db2.gz OKVDJTNLUZMAGF-MDZDMXLPSA-N 0 0 351.406 2.952 50 5 FFBARN O=C(c1ccccc1[N+](=O)[O-])N1CCC(c2nnc3ccccn32)CC1 ZINC000045631972 506993838 /nfs/dbraw/zinc/99/38/38/506993838.db2.gz DSMBNLZQQPRFCU-UHFFFAOYSA-N 0 0 351.366 2.657 50 5 FFBARN O=[N+]([O-])c1ccc(N2CCCN(C(=S)Nc3ccccc3)CC2)nc1 ZINC000020406014 507220602 /nfs/dbraw/zinc/22/06/02/507220602.db2.gz DSCQAFLKKZXBCB-UHFFFAOYSA-N 0 0 357.439 2.899 50 5 FFBARN Cc1noc(/C=C/c2ccc(S(=O)(=O)N3CCCC3)cc2)c1[N+](=O)[O-] ZINC000021112455 507243672 /nfs/dbraw/zinc/24/36/72/507243672.db2.gz HPZPZXIXUQKKIC-RMKNXTFCSA-N 0 0 363.395 2.846 50 5 FFBARN O=C(NCCNc1ncccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000023055266 507326560 /nfs/dbraw/zinc/32/65/60/507326560.db2.gz SKWVKUSMMRKFMK-UHFFFAOYSA-N 0 0 354.288 2.851 50 5 FFBARN Cn1ccnc1C(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000024596495 507422391 /nfs/dbraw/zinc/42/23/91/507422391.db2.gz ZCDFCWSKGRPQOL-UHFFFAOYSA-N 0 0 350.334 2.812 50 5 FFBARN C[C@@H](Cn1cccn1)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000024807494 507441073 /nfs/dbraw/zinc/44/10/73/507441073.db2.gz NVCQUKFZNSJCSW-AWEZNQCLSA-N 0 0 357.414 2.600 50 5 FFBARN O=C(Nc1cccc(Cn2ccnc2)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000025180181 507472208 /nfs/dbraw/zinc/47/22/08/507472208.db2.gz DPVSCAOETLBVQR-UHFFFAOYSA-N 0 0 362.349 2.968 50 5 FFBARN O=C(NCCNc1ccc([N+](=O)[O-])cc1)C1(c2ccccc2)CCOCC1 ZINC000025268501 507480253 /nfs/dbraw/zinc/48/02/53/507480253.db2.gz ZDSFFACDTILHRN-UHFFFAOYSA-N 0 0 369.421 2.871 50 5 FFBARN O=C(Nc1ccc(F)cc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000030260288 507804539 /nfs/dbraw/zinc/80/45/39/507804539.db2.gz RWIGDRXJLKWBQG-UHFFFAOYSA-N 0 0 372.356 2.724 50 5 FFBARN Cc1[nH]c(CN(C)C(=O)NC[C@H]2CCCO2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000095456167 508186485 /nfs/dbraw/zinc/18/64/85/508186485.db2.gz UMJBZQYJFSYICD-OAHLLOKOSA-N 0 0 373.413 2.614 50 5 FFBARN CN(C)C1=N[C@@H]2Nc3ccccc3N(C)[C@H]2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000239174411 524037884 /nfs/dbraw/zinc/03/78/84/524037884.db2.gz PZFWIEROOQOKSF-SQNIBIBYSA-N 0 0 351.410 2.909 50 5 FFBARN COc1cccc(-c2cn(CC(=O)c3cccc([N+](=O)[O-])c3)c(=N)n2C)c1 ZINC000334157576 525715295 /nfs/dbraw/zinc/71/52/95/525715295.db2.gz NSEKGGNNJGFQGH-UHFFFAOYSA-N 0 0 366.377 2.773 50 5 FFBARN COc1cc(/C=C\C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1O ZINC000035176303 1019334598 /nfs/dbraw/zinc/33/45/98/1019334598.db2.gz PYFKLGQCRYWMOQ-OQFOIZHKSA-N 0 0 372.333 2.504 50 5 FFBARN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Cn3nc(C)cc3C)cc2)n1 ZINC000000655536 203938862 /nfs/dbraw/zinc/93/88/62/203938862.db2.gz GODVUNFIBOEBJP-UHFFFAOYSA-N 0 0 368.397 2.925 50 5 FFBARN CCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000001444841 204008519 /nfs/dbraw/zinc/00/85/19/204008519.db2.gz OBCUDWKLYZOFNW-ZDUSSCGKSA-N 0 0 369.377 2.985 50 5 FFBARN COc1cccc(NC(=O)[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000002871468 204065139 /nfs/dbraw/zinc/06/51/39/204065139.db2.gz MWJNXRLNVYYGTM-LBPRGKRZSA-N 0 0 355.350 2.595 50 5 FFBARN COc1cccc(CNC(=O)c2ccc3nc4ccccc4c(=O)n3c2)c1 ZINC000002965654 204071333 /nfs/dbraw/zinc/07/13/33/204071333.db2.gz AZJSJLKDECSGJL-UHFFFAOYSA-N 0 0 359.385 2.786 50 5 FFBARN COc1ccc(C(=O)OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000003244927 204084723 /nfs/dbraw/zinc/08/47/23/204084723.db2.gz WPANGOPXLGEYEI-VXGBXAGGSA-N 0 0 350.371 2.550 50 5 FFBARN O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@H](C(=O)N2CCCCCC2)C1 ZINC000002786818 204057051 /nfs/dbraw/zinc/05/70/51/204057051.db2.gz JSVAKABNKQIUQO-HNNXBMFYSA-N 0 0 359.426 2.850 50 5 FFBARN CCOc1ccc(Nc2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])cc1 ZINC000003879159 204112962 /nfs/dbraw/zinc/11/29/62/204112962.db2.gz HQSDKMDVGFIYTO-UHFFFAOYSA-N 0 0 351.384 2.645 50 5 FFBARN Cc1cc(C)n2nc(SCc3cc([N+](=O)[O-])cc4c3OCOC4)nc2n1 ZINC000003351923 204094141 /nfs/dbraw/zinc/09/41/41/204094141.db2.gz OUECNGWTQJCMLI-UHFFFAOYSA-N 0 0 373.394 2.808 50 5 FFBARN O=[N+]([O-])c1ccc(NCCNS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000004608548 204150361 /nfs/dbraw/zinc/15/03/61/204150361.db2.gz UKSKVVMXUUWZLM-UHFFFAOYSA-N 0 0 355.803 2.639 50 5 FFBARN CC(=O)OCCN(C)c1cc(SC(C)C)c2nonc2c1[N+](=O)[O-] ZINC000004676223 204154064 /nfs/dbraw/zinc/15/40/64/204154064.db2.gz XNHZVAYFCZQGAW-UHFFFAOYSA-N 0 0 354.388 2.631 50 5 FFBARN COc1ccc(CCNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1OC ZINC000004702873 204156747 /nfs/dbraw/zinc/15/67/47/204156747.db2.gz VUHIPSFFMMKERF-UHFFFAOYSA-N 0 0 360.366 2.593 50 5 FFBARN CCN(CC)S(=O)(=O)c1cc2c(=O)nc3ccccn3c2cc1Cl ZINC000004708637 204157473 /nfs/dbraw/zinc/15/74/73/204157473.db2.gz ZMZLVAJGUBHKML-UHFFFAOYSA-N 0 0 365.842 2.532 50 5 FFBARN Cc1ccc(CCNc2c([N+](=O)[O-])nn(-c3cccc(C)c3)[n+]2[O-])cc1 ZINC000004922444 204176681 /nfs/dbraw/zinc/17/66/81/204176681.db2.gz MKQATLVMDSOEET-UHFFFAOYSA-N 0 0 353.382 2.685 50 5 FFBARN Cc1ccccc1-n1nc([N+](=O)[O-])c(NCc2ccccc2Cl)[n+]1[O-] ZINC000004971339 204181193 /nfs/dbraw/zinc/18/11/93/204181193.db2.gz YQHBDHMVECMEJP-UHFFFAOYSA-N 0 0 359.773 2.988 50 5 FFBARN Cc1ccc(-c2cc(N)n(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000005034743 204187316 /nfs/dbraw/zinc/18/73/16/204187316.db2.gz YRLSFTFSCCZBHV-UHFFFAOYSA-N 0 0 358.379 2.586 50 5 FFBARN Nc1nc(Nc2cccc(Cl)c2)nc(NC[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000005195899 204197771 /nfs/dbraw/zinc/19/77/71/204197771.db2.gz CFGJJTDJZIRDAB-NSHDSACASA-N 0 0 364.793 2.955 50 5 FFBARN CCS(=O)(=O)c1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000005240988 204198892 /nfs/dbraw/zinc/19/88/92/204198892.db2.gz GPUCTMSBNQENQU-UHFFFAOYSA-N 0 0 364.379 2.649 50 5 FFBARN CS(=O)(=O)c1ccc(Oc2ccc3sc(=O)oc3c2)c([N+](=O)[O-])c1 ZINC000005721279 204222276 /nfs/dbraw/zinc/22/22/76/204222276.db2.gz DXDKJKLWLJIRFP-UHFFFAOYSA-N 0 0 367.360 2.959 50 5 FFBARN COc1ccc(C(C)=O)cc1Cn1cnc2cc([N+](=O)[O-])ccc2c1=O ZINC000006084457 204235986 /nfs/dbraw/zinc/23/59/86/204235986.db2.gz UXGYKFHQARIYBX-UHFFFAOYSA-N 0 0 353.334 2.564 50 5 FFBARN Cc1cccc([N+](=O)[O-])c1NC(=O)Cn1nnc(-c2ccccc2Cl)n1 ZINC000006653205 204258666 /nfs/dbraw/zinc/25/86/66/204258666.db2.gz IYTXQMYIIOCVLH-UHFFFAOYSA-N 0 0 372.772 2.849 50 5 FFBARN CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc([O-])ccc2[N+](=O)[O-])N3)C1 ZINC000006594381 204256141 /nfs/dbraw/zinc/25/61/41/204256141.db2.gz SVVGNZYPGCJDLE-OAHLLOKOSA-N 0 0 374.422 2.594 50 5 FFBARN COc1ccc(Oc2ccc(/C=C3\NC(=S)NC3=O)cc2[N+](=O)[O-])cc1 ZINC000008324218 204325758 /nfs/dbraw/zinc/32/57/58/204325758.db2.gz IPSZERRUGPVSQK-JYRVWZFOSA-N 0 0 371.374 2.741 50 5 FFBARN C[C@H](CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000008332549 204327689 /nfs/dbraw/zinc/32/76/89/204327689.db2.gz AOHOMEIYPCFWRV-CYBMUJFWSA-N 0 0 351.366 2.709 50 5 FFBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N ZINC000008398891 204329718 /nfs/dbraw/zinc/32/97/18/204329718.db2.gz RNCQNHKVVQNGID-UHFFFAOYSA-N 0 0 361.270 2.554 50 5 FFBARN COc1ccc(-c2nonc2NC(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000008916047 204348550 /nfs/dbraw/zinc/34/85/50/204348550.db2.gz QNNCNTRASMWFKL-UHFFFAOYSA-N 0 0 370.321 2.671 50 5 FFBARN CCN(Cc1ccccc1)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000009113912 204354280 /nfs/dbraw/zinc/35/42/80/204354280.db2.gz WDUUZJCFVXFQKJ-UHFFFAOYSA-N 0 0 351.366 2.838 50 5 FFBARN Cc1ccc(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)nc1 ZINC000009339305 204364620 /nfs/dbraw/zinc/36/46/20/204364620.db2.gz NMRZORCUOKULIG-UHFFFAOYSA-N 0 0 356.338 2.625 50 5 FFBARN Cc1ccc(C(=O)NCC(=O)Nc2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000009479097 204369947 /nfs/dbraw/zinc/36/99/47/204369947.db2.gz ZYZCFHJZBYHPPG-UHFFFAOYSA-N 0 0 370.390 2.881 50 5 FFBARN COc1cccc([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)c2nccn2C)c1 ZINC000008719932 204341413 /nfs/dbraw/zinc/34/14/13/204341413.db2.gz UMQOUODXEOYPFC-QGZVFWFLSA-N 0 0 366.377 2.856 50 5 FFBARN CCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1cccc2ccccc21 ZINC000010452507 204396866 /nfs/dbraw/zinc/39/68/66/204396866.db2.gz AIZFCZWRFDHOBO-UHFFFAOYSA-N 0 0 351.362 2.963 50 5 FFBARN Nc1ccc(C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)cc1[N+](=O)[O-] ZINC000012539945 204472748 /nfs/dbraw/zinc/47/27/48/204472748.db2.gz HCRGBFXOFMWZBT-OAHLLOKOSA-N 0 0 357.366 2.987 50 5 FFBARN Cc1ccc(OCC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c([N+](=O)[O-])c1 ZINC000012994864 204516493 /nfs/dbraw/zinc/51/64/93/204516493.db2.gz AUXIFEHMJVPPIM-UHFFFAOYSA-N 0 0 357.366 2.729 50 5 FFBARN O=C(COc1ccccc1[N+](=O)[O-])NCc1ccc(Cn2cccn2)cc1 ZINC000016302018 204634099 /nfs/dbraw/zinc/63/40/99/204634099.db2.gz YYNPKZODUBXEMN-UHFFFAOYSA-N 0 0 366.377 2.535 50 5 FFBARN CC(=O)Oc1ccccc1C1=NN(C(C)=O)[C@@H](c2cccc([N+](=O)[O-])c2)O1 ZINC000021091269 204746461 /nfs/dbraw/zinc/74/64/61/204746461.db2.gz KZVMFSYAWLPSEC-GOSISDBHSA-N 0 0 369.333 2.759 50 5 FFBARN O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cccc(OCc2ccc(F)cc2)c1 ZINC000048224340 205152778 /nfs/dbraw/zinc/15/27/78/205152778.db2.gz CNGSKEMJSAHCTI-UHFFFAOYSA-N 0 0 371.328 2.543 50 5 FFBARN O=[N+]([O-])c1ccc(NCc2cccc(CN3CCOCC3)c2)c([N+](=O)[O-])c1 ZINC000052429111 205185783 /nfs/dbraw/zinc/18/57/83/205185783.db2.gz QKXNWBPNDBKIJY-UHFFFAOYSA-N 0 0 372.381 2.947 50 5 FFBARN COCCc1ccc(OS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1 ZINC000055954127 205225474 /nfs/dbraw/zinc/22/54/74/205225474.db2.gz RDOSINBHPVYWDB-UHFFFAOYSA-N 0 0 351.380 2.860 50 5 FFBARN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[C@H](O)c1ccc(F)c(F)c1 ZINC000057770752 205244452 /nfs/dbraw/zinc/24/44/52/205244452.db2.gz QXYHUWDOKDUKSY-KRWDZBQOSA-N 0 0 373.315 2.830 50 5 FFBARN CCOC(=O)[C@H]1CCCCN1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000055543130 205220495 /nfs/dbraw/zinc/22/04/95/205220495.db2.gz GBYDFWQXQSDEBU-CYBMUJFWSA-N 0 0 352.387 2.530 50 5 FFBARN NC(=O)c1ccc(Nc2ccc(OC[C@H]3CCCO3)cc2)c([N+](=O)[O-])c1 ZINC000058148266 205251244 /nfs/dbraw/zinc/25/12/44/205251244.db2.gz VEDYQMXHQJELIG-OAHLLOKOSA-N 0 0 357.366 2.995 50 5 FFBARN Cc1ccc(N2C[C@H](NC(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2=O)cc1 ZINC000004496977 206177849 /nfs/dbraw/zinc/17/78/49/206177849.db2.gz BSBAYAVOQRCQLD-OAHLLOKOSA-N 0 0 353.378 2.747 50 5 FFBARN COc1ccc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)c([N+](=O)[O-])c1 ZINC000004072559 206166959 /nfs/dbraw/zinc/16/69/59/206166959.db2.gz KEKCAANPEBHIQG-UHFFFAOYSA-N 0 0 369.333 2.509 50 5 FFBARN O=[N+]([O-])c1ccc(Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1 ZINC000004575169 206180039 /nfs/dbraw/zinc/18/00/39/206180039.db2.gz OMEYOIQYCMDZKN-UHFFFAOYSA-N 0 0 355.402 2.724 50 5 FFBARN COc1cccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c1OC ZINC000005536491 206195559 /nfs/dbraw/zinc/19/55/59/206195559.db2.gz QUCZBVKIBRHIMZ-LLVKDONJSA-N 0 0 374.349 2.796 50 5 FFBARN CCOC(=O)c1ccccc1NC(=O)COc1cc([N+](=O)[O-])ccc1OC ZINC000006290781 206200432 /nfs/dbraw/zinc/20/04/32/206200432.db2.gz JHPQTYJONPRHFZ-UHFFFAOYSA-N 0 0 374.349 2.798 50 5 FFBARN O=c1cc(-c2ccccc2)nc2[nH]c(NCc3cccc([N+](=O)[O-])c3)nn21 ZINC000100282701 206221625 /nfs/dbraw/zinc/22/16/25/206221625.db2.gz UIICZMJBNOGXJN-UHFFFAOYSA-N 0 0 362.349 2.605 50 5 FFBARN O=C1[C@H]2ON=C(c3ccc([N+](=O)[O-])cc3)C2=C(O)N1c1ccc(Cl)cc1 ZINC000103608104 206234102 /nfs/dbraw/zinc/23/41/02/206234102.db2.gz TXQJNUPPOMOQKK-ZFWWWQNUSA-N 0 0 371.736 2.541 50 5 FFBARN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(Cl)s1 ZINC000003512312 206235026 /nfs/dbraw/zinc/23/50/26/206235026.db2.gz IDDJWRZYTQKSLF-UHFFFAOYSA-N 0 0 350.739 2.789 50 5 FFBARN Cc1ccc([C@@H](CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)N2CCOCC2)o1 ZINC000024573450 206411353 /nfs/dbraw/zinc/41/13/53/206411353.db2.gz OWDLFSXLNDIWEN-QGZVFWFLSA-N 0 0 373.409 2.608 50 5 FFBARN CCc1ccc(C(=O)Nc2ccc3c(c2)N(C(N)=O)CC3)cc1[N+](=O)[O-] ZINC000225629792 206489987 /nfs/dbraw/zinc/48/99/87/206489987.db2.gz JEHKQTPPHKPCNG-UHFFFAOYSA-N 0 0 354.366 2.851 50 5 FFBARN COc1ccc2cc(C(=O)NC[C@@H](O)c3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000031213255 206506893 /nfs/dbraw/zinc/50/68/93/206506893.db2.gz NKOBEXQIRNUBAB-QGZVFWFLSA-N 0 0 355.350 2.548 50 5 FFBARN O=C(CCOc1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000024972237 220469110 /nfs/dbraw/zinc/46/91/10/220469110.db2.gz NIWCBCCBRXSYCF-UHFFFAOYSA-N 0 0 373.384 2.852 50 5 FFBARN O=[N+]([O-])c1cccc(N2CCN(Cc3nnc(C4CC4)n3C3CC3)CC2)c1 ZINC000096008308 132216913 /nfs/dbraw/zinc/21/69/13/132216913.db2.gz IRRVKOODMUJYEF-UHFFFAOYSA-N 0 0 368.441 2.721 50 5 FFBARN COc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)cc1 ZINC000003932163 132386082 /nfs/dbraw/zinc/38/60/82/132386082.db2.gz OZISUZNBRPBLJW-UHFFFAOYSA-N 0 0 355.394 2.586 50 5 FFBARN CS(=O)(=O)c1ccc(N2CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000005638132 132829435 /nfs/dbraw/zinc/82/94/35/132829435.db2.gz RIBYXAZYIDQOGX-SECBINFHSA-N 0 0 352.334 2.777 50 5 FFBARN CCCC(=O)NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000009892036 132847526 /nfs/dbraw/zinc/84/75/26/132847526.db2.gz UTFBUYXOEIVHBK-UHFFFAOYSA-N 0 0 370.862 2.571 50 5 FFBARN COc1ccc(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1OC ZINC000025372755 132913802 /nfs/dbraw/zinc/91/38/02/132913802.db2.gz ICWWIWJNJZDKIS-UHFFFAOYSA-N 0 0 357.410 2.934 50 5 FFBARN O=C(Cc1c[nH]c2ccccc12)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000048306191 136123348 /nfs/dbraw/zinc/12/33/48/136123348.db2.gz RRRBAYCBFFLCPJ-UHFFFAOYSA-N 0 0 364.405 2.967 50 5 FFBARN Cc1c(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000054530491 136125660 /nfs/dbraw/zinc/12/56/60/136125660.db2.gz NVQNQXSDBIPZEG-UHFFFAOYSA-N 0 0 372.400 2.803 50 5 FFBARN O=[N+]([O-])c1cc2c(cc1CN1CCN(c3ccc(F)cc3)CC1)OCO2 ZINC000055543218 136126965 /nfs/dbraw/zinc/12/69/65/136126965.db2.gz MWRNAKIGGNBHDE-UHFFFAOYSA-N 0 0 359.357 2.785 50 5 FFBARN O=C(OCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000000828330 506234891 /nfs/dbraw/zinc/23/48/91/506234891.db2.gz ARGZMVPWRZEREV-CYBMUJFWSA-N 0 0 358.325 2.830 50 5 FFBARN O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccccc1Cl ZINC000000943324 506240441 /nfs/dbraw/zinc/24/04/41/506240441.db2.gz XHTATTGDDFHZID-UHFFFAOYSA-N 0 0 373.752 2.873 50 5 FFBARN COc1ccc(/C=C2/N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1OC ZINC000001041608 506245475 /nfs/dbraw/zinc/24/54/75/506245475.db2.gz ZRFWFMCSJCCNQW-NTEUORMPSA-N 0 0 354.318 2.957 50 5 FFBARN CCn1nc(C)c([N+](=O)[O-])c1-c1nnnn1-c1ccc(C(F)(F)F)cc1 ZINC000001047669 506246473 /nfs/dbraw/zinc/24/64/73/506246473.db2.gz JRKDDUUEJNZZRD-UHFFFAOYSA-N 0 0 367.291 2.781 50 5 FFBARN CC(C)N1c2ccccc2[C@@](O)(CC(=O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000001077839 506247366 /nfs/dbraw/zinc/24/73/66/506247366.db2.gz KDAMWLREFUTWDR-IBGZPJMESA-N 0 0 354.362 2.810 50 5 FFBARN CCOC(=O)Cc1csc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000001140635 506250709 /nfs/dbraw/zinc/25/07/09/506250709.db2.gz AKFNMVRSIPUPFJ-SNVBAGLBSA-N 0 0 363.395 2.899 50 5 FFBARN COc1cc2nc(COc3ccccc3[N+](=O)[O-])oc(=O)c2cc1OC ZINC000001139717 506250722 /nfs/dbraw/zinc/25/07/22/506250722.db2.gz BJSCEFMPZLTJAD-UHFFFAOYSA-N 0 0 358.306 2.692 50 5 FFBARN COC(=O)c1ccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000001174443 506251398 /nfs/dbraw/zinc/25/13/98/506251398.db2.gz BWWZADIMPWKVBB-UHFFFAOYSA-N 0 0 359.363 2.508 50 5 FFBARN O=[N+]([O-])c1ccccc1S(=O)(=O)NCCSCc1ccccc1 ZINC000002980726 506305206 /nfs/dbraw/zinc/30/52/06/506305206.db2.gz WURNCWCZLVLDOK-UHFFFAOYSA-N 0 0 352.437 2.807 50 5 FFBARN O=C(NCc1cccnc1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12 ZINC000035870207 506389699 /nfs/dbraw/zinc/38/96/99/506389699.db2.gz QVBRSFIHSOHDHL-IEBWSBKVSA-N 0 0 366.421 2.837 50 5 FFBARN Cc1cccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H](C)C2=O)c1 ZINC000037275775 506423227 /nfs/dbraw/zinc/42/32/27/506423227.db2.gz FFIADHLFTCVJKC-CQSZACIVSA-N 0 0 353.378 2.781 50 5 FFBARN Cc1ccccc1N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1=O ZINC000037521088 506427758 /nfs/dbraw/zinc/42/77/58/506427758.db2.gz XJPNZAWXJJTKAX-AWEZNQCLSA-N 0 0 353.378 2.781 50 5 FFBARN Cc1cc(C)n(C[C@H](C)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 ZINC000040146874 506474184 /nfs/dbraw/zinc/47/41/84/506474184.db2.gz YSLLEHFVNKTRRC-AWEZNQCLSA-N 0 0 371.441 2.827 50 5 FFBARN Cc1nnc([C@@H](C)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)o1 ZINC000040152887 506476465 /nfs/dbraw/zinc/47/64/65/506476465.db2.gz VIAXIKRWBUEDEC-SNVBAGLBSA-N 0 0 351.794 2.823 50 5 FFBARN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)Nc1cccc(Cl)c1 ZINC000007944649 506606151 /nfs/dbraw/zinc/60/61/51/506606151.db2.gz VDNTUSPIMVYZPB-UHFFFAOYSA-N 0 0 361.741 2.612 50 5 FFBARN CCOc1ncccc1C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000010963626 506759915 /nfs/dbraw/zinc/75/99/15/506759915.db2.gz XGEJSWRPRLYKKF-UHFFFAOYSA-N 0 0 359.338 2.802 50 5 FFBARN CCOc1ncccc1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000011480307 506777961 /nfs/dbraw/zinc/77/79/61/506777961.db2.gz IGOJQYNQWNIGDR-NSHDSACASA-N 0 0 359.338 2.573 50 5 FFBARN C[C@H](Sc1nnnn1C1CCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000012765635 506898197 /nfs/dbraw/zinc/89/81/97/506898197.db2.gz VRXMLUVDYJFFBT-JTQLQIEISA-N 0 0 362.415 2.816 50 5 FFBARN O=C(CCS(=O)(=O)Cc1ccccc1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000013844487 506957800 /nfs/dbraw/zinc/95/78/00/506957800.db2.gz IFNSMUINBUTXBM-UHFFFAOYSA-N 0 0 366.370 2.678 50 5 FFBARN Cn1ccnc1[C@@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000014401345 506990608 /nfs/dbraw/zinc/99/06/08/506990608.db2.gz WKMMALFAOUUPON-INIZCTEOSA-N 0 0 369.356 2.569 50 5 FFBARN CCSCCOC(=O)C1=C(C)NC(=O)C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000017074882 507115329 /nfs/dbraw/zinc/11/53/29/507115329.db2.gz UHUJDIGZHQZTNK-AWEZNQCLSA-N 0 0 364.423 2.769 50 5 FFBARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc([N+](=O)[O-])cc1 ZINC000019300888 507164537 /nfs/dbraw/zinc/16/45/37/507164537.db2.gz HGYFEULCVACRRI-UHFFFAOYSA-N 0 0 374.393 2.956 50 5 FFBARN COc1cccc(C(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000019773814 507200445 /nfs/dbraw/zinc/20/04/45/507200445.db2.gz PFXKHBXHSOHPTO-UHFFFAOYSA-N 0 0 355.394 2.561 50 5 FFBARN CC(=O)Oc1ccccc1C1=NN(C(C)=O)[C@H](c2cccc([N+](=O)[O-])c2)O1 ZINC000021091273 507243721 /nfs/dbraw/zinc/24/37/21/507243721.db2.gz KZVMFSYAWLPSEC-SFHVURJKSA-N 0 0 369.333 2.759 50 5 FFBARN Cc1cccn2c(=O)cc(COC(=O)c3ccc([N+](=O)[O-])cc3Cl)nc12 ZINC000023221100 507339066 /nfs/dbraw/zinc/33/90/66/507339066.db2.gz LQVYPPDPHNZTBC-UHFFFAOYSA-N 0 0 373.752 2.922 50 5 FFBARN CCOC(=O)c1ccc(Nc2cc(OC)c([N+](=O)[O-])nc2[N+](=O)[O-])cc1 ZINC000023283641 507343495 /nfs/dbraw/zinc/34/34/95/507343495.db2.gz FTBJVVMIWAYQOX-UHFFFAOYSA-N 0 0 362.298 2.827 50 5 FFBARN O=c1c([N+](=O)[O-])c(N2CCC[C@@H]2Cc2ccccc2)nc2ccccn21 ZINC000024201718 507397975 /nfs/dbraw/zinc/39/79/75/507397975.db2.gz HLFZMGFSLMLPDS-OAHLLOKOSA-N 0 0 350.378 2.814 50 5 FFBARN Cc1ccc2c(c1)C(=O)N(CCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)C2=O ZINC000025125891 507469815 /nfs/dbraw/zinc/46/98/15/507469815.db2.gz WFLULEVJWIMQRQ-UHFFFAOYSA-N 0 0 367.361 2.836 50 5 FFBARN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1Cc1nc(-c2ccc(F)cc2)no1 ZINC000025254073 507480736 /nfs/dbraw/zinc/48/07/36/507480736.db2.gz STRBAPORYQEGEP-UHFFFAOYSA-N 0 0 368.280 2.580 50 5 FFBARN CC12CN3CC(C)(CN(C1)C3c1cc3cc4ccccc4cc3[nH]c1=O)C2=O ZINC000095477660 508189132 /nfs/dbraw/zinc/18/91/32/508189132.db2.gz YCVUMEQNQNAKRW-UHFFFAOYSA-N 0 0 373.456 2.906 50 5 FFBARN CN(C)c1cc2c(c([N+](=O)[O-])c1)-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=O ZINC000095682036 508197665 /nfs/dbraw/zinc/19/76/65/508197665.db2.gz DWTBMWKUNWRWSF-UHFFFAOYSA-N 0 0 358.266 2.689 50 5 FFBARN CCOC(=O)CC[C@@H]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000095973230 508199899 /nfs/dbraw/zinc/19/98/99/508199899.db2.gz BHZCRWPGRJCGJZ-LBPRGKRZSA-N 0 0 374.397 2.667 50 5 FFBARN O=C(CCc1ccccc1)NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000096278047 508213042 /nfs/dbraw/zinc/21/30/42/508213042.db2.gz RQRLHQVHKHZXPH-UHFFFAOYSA-N 0 0 352.350 2.894 50 5 FFBARN CCn1c(=N)c(-c2nc3ccccc3n2C)cc2c1nc1ccccn1c2=O ZINC000101157157 508240848 /nfs/dbraw/zinc/24/08/48/508240848.db2.gz AVWHKQFLFJDYDD-UHFFFAOYSA-N 0 0 370.416 2.702 50 5 FFBARN COc1cc(CNC(=O)c2c[nH]nc2[N+](=O)[O-])ccc1OCCC(C)C ZINC000170617913 509681705 /nfs/dbraw/zinc/68/17/05/509681705.db2.gz IZCWBGRQAFVMAQ-UHFFFAOYSA-N 0 0 362.386 2.681 50 5 FFBARN CC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 ZINC000004902794 534892448 /nfs/dbraw/zinc/89/24/48/534892448.db2.gz KPYVUHTZWUXPAM-UHFFFAOYSA-N 0 0 369.377 2.886 50 5 FFBARN Cc1c(CS(=O)(=O)CC(=O)N[C@@H]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000048718149 570959128 /nfs/dbraw/zinc/95/91/28/570959128.db2.gz JYPFLKWDNVGMHW-SWLSCSKDSA-N 0 0 368.455 2.513 50 5 FFBARN O=C(/C=C\c1ccc2c(c1)OCO2)OCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000033700215 990585416 /nfs/dbraw/zinc/58/54/16/990585416.db2.gz VYSSLRYUVJGNJG-VURMDHGXSA-N 0 0 370.317 2.519 50 5 FFBARN CCn1cc(CN(C)C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c(C)n1 ZINC000002764717 204056296 /nfs/dbraw/zinc/05/62/96/204056296.db2.gz GFWRBHVRQHHEKV-UHFFFAOYSA-N 0 0 361.358 2.608 50 5 FFBARN Cc1c(C(=O)Nc2ccccc2C(=O)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000002853679 204062557 /nfs/dbraw/zinc/06/25/57/204062557.db2.gz BTODHLSWDIMJLE-UHFFFAOYSA-N 0 0 369.377 2.628 50 5 FFBARN CN(C)C(=O)N[C@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000003896816 204113900 /nfs/dbraw/zinc/11/39/00/204113900.db2.gz VMRBNSWQWIQWFL-VIFPVBQESA-N 0 0 355.609 2.974 50 5 FFBARN COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000004090911 204120438 /nfs/dbraw/zinc/12/04/38/204120438.db2.gz YMSDCEDSXAWWLD-UHFFFAOYSA-N 0 0 361.379 2.739 50 5 FFBARN Cc1nn(CCCc2nc(-c3ccc4c(c3)OCO4)no2)c(C)c1[N+](=O)[O-] ZINC000004745631 204159899 /nfs/dbraw/zinc/15/98/99/204159899.db2.gz CVBPLDIEHWWRQK-UHFFFAOYSA-N 0 0 371.353 2.820 50 5 FFBARN COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000004817987 204166533 /nfs/dbraw/zinc/16/65/33/204166533.db2.gz PHOUKODAUMRZRQ-UHFFFAOYSA-N 0 0 364.379 2.799 50 5 FFBARN CCOC(=O)c1c(NC(=O)c2ccno2)c2cc([N+](=O)[O-])ccc2n1C ZINC000004307620 204131103 /nfs/dbraw/zinc/13/11/03/204131103.db2.gz JATWBDGVMHEUSX-UHFFFAOYSA-N 0 0 358.310 2.504 50 5 FFBARN COc1ccc(C2=N/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1OC ZINC000004507933 204142634 /nfs/dbraw/zinc/14/26/34/204142634.db2.gz MCWGRBXBLOMXQR-ZROIWOOFSA-N 0 0 354.318 2.957 50 5 FFBARN COCCCNc1nc(N)c([N+](=O)[O-])c(Nc2cccc(Cl)c2)n1 ZINC000005032260 204186092 /nfs/dbraw/zinc/18/60/92/204186092.db2.gz ZTGDKCZAFZGWSB-UHFFFAOYSA-N 0 0 352.782 2.812 50 5 FFBARN CCOc1ccc(NC(=O)COC(=O)/C=C/c2ccco2)c([N+](=O)[O-])c1 ZINC000005753979 204224935 /nfs/dbraw/zinc/22/49/35/204224935.db2.gz QJCWNMFDBYSREG-SOFGYWHQSA-N 0 0 360.322 2.782 50 5 FFBARN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1n[nH]c2ccccc21 ZINC000005903588 204229338 /nfs/dbraw/zinc/22/93/38/204229338.db2.gz SBOKBTXMTZEPOW-UHFFFAOYSA-N 0 0 355.306 2.695 50 5 FFBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)NC1CC1 ZINC000007168662 204290324 /nfs/dbraw/zinc/29/03/24/204290324.db2.gz YNFJWFCJQXNKEG-UHFFFAOYSA-N 0 0 355.350 2.505 50 5 FFBARN CNS(=O)(=O)c1ccc(N2CCC[C@@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000007981799 204312527 /nfs/dbraw/zinc/31/25/27/204312527.db2.gz CSNDDISZFILDPE-CYBMUJFWSA-N 0 0 367.452 2.906 50 5 FFBARN C[C@H]1Oc2ccc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])cc2NC1=O ZINC000008014266 204315728 /nfs/dbraw/zinc/31/57/28/204315728.db2.gz ZGDNMUOFPATBPP-OALRPVAKSA-N 0 0 353.334 2.966 50 5 FFBARN O=C1NC(=S)NC1=Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000008324221 204326281 /nfs/dbraw/zinc/32/62/81/204326281.db2.gz FWVYBQDYOSOHBL-GHXNOFRVSA-N 0 0 359.338 2.871 50 5 FFBARN CN(CCOc1ccc(Cl)cc1)C(=O)COc1cccnc1[N+](=O)[O-] ZINC000007550241 204300235 /nfs/dbraw/zinc/30/02/35/204300235.db2.gz IMIOQDIXHNBTPJ-UHFFFAOYSA-N 0 0 365.773 2.559 50 5 FFBARN COc1ccc(-c2nonc2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000008916417 204349418 /nfs/dbraw/zinc/34/94/18/204349418.db2.gz PNONYFUWTZJWJU-UHFFFAOYSA-N 0 0 370.321 2.914 50 5 FFBARN COc1ccc(Cl)cc1C(=O)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000009690140 204378473 /nfs/dbraw/zinc/37/84/73/204378473.db2.gz QVGHMVYFTQMEMZ-AWEZNQCLSA-N 0 0 350.758 2.720 50 5 FFBARN COc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000010494626 204397419 /nfs/dbraw/zinc/39/74/19/204397419.db2.gz NNNGMAPTHJGQRD-NSHDSACASA-N 0 0 373.340 2.734 50 5 FFBARN CCOC(=O)c1c(C)[nH]c(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1C ZINC000012893770 204505864 /nfs/dbraw/zinc/50/58/64/204505864.db2.gz JTEJDUIGUYUOQM-UHFFFAOYSA-N 0 0 361.354 2.977 50 5 FFBARN O=C(CCc1nc2ccccc2[nH]c1=O)OCc1cccc([N+](=O)[O-])c1 ZINC000016320109 204634679 /nfs/dbraw/zinc/63/46/79/204634679.db2.gz OEKNYOLCMFYMKX-UHFFFAOYSA-N 0 0 353.334 2.507 50 5 FFBARN O=[N+]([O-])c1nn(Cc2nc(-c3ccsc3)no2)cc1Br ZINC000048628683 205165098 /nfs/dbraw/zinc/16/50/98/205165098.db2.gz SONUJYQLVDARHC-UHFFFAOYSA-N 0 0 356.161 2.714 50 5 FFBARN CCN(Cc1ccccc1)C(=O)CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000053464430 205193083 /nfs/dbraw/zinc/19/30/83/205193083.db2.gz IEHSFLSAJJWWSW-UHFFFAOYSA-N 0 0 355.394 2.682 50 5 FFBARN NC(=O)c1ccc(Nc2ccc(OC[C@@H]3CCCO3)cc2)c([N+](=O)[O-])c1 ZINC000058148257 205250362 /nfs/dbraw/zinc/25/03/62/205250362.db2.gz VEDYQMXHQJELIG-HNNXBMFYSA-N 0 0 357.366 2.995 50 5 FFBARN O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000067618750 205379001 /nfs/dbraw/zinc/37/90/01/205379001.db2.gz RDYFCQLBHFAJIO-MOPGFXCFSA-N 0 0 366.421 2.983 50 5 FFBARN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H](c1ccsc1)N(C)C ZINC000045809530 206079501 /nfs/dbraw/zinc/07/95/01/206079501.db2.gz IIVSGGGNFGENKZ-CQSZACIVSA-N 0 0 369.468 2.546 50 5 FFBARN O=C(COC(=O)c1ccc(O)cc1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000003272232 206158987 /nfs/dbraw/zinc/15/89/87/206158987.db2.gz YHFXSELUEKPMRQ-UHFFFAOYSA-N 0 0 350.714 2.749 50 5 FFBARN Cc1cc(OC(=O)c2ccc(Br)cc2)c([N+](=O)[O-])c(=O)[nH]1 ZINC000004248365 206172811 /nfs/dbraw/zinc/17/28/11/206172811.db2.gz UYEZBTTYQGXRFS-UHFFFAOYSA-N 0 0 353.128 2.573 50 5 FFBARN NC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])s2)sc2c1CCCC2 ZINC000004070298 206166705 /nfs/dbraw/zinc/16/67/05/206166705.db2.gz DYXDQEDGCDTXNW-UHFFFAOYSA-N 0 0 351.409 2.948 50 5 FFBARN C[C@H](OC(=O)c1n[nH]c2ccccc21)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000006506282 206202811 /nfs/dbraw/zinc/20/28/11/206202811.db2.gz FMJLYJXTKVPOKV-JTQLQIEISA-N 0 0 354.322 2.655 50 5 FFBARN O=C(OCCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000003505010 206235019 /nfs/dbraw/zinc/23/50/19/206235019.db2.gz NPXCVIODFSNHMU-UHFFFAOYSA-N 0 0 374.736 2.701 50 5 FFBARN Cn1c(CNC(=O)c2ccco2)nnc1SCc1ccc([N+](=O)[O-])cc1 ZINC000009582354 206248148 /nfs/dbraw/zinc/24/81/48/206248148.db2.gz IJBWMJPYYDOTGL-UHFFFAOYSA-N 0 0 373.394 2.539 50 5 FFBARN Cc1cc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1[N+](=O)[O-] ZINC000015197173 206314011 /nfs/dbraw/zinc/31/40/11/206314011.db2.gz GQAHTEMBVLNUTG-LBPRGKRZSA-N 0 0 362.407 2.798 50 5 FFBARN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCO[C@H](c2ccccc2)C1 ZINC000058166378 206395172 /nfs/dbraw/zinc/39/51/72/206395172.db2.gz HNCPGRDITIUZBF-SFHVURJKSA-N 0 0 356.378 2.964 50 5 FFBARN O=C1c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc(c23)C(=O)N1c1ccccn1 ZINC000095470745 132211515 /nfs/dbraw/zinc/21/15/15/132211515.db2.gz VRXPVHJJWUZPSA-UHFFFAOYSA-N 0 0 364.273 2.852 50 5 FFBARN CC(=O)N1CCN(c2cc(N3CCC(C)CC3)c(F)cc2[N+](=O)[O-])CC1 ZINC000003904566 132385930 /nfs/dbraw/zinc/38/59/30/132385930.db2.gz ONEUSTMWWNNONL-UHFFFAOYSA-N 0 0 364.421 2.639 50 5 FFBARN O=C(OCc1ccc([N+](=O)[O-])cc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000000828329 506235738 /nfs/dbraw/zinc/23/57/38/506235738.db2.gz ARGZMVPWRZEREV-ZDUSSCGKSA-N 0 0 358.325 2.830 50 5 FFBARN COc1cc(CN2CCN(Cc3ccco3)CC2)c([N+](=O)[O-])cc1OC ZINC000000865145 506237297 /nfs/dbraw/zinc/23/72/97/506237297.db2.gz ZLJVLZFHCHLOKD-UHFFFAOYSA-N 0 0 361.398 2.523 50 5 FFBARN COC(=O)c1ccccc1NC(=S)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000001171099 506251915 /nfs/dbraw/zinc/25/19/15/506251915.db2.gz LZRRTXQIBGWJGP-UHFFFAOYSA-N 0 0 359.363 2.508 50 5 FFBARN O=C(c1cccc([N+](=O)[O-])c1)N1NC2=C(CCCC2)[C@@]1(O)C(F)(F)F ZINC000001212554 506256104 /nfs/dbraw/zinc/25/61/04/506256104.db2.gz JMNAMCJDPQGZKJ-SMDDNHRTSA-N 0 0 357.288 2.848 50 5 FFBARN COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccc(C)c([N+](=O)[O-])c1 ZINC000001214796 506256402 /nfs/dbraw/zinc/25/64/02/506256402.db2.gz WKBPEDQFGAOFIG-UHFFFAOYSA-N 0 0 374.393 2.826 50 5 FFBARN O=[N+]([O-])c1ccc([C@@H](O)CN2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000001307397 506258503 /nfs/dbraw/zinc/25/85/03/506258503.db2.gz OPZYKJXPYQSPLO-XBGMYJNYSA-N 0 0 367.449 2.959 50 5 FFBARN Cc1ccc(NC(=O)[C@H](C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000032675829 506277102 /nfs/dbraw/zinc/27/71/02/506277102.db2.gz UJTYUPBZXLZKGS-NSHDSACASA-N 0 0 366.370 2.843 50 5 FFBARN COc1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000004740953 506392127 /nfs/dbraw/zinc/39/21/27/506392127.db2.gz MJYJNEUQTPMTJT-UHFFFAOYSA-N 0 0 355.394 2.874 50 5 FFBARN CC(C)(C)NC(=O)COC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000004839946 506398134 /nfs/dbraw/zinc/39/81/34/506398134.db2.gz ZTDCATMTVFXHLM-UHFFFAOYSA-N 0 0 363.414 2.657 50 5 FFBARN O=C(NCCCn1ccnc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000004864416 506400315 /nfs/dbraw/zinc/40/03/15/506400315.db2.gz LMDMQMDFNDHXEV-UHFFFAOYSA-N 0 0 357.414 2.602 50 5 FFBARN O=[N+]([O-])c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1 ZINC000005041405 506417006 /nfs/dbraw/zinc/41/70/06/506417006.db2.gz AIDXHLYYJXTFBK-UHFFFAOYSA-N 0 0 353.444 2.760 50 5 FFBARN C[C@@H]1C[C@@H](C)CN(c2nc(N3C[C@H](C)C[C@H](C)C3)nc(N)c2[N+](=O)[O-])C1 ZINC000005155903 506425173 /nfs/dbraw/zinc/42/51/73/506425173.db2.gz COZXRWRXROFHAP-SYQHCUMBSA-N 0 0 362.478 2.932 50 5 FFBARN O=[N+]([O-])c1ccc(N2CCN(C(=S)NCCc3ccccc3)CC2)cc1 ZINC000005572063 506450362 /nfs/dbraw/zinc/45/03/62/506450362.db2.gz NUTCUYQCHXRSRF-UHFFFAOYSA-N 0 0 370.478 2.834 50 5 FFBARN Cc1cc(C)n(-c2ccc(NC(=O)c3cc([N+](=O)[O-])cnc3C)cn2)n1 ZINC000040088988 506464632 /nfs/dbraw/zinc/46/46/32/506464632.db2.gz PWWJNTBFNXKBRG-UHFFFAOYSA-N 0 0 352.354 2.748 50 5 FFBARN O=[N+]([O-])c1cccc(NC(=S)N2CCN(c3ccccc3O)CC2)c1 ZINC000006402738 506481277 /nfs/dbraw/zinc/48/12/77/506481277.db2.gz KOUHCKAAEBIMHW-UHFFFAOYSA-N 0 0 358.423 2.819 50 5 FFBARN CN(Cc1cccc(F)c1)C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000009368752 506695680 /nfs/dbraw/zinc/69/56/80/506695680.db2.gz UYLVZJHOHSLXCF-UHFFFAOYSA-N 0 0 373.384 2.843 50 5 FFBARN CN(C)c1ccc(C(=O)NCCCn2cnc3ccccc32)cc1[N+](=O)[O-] ZINC000012489825 506870458 /nfs/dbraw/zinc/87/04/58/506870458.db2.gz GJPHYQPKTCQRKM-UHFFFAOYSA-N 0 0 367.409 2.831 50 5 FFBARN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)Cc2nccn2C(F)F)c1C ZINC000012535616 506875005 /nfs/dbraw/zinc/87/50/05/506875005.db2.gz UZDRLFRYYKSENF-UHFFFAOYSA-N 0 0 374.369 2.624 50 5 FFBARN Cc1c(NC(=O)CCn2cnc3sccc3c2=O)cccc1[N+](=O)[O-] ZINC000012738711 506894078 /nfs/dbraw/zinc/89/40/78/506894078.db2.gz CWXRIDQXUCFGOZ-UHFFFAOYSA-N 0 0 358.379 2.703 50 5 FFBARN Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000012795749 506903563 /nfs/dbraw/zinc/90/35/63/506903563.db2.gz KHRGZXBEYNEPQK-LJQANCHMSA-N 0 0 369.421 2.707 50 5 FFBARN O=C(CSc1nc[nH]n1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000013683982 506951200 /nfs/dbraw/zinc/95/12/00/506951200.db2.gz ZNKDXPIQQYCTLO-UHFFFAOYSA-N 0 0 362.396 2.567 50 5 FFBARN O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H](CN1CCOCC1)c1ccccc1 ZINC000017743619 507127991 /nfs/dbraw/zinc/12/79/91/507127991.db2.gz VCDWSEMBMCQXCZ-GOSISDBHSA-N 0 0 370.409 2.790 50 5 FFBARN CCCCOC[C@H](O)CN1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000019286097 507163034 /nfs/dbraw/zinc/16/30/34/507163034.db2.gz FDXAGIZWXPMQSZ-OAHLLOKOSA-N 0 0 371.865 2.548 50 5 FFBARN COc1cccc2c1O[C@]1(N3CCOCC3)CCCC[C@H]1[C@@H]2C[N+](=O)[O-] ZINC000020413945 507220370 /nfs/dbraw/zinc/22/03/70/507220370.db2.gz WZXCWLCTYQZXIV-JTDSTZFVSA-N 0 0 362.426 2.667 50 5 FFBARN CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)O[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000020945972 507240304 /nfs/dbraw/zinc/24/03/04/507240304.db2.gz KCWSYUXZDNFKOM-MRXNPFEDSA-N 0 0 356.294 2.742 50 5 FFBARN CC(=O)Oc1ccc(C2=NN(C(C)=O)[C@H](c3cccc([N+](=O)[O-])c3)O2)cc1 ZINC000021091265 507244068 /nfs/dbraw/zinc/24/40/68/507244068.db2.gz ALSRCGSHWIRCFQ-SFHVURJKSA-N 0 0 369.333 2.759 50 5 FFBARN CCOc1ccc(C(=O)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1OCC ZINC000024151652 507394038 /nfs/dbraw/zinc/39/40/38/507394038.db2.gz DOXHBQWXTLHPAS-INIZCTEOSA-N 0 0 374.393 2.856 50 5 FFBARN Cc1nn(CN2CCO[C@H](c3ccc(F)cc3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000072312377 507774853 /nfs/dbraw/zinc/77/48/53/507774853.db2.gz CGRBSCZKGPCJQX-KRWDZBQOSA-N 0 0 371.372 2.818 50 5 FFBARN O=[N+]([O-])c1c(NC[C@@H](c2ccccc2)N2CCOCC2)nc2ccccn21 ZINC000029525992 507781926 /nfs/dbraw/zinc/78/19/26/507781926.db2.gz MWVQZDVKVIMQHC-INIZCTEOSA-N 0 0 367.409 2.728 50 5 FFBARN CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000031195631 507818231 /nfs/dbraw/zinc/81/82/31/507818231.db2.gz PMPANTDRWDFWNV-UHFFFAOYSA-N 0 0 353.378 2.759 50 5 FFBARN CC[C@H](C)N(CC(=O)OC(C)(C)C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000089942263 507888078 /nfs/dbraw/zinc/88/80/78/507888078.db2.gz NKFICAAIQLJONM-NSHDSACASA-N 0 0 351.403 2.759 50 5 FFBARN COC(=O)C[C@@H](Cc1ccccc1)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000075092416 508081654 /nfs/dbraw/zinc/08/16/54/508081654.db2.gz AWEPGMLFTQBJLY-OAHLLOKOSA-N 0 0 357.366 2.891 50 5 FFBARN COc1cccc(-c2noc(CCNC(=O)c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000096293974 508212808 /nfs/dbraw/zinc/21/28/08/508212808.db2.gz KGVCOTZXYYVBDL-UHFFFAOYSA-N 0 0 368.349 2.626 50 5 FFBARN O=C(/C=C/c1ccccc1)NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000096276132 508213134 /nfs/dbraw/zinc/21/31/34/508213134.db2.gz PCXVLRYYYKLXOH-IZZDOVSWSA-N 0 0 350.334 2.974 50 5 FFBARN CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000261494122 534838952 /nfs/dbraw/zinc/83/89/52/534838952.db2.gz QIYZSWCPFRTMFX-UHFFFAOYSA-N 0 0 352.347 2.560 50 5 FFBARN Cc1noc(C)c1CN1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000047254155 570883741 /nfs/dbraw/zinc/88/37/41/570883741.db2.gz MFPDSDGXZDZHKU-FPLPWBNLSA-N 0 0 370.409 2.557 50 5 FFBARN Cc1c(CS(=O)(=O)CC(=O)N[C@H]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000048718156 570959272 /nfs/dbraw/zinc/95/92/72/570959272.db2.gz JYPFLKWDNVGMHW-DOMZBBRYSA-N 0 0 368.455 2.513 50 5 FFBARN O=C(C=Cc1ccccc1[N+](=O)[O-])OCC(=O)c1ccc2c(c1)OCO2 ZINC000033504630 992727700 /nfs/dbraw/zinc/72/77/00/992727700.db2.gz KFVPQYVRTCZARP-VURMDHGXSA-N 0 0 355.302 2.763 50 5 FFBARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)OCC(=O)N1CCc2ccccc2C1 ZINC000035684401 1020108859 /nfs/dbraw/zinc/10/88/59/1020108859.db2.gz DEVFHOLIBHSKAY-HJWRWDBZSA-N 0 0 366.373 2.736 50 5 FFBARN CCn1c(SCC(=O)NC(C)(C)C)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000001124393 219374798 /nfs/dbraw/zinc/37/47/98/219374798.db2.gz FVTJOMLVVPMXPL-UHFFFAOYSA-N 0 0 363.443 2.880 50 5 FFBARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000000628568 203936145 /nfs/dbraw/zinc/93/61/45/203936145.db2.gz RSTVYACYSIEKFX-QGZVFWFLSA-N 0 0 374.393 2.954 50 5 FFBARN Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)NC1CCCCCC1 ZINC000001430029 204006498 /nfs/dbraw/zinc/00/64/98/204006498.db2.gz RAWGQAVPMQVBSV-UHFFFAOYSA-N 0 0 359.224 2.701 50 5 FFBARN CC(C)OP(=O)(OC(C)C)c1ncn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000001633277 204014797 /nfs/dbraw/zinc/01/47/97/204014797.db2.gz OATAHRIDEFAELC-UHFFFAOYSA-N 0 0 354.303 2.844 50 5 FFBARN O=C(CCC(=O)OCC(=O)c1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000002062848 204025146 /nfs/dbraw/zinc/02/51/46/204025146.db2.gz LZRYCFPYPDIDDD-UHFFFAOYSA-N 0 0 356.334 2.740 50 5 FFBARN COC(=O)c1sccc1NC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000002084704 204025904 /nfs/dbraw/zinc/02/59/04/204025904.db2.gz ROIUWRRTHUCPCS-UHFFFAOYSA-N 0 0 351.296 2.603 50 5 FFBARN CC(=O)N(C)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000002131817 204027589 /nfs/dbraw/zinc/02/75/89/204027589.db2.gz VAAPQXHMULFLHI-UHFFFAOYSA-N 0 0 358.310 2.738 50 5 FFBARN Nc1nc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)nn1-c1ccccc1 ZINC000002249147 204029968 /nfs/dbraw/zinc/02/99/68/204029968.db2.gz UGKCLDMCDCYWQF-UHFFFAOYSA-N 0 0 358.745 2.663 50 5 FFBARN CC(C)NC(=O)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=O ZINC000003138262 204079977 /nfs/dbraw/zinc/07/99/77/204079977.db2.gz YLZIHVNLRROJJE-UHFFFAOYSA-N 0 0 355.306 2.853 50 5 FFBARN COc1cc(Cl)c(C)cc1NC(=O)COc1cccnc1[N+](=O)[O-] ZINC000002639468 204047822 /nfs/dbraw/zinc/04/78/22/204047822.db2.gz HWZOIEYHUFELBR-UHFFFAOYSA-N 0 0 351.746 2.978 50 5 FFBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cnn(Cc2ccccc2)c1 ZINC000002761847 204056211 /nfs/dbraw/zinc/05/62/11/204056211.db2.gz MCHZSEMOURFORJ-UHFFFAOYSA-N 0 0 352.350 2.857 50 5 FFBARN CCCCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1 ZINC000002813942 204060953 /nfs/dbraw/zinc/06/09/53/204060953.db2.gz BUULPQBWZJYAOT-QINSGFPZSA-N 0 0 357.366 2.875 50 5 FFBARN O=C1OCC2=C1[C@H](c1ccccc1[N+](=O)[O-])c1cc3c(cc1N2)OCO3 ZINC000004052197 204119118 /nfs/dbraw/zinc/11/91/18/204119118.db2.gz HQXKDBWLBLPDJV-MRXNPFEDSA-N 0 0 352.302 2.692 50 5 FFBARN O=C(Nc1ccc([N+](=O)[O-])cc1I)C(F)(F)F ZINC000004099315 204121063 /nfs/dbraw/zinc/12/10/63/204121063.db2.gz FKYQJXBMNHFFFV-UHFFFAOYSA-N 0 0 360.029 2.700 50 5 FFBARN COC(=O)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc(C(=O)OC)c1 ZINC000004600591 204150988 /nfs/dbraw/zinc/15/09/88/204150988.db2.gz HVRTWDHQPUCLGO-UHFFFAOYSA-N 0 0 372.333 2.729 50 5 FFBARN COc1ccc(CNC(=O)CSc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000004678364 204153911 /nfs/dbraw/zinc/15/39/11/204153911.db2.gz MIQZNMYNARHLNU-UHFFFAOYSA-N 0 0 372.406 2.888 50 5 FFBARN O=C(CCc1nc2ccccc2c(=O)[nH]1)OCc1ccc([N+](=O)[O-])cc1 ZINC000004251221 204128804 /nfs/dbraw/zinc/12/88/04/204128804.db2.gz DPYLWNYNBABBAY-UHFFFAOYSA-N 0 0 353.334 2.507 50 5 FFBARN CC(C)NC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 ZINC000004482686 204141644 /nfs/dbraw/zinc/14/16/44/204141644.db2.gz IACVFWKBAJGTAT-SFQUDFHCSA-N 0 0 353.378 2.890 50 5 FFBARN Cn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1cccnc1 ZINC000004976612 204182528 /nfs/dbraw/zinc/18/25/28/204182528.db2.gz JISRFEBMBDSCRV-UHFFFAOYSA-N 0 0 370.394 2.516 50 5 FFBARN CC(=O)Nc1ccc(Nc2cc(N(C)C)c3nonc3c2[N+](=O)[O-])cc1 ZINC000005024987 204184795 /nfs/dbraw/zinc/18/47/95/204184795.db2.gz OHGOZWHDNQTWEX-UHFFFAOYSA-N 0 0 356.342 2.899 50 5 FFBARN COC(=O)c1cc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc(C(=O)OC)c1 ZINC000005060497 204189234 /nfs/dbraw/zinc/18/92/34/204189234.db2.gz OZQRBBILPCXXPL-UHFFFAOYSA-N 0 0 373.321 2.812 50 5 FFBARN Cc1ccc2nc(COC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc(=O)n2c1 ZINC000005185882 204195191 /nfs/dbraw/zinc/19/51/91/204195191.db2.gz ZXDYQPPCTPHLCZ-UHFFFAOYSA-N 0 0 373.752 2.922 50 5 FFBARN CCN(CC)S(=O)(=O)c1ccc(Sc2nccn2C)c([N+](=O)[O-])c1 ZINC000006160155 204240017 /nfs/dbraw/zinc/24/00/17/204240017.db2.gz UAUZMOGAUBNVEZ-UHFFFAOYSA-N 0 0 370.456 2.510 50 5 FFBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)OCC(=O)Nc1cccnc1Cl ZINC000006321686 204244753 /nfs/dbraw/zinc/24/47/53/204244753.db2.gz ZNEOLJKRYIIRGL-VOTSOKGWSA-N 0 0 361.741 2.838 50 5 FFBARN CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000006602493 204256047 /nfs/dbraw/zinc/25/60/47/204256047.db2.gz BFTBIOIFUYLBSI-UHFFFAOYSA-N 0 0 359.357 2.512 50 5 FFBARN CN(Cc1ccc(OC(F)F)cc1)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000007985037 204313041 /nfs/dbraw/zinc/31/30/41/204313041.db2.gz OESPBMKIHLQOEC-UHFFFAOYSA-N 0 0 351.309 2.932 50 5 FFBARN O=C(CCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCc2ccccc2C1 ZINC000008914678 204348844 /nfs/dbraw/zinc/34/88/44/204348844.db2.gz RCQVKPUGYYGMCK-UHFFFAOYSA-N 0 0 350.378 2.989 50 5 FFBARN O=C1C[C@H](c2cccc([N+](=O)[O-])c2)c2c(=O)[nH]c(-c3ccccc3)nc2N1 ZINC000009165041 204356410 /nfs/dbraw/zinc/35/64/10/204356410.db2.gz HGUFKOZVHWBHQM-CQSZACIVSA-N 0 0 362.345 2.819 50 5 FFBARN Cn1ccnc1[C@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000009367241 204365788 /nfs/dbraw/zinc/36/57/88/204365788.db2.gz NFOLPKLEDLMHRR-MRXNPFEDSA-N 0 0 369.356 2.768 50 5 FFBARN COc1ccc(Cl)cc1C(=O)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000009690141 204378239 /nfs/dbraw/zinc/37/82/39/204378239.db2.gz QVGHMVYFTQMEMZ-CQSZACIVSA-N 0 0 350.758 2.720 50 5 FFBARN COc1ccc(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cn1 ZINC000014900217 204590353 /nfs/dbraw/zinc/59/03/53/204590353.db2.gz MDHKLJWQCMSZHI-UHFFFAOYSA-N 0 0 373.412 2.875 50 5 FFBARN COc1ccc(-c2noc(CCNC(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000035681722 204998048 /nfs/dbraw/zinc/99/80/48/204998048.db2.gz WZIAQKWODSJCER-UHFFFAOYSA-N 0 0 368.349 2.626 50 5 FFBARN O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H](CN1CCCC1=O)c1ccccc1 ZINC000048277514 205154323 /nfs/dbraw/zinc/15/43/23/205154323.db2.gz DLUXTFMJHAZUPC-KRWDZBQOSA-N 0 0 367.405 2.617 50 5 FFBARN CC(C)N(C(=O)Cn1cc(Br)c([N+](=O)[O-])n1)c1ccccc1 ZINC000054919572 205202752 /nfs/dbraw/zinc/20/27/52/205202752.db2.gz ZOAZGQYPLSSGFQ-UHFFFAOYSA-N 0 0 367.203 2.995 50 5 FFBARN COc1ccc(C(=O)NCCOc2ccc3c(c2)CCC3)cc1[N+](=O)[O-] ZINC000056008710 205227131 /nfs/dbraw/zinc/22/71/31/205227131.db2.gz PWQCHRLIIJNVMT-UHFFFAOYSA-N 0 0 356.378 2.901 50 5 FFBARN O=[N+]([O-])c1cc(Cc2cc([N+](=O)[O-])cc3c2OCOC3)c2c(c1)COCO2 ZINC000004387833 206174991 /nfs/dbraw/zinc/17/49/91/206174991.db2.gz IYGSOQZPRYJJID-UHFFFAOYSA-N 0 0 374.305 2.827 50 5 FFBARN CC(C)OC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000003947409 206165229 /nfs/dbraw/zinc/16/52/29/206165229.db2.gz VSONEXZIURGMNX-UHFFFAOYSA-N 0 0 364.379 2.961 50 5 FFBARN Cc1[nH]c2ccccc2c1C(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O ZINC000004515801 206179058 /nfs/dbraw/zinc/17/90/58/206179058.db2.gz VEKVCZKEGZKMAT-UHFFFAOYSA-N 0 0 362.345 2.977 50 5 FFBARN O=C(CCCNC(=O)NC1CCCCC1)NCc1ccccc1[N+](=O)[O-] ZINC000053867201 206320886 /nfs/dbraw/zinc/32/08/86/206320886.db2.gz NLNUZHXCSCZEFG-UHFFFAOYSA-N 0 0 362.430 2.623 50 5 FFBARN CCOc1ccc(C(=O)N2CCC[C@@H](c3nc(C)no3)C2)cc1[N+](=O)[O-] ZINC000054663532 206335987 /nfs/dbraw/zinc/33/59/87/206335987.db2.gz DGJPDDPBQLPGSY-CYBMUJFWSA-N 0 0 360.370 2.705 50 5 FFBARN O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1ccccc1-n1cccn1 ZINC000058014413 206391518 /nfs/dbraw/zinc/39/15/18/206391518.db2.gz XMLMPLMMSMUHJR-UHFFFAOYSA-N 0 0 356.313 2.937 50 5 FFBARN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC1 ZINC000097107791 132227705 /nfs/dbraw/zinc/22/77/05/132227705.db2.gz BQEWZZCEKPLKQB-YJLNNSPDSA-N 0 0 373.453 2.674 50 5 FFBARN COc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000000821772 132252053 /nfs/dbraw/zinc/25/20/53/132252053.db2.gz PPWSTGVNXGEKHM-UHFFFAOYSA-N 0 0 357.366 2.692 50 5 FFBARN COc1ccc(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)c([N+](=O)[O-])c1 ZINC000014128894 132872963 /nfs/dbraw/zinc/87/29/63/132872963.db2.gz ACUOGCBGVDPVMQ-UHFFFAOYSA-N 0 0 368.349 2.725 50 5 FFBARN Cn1c(C2CC2)nn(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1=S ZINC000054516188 136125521 /nfs/dbraw/zinc/12/55/21/136125521.db2.gz WHMKUGGDEOQLCQ-UHFFFAOYSA-N 0 0 374.470 2.516 50 5 FFBARN O=[N+]([O-])c1cc2c(cc1CN1CCN(c3ccccc3F)CC1)OCO2 ZINC000055543862 136126996 /nfs/dbraw/zinc/12/69/96/136126996.db2.gz NWLSYTXOZRHQNV-UHFFFAOYSA-N 0 0 359.357 2.785 50 5 FFBARN O=[N+]([O-])c1c(F)cccc1N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000060564925 136132362 /nfs/dbraw/zinc/13/23/62/136132362.db2.gz GINWAUVOJZSGLN-UHFFFAOYSA-N 0 0 357.385 2.991 50 5 FFBARN COc1ccc(CN2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cc1OC ZINC000000865234 506237383 /nfs/dbraw/zinc/23/73/83/506237383.db2.gz SEOAUWSQSIANOK-UHFFFAOYSA-N 0 0 371.437 2.930 50 5 FFBARN Cc1cccc(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 ZINC000000850450 506237399 /nfs/dbraw/zinc/23/73/99/506237399.db2.gz XBNUCSFWFSWJLX-UHFFFAOYSA-N 0 0 353.334 2.528 50 5 FFBARN C[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O ZINC000000947368 506240625 /nfs/dbraw/zinc/24/06/25/506240625.db2.gz YHOVPIUQSVDYHH-VIFPVBQESA-N 0 0 373.752 2.871 50 5 FFBARN COc1cc(/C=C/[N+](=O)[O-])ccc1OC(=O)[C@H]1COc2ccccc2O1 ZINC000000943470 506240792 /nfs/dbraw/zinc/24/07/92/506240792.db2.gz WPWDBNBDESFBDS-KBOKABMXSA-N 0 0 357.318 2.688 50 5 FFBARN COc1ccccc1[C@H]1c2c(c3ccccc3oc2=O)OC(N)=C1[N+](=O)[O-] ZINC000000989291 506242083 /nfs/dbraw/zinc/24/20/83/506242083.db2.gz WSGCDVOWKYOSPM-AWEZNQCLSA-N 0 0 366.329 2.730 50 5 FFBARN O=C1NC(=S)NC1=Cc1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000000993806 506242595 /nfs/dbraw/zinc/24/25/95/506242595.db2.gz KKMUVOQRACFRHO-OQLLNIDSSA-N 0 0 355.375 2.930 50 5 FFBARN O=C(N/C(=C/c1cccc([N+](=O)[O-])c1)C(=O)N1CCCCC1)c1ccco1 ZINC000001216869 506255813 /nfs/dbraw/zinc/25/58/13/506255813.db2.gz CKCZLBLFKLPAKD-DTQAZKPQSA-N 0 0 369.377 2.971 50 5 FFBARN O=C(NCc1cccnc1OCC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000033108473 506337494 /nfs/dbraw/zinc/33/74/94/506337494.db2.gz NQDYEUWMOKXCEV-UHFFFAOYSA-N 0 0 355.272 2.861 50 5 FFBARN COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccc([N+](=O)[O-])cc2)N1 ZINC000034792220 506369511 /nfs/dbraw/zinc/36/95/11/506369511.db2.gz PMTFLAWFQMHLPS-IRXDYDNUSA-N 0 0 351.362 2.853 50 5 FFBARN Cc1ccc(C(=O)N2CCSc3nnc(-c4ccco4)n32)cc1[N+](=O)[O-] ZINC000034927722 506373959 /nfs/dbraw/zinc/37/39/59/506373959.db2.gz NQKYJXSXWJRLST-UHFFFAOYSA-N 0 0 371.378 2.639 50 5 FFBARN Cc1ccc(C)c(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000004749379 506393231 /nfs/dbraw/zinc/39/32/31/506393231.db2.gz CTPBKHJTCYHDFF-UHFFFAOYSA-N 0 0 369.421 2.939 50 5 FFBARN COc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)c1 ZINC000004978280 506411396 /nfs/dbraw/zinc/41/13/96/506411396.db2.gz CUWVPDCPBIMKTB-UHFFFAOYSA-N 0 0 370.409 2.608 50 5 FFBARN C[C@H]1C(=O)N(c2ccccc2F)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000037521834 506427512 /nfs/dbraw/zinc/42/75/12/506427512.db2.gz VWDFQILPHDOANP-LBPRGKRZSA-N 0 0 357.341 2.611 50 5 FFBARN O=[N+]([O-])c1cccc(NC(=S)N2CCN(c3ccc(O)cc3)CC2)c1 ZINC000006402383 506481006 /nfs/dbraw/zinc/48/10/06/506481006.db2.gz QLAXRNWNSSSZDN-UHFFFAOYSA-N 0 0 358.423 2.819 50 5 FFBARN COC(=O)c1cc(C(=O)N2CCCc3cc(OC)ccc32)cc([N+](=O)[O-])c1 ZINC000010541990 506746527 /nfs/dbraw/zinc/74/65/27/506746527.db2.gz COKFIRZPKWZMCL-UHFFFAOYSA-N 0 0 370.361 2.983 50 5 FFBARN CC(C)OC(=O)Oc1c([N+](=O)[O-])cc(N2CCCC2=O)cc1[N+](=O)[O-] ZINC000012382703 506858082 /nfs/dbraw/zinc/85/80/82/506858082.db2.gz RNNKZTYHDCABGX-UHFFFAOYSA-N 0 0 353.287 2.554 50 5 FFBARN CCN(CC)c1nc(O)c(CC(=O)Nc2ccc(C)cc2[N+](=O)[O-])s1 ZINC000012687113 506890387 /nfs/dbraw/zinc/89/03/87/506890387.db2.gz FDKBBGVSPBVJBT-ZDUSSCGKSA-N 0 0 364.427 2.572 50 5 FFBARN COC(=O)C1(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CCCCCC1 ZINC000012904823 506913908 /nfs/dbraw/zinc/91/39/08/506913908.db2.gz PRRPRPDKDLXKNC-UHFFFAOYSA-N 0 0 350.371 2.599 50 5 FFBARN Cc1cc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)ccc1[N+](=O)[O-] ZINC000013020711 506924489 /nfs/dbraw/zinc/92/44/89/506924489.db2.gz XTUOVIDMQRVGEU-UHFFFAOYSA-N 0 0 369.377 2.628 50 5 FFBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000014244530 506982068 /nfs/dbraw/zinc/98/20/68/506982068.db2.gz VPWPYODOZMHJJG-OAHLLOKOSA-N 0 0 353.378 2.890 50 5 FFBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCCCC2)nc1 ZINC000045810293 507026539 /nfs/dbraw/zinc/02/65/39/507026539.db2.gz YZGBAMJOWXLJSK-UHFFFAOYSA-N 0 0 356.382 2.998 50 5 FFBARN O=C(c1ccc2nsnc2c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000015936493 507066213 /nfs/dbraw/zinc/06/62/13/507066213.db2.gz IYNIRWDQHUXROA-UHFFFAOYSA-N 0 0 369.406 2.562 50 5 FFBARN Cc1cccc(N2CCN(C(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)CC2)c1 ZINC000016280859 507080655 /nfs/dbraw/zinc/08/06/55/507080655.db2.gz KWARMVKEMNGSDY-UHFFFAOYSA-N 0 0 368.437 2.932 50 5 FFBARN Cc1nn(Cc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)c(C)c1[N+](=O)[O-] ZINC000017824641 507128208 /nfs/dbraw/zinc/12/82/08/507128208.db2.gz QBNSSDGKSSNULY-BETUJISGSA-N 0 0 372.425 2.706 50 5 FFBARN COc1ccc(C(=O)Nc2ccc(CN3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000019683079 507189485 /nfs/dbraw/zinc/18/94/85/507189485.db2.gz LXCCQIBSZWZFQJ-UHFFFAOYSA-N 0 0 371.393 2.688 50 5 FFBARN CC(C)C(=O)Nc1cccc(CNc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000024211432 507398533 /nfs/dbraw/zinc/39/85/33/507398533.db2.gz MMMRNQUFQKPTNE-UHFFFAOYSA-N 0 0 356.382 2.900 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cc(Cl)c[nH]1 ZINC000025195007 507474490 /nfs/dbraw/zinc/47/44/90/507474490.db2.gz BUODJUIPDNTZDV-MRVPVSSYSA-N 0 0 367.745 2.769 50 5 FFBARN O=C(NC1CCN(Cc2ccc(F)c(F)c2)CC1)c1ccc([N+](=O)[O-])o1 ZINC000072012134 507734385 /nfs/dbraw/zinc/73/43/85/507734385.db2.gz WYOYVGQTNIGPEY-UHFFFAOYSA-N 0 0 365.336 2.860 50 5 FFBARN COc1ccccc1CNC(=O)c1c[nH]nc1-c1ccc([N+](=O)[O-])cc1 ZINC000072329376 507776363 /nfs/dbraw/zinc/77/63/63/507776363.db2.gz UZJVWYWCJDNNCS-UHFFFAOYSA-N 0 0 352.350 2.924 50 5 FFBARN CNC(=O)c1ccc(/C=C/C(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000029888281 507794279 /nfs/dbraw/zinc/79/42/79/507794279.db2.gz IGFVUJQTZMPSFZ-RUDMXATFSA-N 0 0 351.362 2.557 50 5 FFBARN O=C(C1CC1)N1CCC[C@@H](C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000074017535 507977112 /nfs/dbraw/zinc/97/71/12/507977112.db2.gz OGQLWOMJXDKHIG-OAHLLOKOSA-N 0 0 357.410 2.523 50 5 FFBARN O=C(c1ccncc1)N1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000095430351 508185328 /nfs/dbraw/zinc/18/53/28/508185328.db2.gz YBNJBOSFDFGBLZ-UHFFFAOYSA-N 0 0 360.801 2.601 50 5 FFBARN COc1ccc([N+](=O)[O-])c(N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)c1 ZINC000170664050 509707592 /nfs/dbraw/zinc/70/75/92/509707592.db2.gz AKLMTCGIMJQNNS-WOJBJXKFSA-N 0 0 369.421 2.693 50 5 FFBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnnn1-c1ccccc1 ZINC000001109129 526080981 /nfs/dbraw/zinc/08/09/81/526080981.db2.gz IQQZHUCKGRNHRY-UHFFFAOYSA-N 0 0 370.394 2.610 50 5 FFBARN CC(C)(C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000029530850 535024646 /nfs/dbraw/zinc/02/46/46/535024646.db2.gz FJRMYHJDUIIBEM-UHFFFAOYSA-N 0 0 354.410 2.616 50 5 FFBARN O=C(CC1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1)N1CCCC1 ZINC000048272103 570939802 /nfs/dbraw/zinc/93/98/02/570939802.db2.gz GBZCNUKQYPJUOM-UHFFFAOYSA-N 0 0 371.441 2.627 50 5 FFBARN CC(=O)Oc1ccc(/C=C2/N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1 ZINC000001228335 1014465105 /nfs/dbraw/zinc/46/51/05/1014465105.db2.gz YASKABTXXUBIFJ-MHWRWJLKSA-N 0 0 352.302 2.865 50 5 FFBARN CCOCCCNC(=O)/C=C\c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000096991160 1012531129 /nfs/dbraw/zinc/53/11/29/1012531129.db2.gz AZMPNTOBRRHADJ-WAYWQWQTSA-N 0 0 374.340 2.761 50 5 FFBARN CCCN1c2ccccc2[C@](O)(CC(=O)c2ccccc2[N+](=O)[O-])C1=O ZINC000001051964 219359372 /nfs/dbraw/zinc/35/93/72/219359372.db2.gz VGFOBZZATXMFBE-LJQANCHMSA-N 0 0 354.362 2.812 50 5 FFBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCn1cnc2ccccc2c1=O ZINC000001071747 219364189 /nfs/dbraw/zinc/36/41/89/219364189.db2.gz KCYVTDKPXCTYBO-UHFFFAOYSA-N 0 0 352.350 2.642 50 5 FFBARN C[C@@H](C(=O)Nc1cccc(Cl)c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000001150575 219381361 /nfs/dbraw/zinc/38/13/61/219381361.db2.gz GDJHZUVANXIYDW-VIFPVBQESA-N 0 0 373.752 2.871 50 5 FFBARN CC(C)COCCCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000013010502 209575982 /nfs/dbraw/zinc/57/59/82/209575982.db2.gz YVOZOEUDIXMLAT-UHFFFAOYSA-N 0 0 350.824 2.589 50 5 FFBARN O=C(CNc1ccccc1C(=O)NC1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000010755583 209555078 /nfs/dbraw/zinc/55/50/78/209555078.db2.gz OPLPRWGKFHKGJN-UHFFFAOYSA-N 0 0 354.366 2.538 50 5 FFBARN C[C@@H](OC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cn1 ZINC000005958623 219706754 /nfs/dbraw/zinc/70/67/54/219706754.db2.gz GBQZZGVPOPOBIC-SNVBAGLBSA-N 0 0 363.757 2.756 50 5 FFBARN Cc1c(C(=O)N[C@H]2CC(=O)N(c3cccc(F)c3)C2)cccc1[N+](=O)[O-] ZINC000004497318 209421859 /nfs/dbraw/zinc/42/18/59/209421859.db2.gz PTCLITYSUNXEPJ-ZDUSSCGKSA-N 0 0 357.341 2.578 50 5 FFBARN C[C@@H]1C(=O)N(CCOc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(F)cc1 ZINC000047349481 209328328 /nfs/dbraw/zinc/32/83/28/209328328.db2.gz GFSCMROHRBAVHR-GFCCVEGCSA-N 0 0 373.340 2.970 50 5 FFBARN CCCCCn1c(=N)c(C(=O)OCC)cc2c1nc1c(C)cccn1c2=O ZINC000101087575 209220600 /nfs/dbraw/zinc/22/06/00/209220600.db2.gz VQFZSNNOGQAEKZ-UHFFFAOYSA-N 0 0 368.437 2.804 50 5 FFBARN COc1ccc(C2=Nc3nnnn3[C@H](c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000101087620 209220739 /nfs/dbraw/zinc/22/07/39/209220739.db2.gz DQJDCGNUPMGCGZ-INIZCTEOSA-N 0 0 350.338 2.646 50 5 FFBARN Cc1ccc2c(c1)nc1c3ccc4c(=O)oc(=O)c5ccc(c(=O)n21)c3c45 ZINC000097950561 209201025 /nfs/dbraw/zinc/20/10/25/209201025.db2.gz VWBFHWFMEALUDS-UHFFFAOYSA-N 0 0 354.321 2.805 50 5 FFBARN Cc1cc2nnc(SCc3nc4cc([N+](=O)[O-])ccc4[nH]3)n2c(C)n1 ZINC000097165100 209174731 /nfs/dbraw/zinc/17/47/31/209174731.db2.gz IBTOIUJETPGVJD-UHFFFAOYSA-N 0 0 355.383 2.818 50 5 FFBARN Cc1ccc(C(=O)NCCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000096279049 209149222 /nfs/dbraw/zinc/14/92/22/209149222.db2.gz SBWOBLDNIJIEIN-UHFFFAOYSA-N 0 0 352.350 2.926 50 5 FFBARN O=C(N/C(=C/c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC1)c1ccccc1 ZINC000001194888 206866925 /nfs/dbraw/zinc/86/69/25/206866925.db2.gz KUSFAJOPBXPJAF-NBVRZTHBSA-N 0 0 365.389 2.988 50 5 FFBARN COc1cc(C=O)ccc1OS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000003219635 206959958 /nfs/dbraw/zinc/95/99/58/206959958.db2.gz IOQRQPPHPBAQKJ-UHFFFAOYSA-N 0 0 371.754 2.837 50 5 FFBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnnn1-c1ccccc1 ZINC000004827355 207052951 /nfs/dbraw/zinc/05/29/51/207052951.db2.gz IKIUNRYINPHODS-UHFFFAOYSA-N 0 0 370.394 2.610 50 5 FFBARN O=[N+]([O-])c1nn(-c2ccccc2)[n+]([O-])c1NCc1ccc(F)cc1Cl ZINC000004971287 207067438 /nfs/dbraw/zinc/06/74/38/207067438.db2.gz RBXPQYNWSONQRP-UHFFFAOYSA-N 0 0 363.736 2.819 50 5 FFBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1CC(=O)O[C@]12CCOC(C)(C)C2 ZINC000005024680 207073038 /nfs/dbraw/zinc/07/30/38/207073038.db2.gz WPPNCEUAUFTUKU-UGSOOPFHSA-N 0 0 362.382 2.733 50 5 FFBARN O=C(C[C@]1(O)C(=O)Nc2ccc([N+](=O)[O-])cc21)c1ccc(Cl)s1 ZINC000005049722 207076569 /nfs/dbraw/zinc/07/65/69/207076569.db2.gz HPOVKSAVNSBYHX-CQSZACIVSA-N 0 0 352.755 2.722 50 5 FFBARN CCOC(=O)C(=CNc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000005128783 207083600 /nfs/dbraw/zinc/08/36/00/207083600.db2.gz VEQFMSJFMCVNIE-VBKFSLOCSA-N 0 0 355.350 2.841 50 5 FFBARN COc1ccc(COC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1F ZINC000005391166 207098168 /nfs/dbraw/zinc/09/81/68/207098168.db2.gz WIOXHOXLLRLRFH-UHFFFAOYSA-N 0 0 363.297 2.871 50 5 FFBARN COc1cc(CC(=O)OCc2cccc([N+](=O)[O-])c2)cc(OC)c1OC ZINC000005559477 207106363 /nfs/dbraw/zinc/10/63/63/207106363.db2.gz UPRKPSAHQOGGEA-UHFFFAOYSA-N 0 0 361.350 2.907 50 5 FFBARN Cc1c(Cl)cc(S(=O)(=O)N[C@H](C)c2ccccn2)cc1[N+](=O)[O-] ZINC000007364749 207193645 /nfs/dbraw/zinc/19/36/45/207193645.db2.gz OABATWFTLJKKCY-SNVBAGLBSA-N 0 0 355.803 2.991 50 5 FFBARN Cc1cc(O[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)ccc1[N+](=O)[O-] ZINC000008257027 207225952 /nfs/dbraw/zinc/22/59/52/207225952.db2.gz LQZGPOMKNGREIL-LBPRGKRZSA-N 0 0 355.350 2.656 50 5 FFBARN O=C(NC1CC1)c1ccc(NCc2cn3ccccc3n2)c([N+](=O)[O-])c1 ZINC000009156651 207260291 /nfs/dbraw/zinc/26/02/91/207260291.db2.gz UUVOMQKXAKXEKC-UHFFFAOYSA-N 0 0 351.366 2.747 50 5 FFBARN O=C(CSc1n[nH]c(-c2ccccc2)n1)Nc1ncc([N+](=O)[O-])s1 ZINC000010231582 207297624 /nfs/dbraw/zinc/29/76/24/207297624.db2.gz QFQSSZDCDSJDPC-UHFFFAOYSA-N 0 0 362.396 2.567 50 5 FFBARN O=c1c2cc(Cl)ccc2ncn1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000009883950 207289697 /nfs/dbraw/zinc/28/96/97/207289697.db2.gz SVPAKNMNHIIABL-UHFFFAOYSA-N 0 0 373.752 2.873 50 5 FFBARN COc1ccccc1OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000010964102 207308455 /nfs/dbraw/zinc/30/84/55/207308455.db2.gz LOMQYZJSGCXBSZ-UHFFFAOYSA-N 0 0 374.349 2.782 50 5 FFBARN Cc1ccc(OCC(=O)Nc2cccc(C(=O)NC3CC3)c2)c([N+](=O)[O-])c1 ZINC000011066547 207309553 /nfs/dbraw/zinc/30/95/53/207309553.db2.gz FTZHHKRKJYJFSR-UHFFFAOYSA-N 0 0 369.377 2.813 50 5 FFBARN Nc1ccc([N+](=O)[O-])cc1C(=O)OCc1nc(-c2ccc(F)cc2)no1 ZINC000012557587 207393570 /nfs/dbraw/zinc/39/35/70/207393570.db2.gz RMWYNKBHJPDBNM-UHFFFAOYSA-N 0 0 358.285 2.723 50 5 FFBARN COc1ccc(C)cc1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000032740719 208036770 /nfs/dbraw/zinc/03/67/70/208036770.db2.gz MCMYMLMTVSKKLF-UHFFFAOYSA-N 0 0 358.350 2.864 50 5 FFBARN COC(=O)c1ccc(F)c(NC(=O)CCNc2ccccc2[N+](=O)[O-])c1 ZINC000032903240 208053907 /nfs/dbraw/zinc/05/39/07/208053907.db2.gz CQKIOTOWTFMJMJ-UHFFFAOYSA-N 0 0 361.329 2.961 50 5 FFBARN COc1ccc(-c2cc(OCC(N)=O)c3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000032951299 208059714 /nfs/dbraw/zinc/05/97/14/208059714.db2.gz FCRLUHUZSXQZEJ-UHFFFAOYSA-N 0 0 353.334 2.683 50 5 FFBARN O=C(NCCc1nc(-c2ccc(F)cc2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000035673125 208134887 /nfs/dbraw/zinc/13/48/87/208134887.db2.gz IHZNRVVBFGALOX-UHFFFAOYSA-N 0 0 356.313 2.756 50 5 FFBARN NC(=O)c1cc([N+](=O)[O-])cnc1NCc1ccc(OC(F)(F)F)cc1 ZINC000040083064 208223345 /nfs/dbraw/zinc/22/33/45/208223345.db2.gz UCSPEGVGMQFVBB-UHFFFAOYSA-N 0 0 356.260 2.599 50 5 FFBARN O=C(NCc1ccnc(-n2cccn2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000040081253 208223913 /nfs/dbraw/zinc/22/39/13/208223913.db2.gz AWFJQSZZCJRVOM-UHFFFAOYSA-N 0 0 357.757 2.759 50 5 FFBARN CC[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1OC(F)F ZINC000040089082 208226240 /nfs/dbraw/zinc/22/62/40/208226240.db2.gz VNBMWHYJTJZHOU-LBPRGKRZSA-N 0 0 354.313 2.660 50 5 FFBARN Cc1c(F)cc(C(=O)NCc2cccnc2-n2cccn2)cc1[N+](=O)[O-] ZINC000058423333 208585139 /nfs/dbraw/zinc/58/51/39/208585139.db2.gz BFPNTGGBVSYJIB-UHFFFAOYSA-N 0 0 355.329 2.553 50 5 FFBARN Cc1nn(C)c(NC[C@@H](O)COc2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000058244797 208573837 /nfs/dbraw/zinc/57/38/37/208573837.db2.gz UXPKNTZPGIBQKD-LLVKDONJSA-N 0 0 374.319 2.507 50 5 FFBARN COc1cc(C(=O)N2CCCSCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000060847256 208596951 /nfs/dbraw/zinc/59/69/51/208596951.db2.gz UDCHICSLSJTYJN-UHFFFAOYSA-N 0 0 362.354 2.784 50 5 FFBARN O=C(CCNc1nc2ccc([N+](=O)[O-])cc2s1)NCc1ccccn1 ZINC000096011449 209096198 /nfs/dbraw/zinc/09/61/98/209096198.db2.gz WWLOHCQEOQIADZ-UHFFFAOYSA-N 0 0 357.395 2.718 50 5 FFBARN C[C@H](O)c1nc2ccccc2n1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000095947487 209087990 /nfs/dbraw/zinc/08/79/90/209087990.db2.gz GEMQGBXWLZRISC-NSHDSACASA-N 0 0 355.350 2.913 50 5 FFBARN NC(=O)[C@@H]1CCCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000008053558 132842710 /nfs/dbraw/zinc/84/27/10/132842710.db2.gz WROCKIVVNDNUMB-OAHLLOKOSA-N 0 0 353.378 2.528 50 5 FFBARN CNC(=O)c1ccc(N(Cc2ccccc2)[C@@H](C)CCO)c([N+](=O)[O-])c1 ZINC000092962678 221840490 /nfs/dbraw/zinc/84/04/90/221840490.db2.gz SUCZHEHPPCEQAB-AWEZNQCLSA-N 0 0 357.410 2.732 50 5 FFBARN O=C(COC(=O)c1ccc(Br)o1)c1ccc([N+](=O)[O-])cc1 ZINC000000825467 506235102 /nfs/dbraw/zinc/23/51/02/506235102.db2.gz HGLPSNCQMBCTAF-UHFFFAOYSA-N 0 0 354.112 2.990 50 5 FFBARN O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccc(Cl)cc1 ZINC000000850475 506236706 /nfs/dbraw/zinc/23/67/06/506236706.db2.gz LYKUKHMFZWLMOF-UHFFFAOYSA-N 0 0 373.752 2.873 50 5 FFBARN Cc1ncc([N+](=O)[O-])n1CCSc1nnnn1-c1c(C)cc(C)cc1C ZINC000001135357 506250241 /nfs/dbraw/zinc/25/02/41/506250241.db2.gz RDHQWGJMHSNTTR-UHFFFAOYSA-N 0 0 373.442 2.793 50 5 FFBARN O=C(Oc1ccccc1C(=S)N1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000001166555 506252458 /nfs/dbraw/zinc/25/24/58/506252458.db2.gz KMJBFWGJLVFGMR-UHFFFAOYSA-N 0 0 372.402 2.822 50 5 FFBARN COc1cccc(/C=C2/N=C(c3cccc([N+](=O)[O-])c3)OC2=O)c1OC ZINC000002312845 506276391 /nfs/dbraw/zinc/27/63/91/506276391.db2.gz JAFWNCONVGZGHQ-GXDHUFHOSA-N 0 0 354.318 2.957 50 5 FFBARN C[C@@H](Sc1nnc(N)s1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000002622426 506284531 /nfs/dbraw/zinc/28/45/31/506284531.db2.gz WNLKYAKRLMTJJZ-RXMQYKEDSA-N 0 0 359.820 2.801 50 5 FFBARN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCC(=O)Nc1ccccn1 ZINC000052968086 506288127 /nfs/dbraw/zinc/28/81/27/506288127.db2.gz UEUZKFSEBNJZRL-GFCCVEGCSA-N 0 0 374.422 2.615 50 5 FFBARN CCN1C(C)=C(C(=O)OC)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)OC)=C1C ZINC000002775253 506291971 /nfs/dbraw/zinc/29/19/71/506291971.db2.gz SXFPCJUPGQFXDT-UHFFFAOYSA-N 0 0 374.393 2.908 50 5 FFBARN CCn1cnc2sc(C(=O)Nc3cccc([N+](=O)[O-])c3)c(C)c2c1=O ZINC000002910844 506301958 /nfs/dbraw/zinc/30/19/58/506301958.db2.gz LSYBCFBELQZURP-UHFFFAOYSA-N 0 0 358.379 2.947 50 5 FFBARN CN(C)c1ccc(NC(=O)COC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000003222813 506312892 /nfs/dbraw/zinc/31/28/92/506312892.db2.gz QNTNSOUSWAUHGV-LFYBBSHMSA-N 0 0 369.377 2.856 50 5 FFBARN O=C(COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])NCCc1ccccc1 ZINC000003375991 506325512 /nfs/dbraw/zinc/32/55/12/506325512.db2.gz KIZLVLGIAUIGTM-UHFFFAOYSA-N 0 0 362.769 2.764 50 5 FFBARN CCOc1ccc(OCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000003598289 506346557 /nfs/dbraw/zinc/34/65/57/506346557.db2.gz AQYIZOAAJCWIQB-UHFFFAOYSA-N 0 0 356.334 2.669 50 5 FFBARN Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000004319296 506371341 /nfs/dbraw/zinc/37/13/41/506371341.db2.gz QQICXRATKUNSSL-PBWFPOADSA-N 0 0 374.393 2.780 50 5 FFBARN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC000004497368 506379001 /nfs/dbraw/zinc/37/90/01/506379001.db2.gz ZALQCFGNPVLOQL-AJHXJQRKSA-N 0 0 369.352 2.669 50 5 FFBARN CC(=O)N1CCN(c2ccccc2NC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000004749755 506393592 /nfs/dbraw/zinc/39/35/92/506393592.db2.gz GNGWKSFAKOFEOD-UHFFFAOYSA-N 0 0 368.393 2.516 50 5 FFBARN CC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 ZINC000004895880 506402242 /nfs/dbraw/zinc/40/22/42/506402242.db2.gz XROJHUZUFRVJFW-UHFFFAOYSA-N 0 0 369.377 2.886 50 5 FFBARN CN1CCN(c2ccc([N+](=O)[O-])cc2NC(=O)Cc2ccccc2)CC1 ZINC000005048970 506417488 /nfs/dbraw/zinc/41/74/88/506417488.db2.gz AXUPWEWVMWMSJE-UHFFFAOYSA-N 0 0 354.410 2.528 50 5 FFBARN COc1ccc(NC(=O)COc2ncnc3ccccc32)c([N+](=O)[O-])c1 ZINC000005504690 506446596 /nfs/dbraw/zinc/44/65/96/506446596.db2.gz VIOZZBQNYQTPMV-UHFFFAOYSA-N 0 0 354.322 2.564 50 5 FFBARN O=C(N1CCCCC1)N1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000040153527 506475667 /nfs/dbraw/zinc/47/56/67/506475667.db2.gz ZCXQMTURSWQPIM-UHFFFAOYSA-N 0 0 369.425 2.871 50 5 FFBARN O=C(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1cccs1 ZINC000008030565 506615798 /nfs/dbraw/zinc/61/57/98/506615798.db2.gz VRITZDHXUAJPJM-UHFFFAOYSA-N 0 0 373.434 2.968 50 5 FFBARN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCN(c2ncccn2)CC1 ZINC000008774435 506669447 /nfs/dbraw/zinc/66/94/47/506669447.db2.gz GIBGYGFXLICBOH-UHFFFAOYSA-N 0 0 369.406 2.562 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1cccc2c1OCCO2 ZINC000055156696 506688124 /nfs/dbraw/zinc/68/81/24/506688124.db2.gz ADTPBKZJMCSNMH-LLVKDONJSA-N 0 0 373.365 2.814 50 5 FFBARN CN(C[C@H]1COc2ccccc2O1)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000012931908 506917973 /nfs/dbraw/zinc/91/79/73/506917973.db2.gz FDZBDACBEDEXMY-NKSUMMKUSA-N 0 0 354.362 2.906 50 5 FFBARN Cc1ccc(C(=O)NCc2ccccc2CN2CCOCC2)cc1[N+](=O)[O-] ZINC000012935074 506918190 /nfs/dbraw/zinc/91/81/90/506918190.db2.gz SRKCNSVYWXJQAK-UHFFFAOYSA-N 0 0 369.421 2.665 50 5 FFBARN CNC(=O)c1ccc(CN(C(=O)c2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000012971494 506920176 /nfs/dbraw/zinc/92/01/76/506920176.db2.gz TVTSFKXRIFIGKS-UHFFFAOYSA-N 0 0 353.378 2.759 50 5 FFBARN CN(CC(=O)NC1CC1)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000017282313 507119152 /nfs/dbraw/zinc/11/91/52/507119152.db2.gz LKIKXPIONOMCAB-UHFFFAOYSA-N 0 0 353.378 2.541 50 5 FFBARN CC(=O)Nc1ccc(C)cc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000068191733 507143814 /nfs/dbraw/zinc/14/38/14/507143814.db2.gz SYKOWLFIFAQMMF-UHFFFAOYSA-N 0 0 353.338 2.990 50 5 FFBARN CC(C)C12CN3CC(C(C)C)(CN(C1)C3c1cccc([N+](=O)[O-])c1)C2O ZINC000019323110 507165651 /nfs/dbraw/zinc/16/56/51/507165651.db2.gz BKSDRBUNFHRCPU-UHFFFAOYSA-N 0 0 359.470 2.884 50 5 biogenic FFBARN COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc([N+](=O)[O-])cc3)O2)cc1OC ZINC000021090600 507244350 /nfs/dbraw/zinc/24/43/50/507244350.db2.gz BHTLYQJCVBKEEH-GOSISDBHSA-N 0 0 371.349 2.851 50 5 FFBARN COCc1ccc(C(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000023048072 507326233 /nfs/dbraw/zinc/32/62/33/507326233.db2.gz AQGIIRLBVBSCSC-UHFFFAOYSA-N 0 0 362.313 2.676 50 5 FFBARN O=c1c([N+](=O)[O-])c(N2CCC[C@H]2Cc2ccccc2)nc2ccccn21 ZINC000024201722 507397906 /nfs/dbraw/zinc/39/79/06/507397906.db2.gz HLFZMGFSLMLPDS-HNNXBMFYSA-N 0 0 350.378 2.814 50 5 FFBARN Cc1nn(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(=S)s1 ZINC000024207509 507398159 /nfs/dbraw/zinc/39/81/59/507398159.db2.gz XHHKKHIKFTZMGQ-UHFFFAOYSA-N 0 0 351.457 2.670 50 5 FFBARN Cc1ccnn1-c1ccc(C(=O)NCCNc2ccccc2[N+](=O)[O-])cc1 ZINC000024320800 507404078 /nfs/dbraw/zinc/40/40/78/507404078.db2.gz FIHKNUOFIHCLPF-UHFFFAOYSA-N 0 0 365.393 2.931 50 5 FFBARN O=C(OCc1cccc(F)c1F)c1cc([N+](=O)[O-])ccc1NCCO ZINC000024507884 507417304 /nfs/dbraw/zinc/41/73/04/507417304.db2.gz PKQUIFHIADVUSA-UHFFFAOYSA-N 0 0 352.293 2.634 50 5 FFBARN NC(=O)N1CCCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000060363057 507531267 /nfs/dbraw/zinc/53/12/67/507531267.db2.gz UCSRJXGUEGASGY-UHFFFAOYSA-N 0 0 366.727 2.858 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1OCC(=O)Nc1ccnn1C1CCCC1 ZINC000031673870 507821042 /nfs/dbraw/zinc/82/10/42/507821042.db2.gz BUNQNRMCLNATCE-UHFFFAOYSA-N 0 0 360.370 2.933 50 5 FFBARN C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)N1CCc2sccc2C1 ZINC000031964418 507822588 /nfs/dbraw/zinc/82/25/88/507822588.db2.gz VAVCJTHAPOWNMK-CYBMUJFWSA-N 0 0 359.451 2.762 50 5 FFBARN O=[N+]([O-])c1c(Cl)nc2ccccc2c1NCCCN1CCOCC1 ZINC000096193722 508210204 /nfs/dbraw/zinc/21/02/04/508210204.db2.gz SBEYZNYPEQFDBZ-UHFFFAOYSA-N 0 0 350.806 2.931 50 5 FFBARN O=C(OCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCN1C(=O)c1cccnc1 ZINC000084422045 571085311 /nfs/dbraw/zinc/08/53/11/571085311.db2.gz ZPZYFPTVLNXJMC-KRWDZBQOSA-N 0 0 369.377 2.728 50 5 FFBARN O=C(/C=C\c1cc2c(cc1[N+](=O)[O-])OCO2)Nc1nc2c(s1)CCC2 ZINC000096912718 728481401 /nfs/dbraw/zinc/48/14/01/728481401.db2.gz BEJHYJPZCIOIGH-PLNGDYQASA-N 0 0 359.363 2.921 50 5 FFBARN O=C(NCc1ccccc1)c1[nH]cnc1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004978868 975471915 /nfs/dbraw/zinc/47/19/15/975471915.db2.gz RFFXWTXMOOGQMZ-UHFFFAOYSA-N 0 0 365.349 2.500 50 5 FFBARN CC(C)c1ncc(Cl)c(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)n1 ZINC000225528792 209816524 /nfs/dbraw/zinc/81/65/24/209816524.db2.gz IIRSTVWDPHXOEM-UHFFFAOYSA-N 0 0 374.788 2.968 50 5 FFBARN COc1ccc(CN(C2CC2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000194821010 209613660 /nfs/dbraw/zinc/61/36/60/209613660.db2.gz ZLDJQSSSKXVVJR-UHFFFAOYSA-N 0 0 362.407 2.957 50 5 FFBARN CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000005672377 209446651 /nfs/dbraw/zinc/44/66/51/209446651.db2.gz HVKOEVULOCKPLZ-NSHDSACASA-N 0 0 371.349 2.737 50 5 FFBARN C[C@H](Oc1ccccc1)C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000005961350 209446225 /nfs/dbraw/zinc/44/62/25/209446225.db2.gz XEOHLWJFLCNVMI-NSHDSACASA-N 0 0 362.313 2.683 50 5 FFBARN CCc1ccccc1NC(=O)CNC(=O)COc1cccc([N+](=O)[O-])c1C ZINC000048367831 209332177 /nfs/dbraw/zinc/33/21/77/209332177.db2.gz PCJJFFFAXPZEKC-UHFFFAOYSA-N 0 0 371.393 2.599 50 5 FFBARN CN(Cc1cnn(C)c1)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000047867019 209329041 /nfs/dbraw/zinc/32/90/41/209329041.db2.gz QXFWGLSCRXPLCT-UHFFFAOYSA-N 0 0 372.303 2.542 50 5 FFBARN CO[C@@H](CNC(=O)NCCNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000043892699 209311442 /nfs/dbraw/zinc/31/14/42/209311442.db2.gz HQRDHYNBPJTWIB-KRWDZBQOSA-N 0 0 358.398 2.694 50 5 FFBARN COc1ccc(C([O-])=CC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000101354921 209224273 /nfs/dbraw/zinc/22/42/73/209224273.db2.gz JOMDZBIQDVFSGX-UHFFFAOYSA-N 0 0 356.334 2.692 50 5 FFBARN Cc1cc(C)n(C(=O)[C@H](C)n2nc([N+](=O)[O-])c(Br)c2C)n1 ZINC000001070882 206859545 /nfs/dbraw/zinc/85/95/45/206859545.db2.gz SPOUKAGICWHNJR-VIFPVBQESA-N 0 0 356.180 2.577 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000002156386 206903832 /nfs/dbraw/zinc/90/38/32/206903832.db2.gz CFXSMYUMPNMRSC-UHFFFAOYSA-N 0 0 362.338 2.882 50 5 FFBARN CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)O[C@@H]1c1ccc2c(c1)OCO2 ZINC000003092315 206957191 /nfs/dbraw/zinc/95/71/91/206957191.db2.gz MXZZZGCVCWXDKK-QGZVFWFLSA-N 0 0 355.306 2.563 50 5 FFBARN O=C(c1ccco1)N1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000004599780 207032720 /nfs/dbraw/zinc/03/27/20/207032720.db2.gz NPTSMLTUZJVQKA-UHFFFAOYSA-N 0 0 352.350 2.698 50 5 FFBARN CN(Cc1ccccc1)c1cc(NCCCO)c([N+](=O)[O-])c2nonc21 ZINC000004716628 207042396 /nfs/dbraw/zinc/04/23/96/207042396.db2.gz QLOIILPHBUSUCO-UHFFFAOYSA-N 0 0 357.370 2.562 50 5 FFBARN CCNc1ccc(C(=O)OCC(=O)N2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000004871637 207057405 /nfs/dbraw/zinc/05/74/05/207057405.db2.gz DLZJONAEEBYNRR-UHFFFAOYSA-N 0 0 369.377 2.773 50 5 FFBARN COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Oc2ccc(C)nc2[N+](=O)[O-])c1C ZINC000004892283 207058845 /nfs/dbraw/zinc/05/88/45/207058845.db2.gz PDWXFNJCERRSAF-LLVKDONJSA-N 0 0 361.354 2.680 50 5 FFBARN COc1ccc(C(=O)OCC(=O)Nc2cc(OC)c([N+](=O)[O-])cc2C)cc1 ZINC000005115256 207081717 /nfs/dbraw/zinc/08/17/17/207081717.db2.gz NRACDFUXALTZIZ-UHFFFAOYSA-N 0 0 374.349 2.716 50 5 FFBARN Nc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C(=O)N1CCCC1)c1ccccc1 ZINC000005278554 207091280 /nfs/dbraw/zinc/09/12/80/207091280.db2.gz ZZYWHPCUVJGAFM-QGZVFWFLSA-N 0 0 369.377 2.698 50 5 FFBARN Cc1c(Nc2ccc3nonc3c2[N+](=O)[O-])c(=O)n(-c2ccccc2)n1C ZINC000005276841 207091981 /nfs/dbraw/zinc/09/19/81/207091981.db2.gz LTAHAGBSAFOMDB-UHFFFAOYSA-N 0 0 366.337 2.672 50 5 FFBARN Cc1c(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cccc1[N+](=O)[O-] ZINC000005422555 207099604 /nfs/dbraw/zinc/09/96/04/207099604.db2.gz MSERUZDLLRFXGR-UHFFFAOYSA-N 0 0 367.283 2.689 50 5 FFBARN Cc1ccccc1-c1nnn(CC(=O)Nc2cccc([N+](=O)[O-])c2C)n1 ZINC000006552569 207145892 /nfs/dbraw/zinc/14/58/92/207145892.db2.gz CSRFJJZHLDWDDL-UHFFFAOYSA-N 0 0 352.354 2.504 50 5 FFBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000007067595 207185695 /nfs/dbraw/zinc/18/56/95/207185695.db2.gz JGGYEXRWCYDOCO-GFCCVEGCSA-N 0 0 362.407 2.832 50 5 FFBARN O=C1C[C@H](c2ccc([N+](=O)[O-])cc2)c2c(=O)[nH]c(-c3ccccc3)nc2N1 ZINC000008738976 207246606 /nfs/dbraw/zinc/24/66/06/207246606.db2.gz HGFXAXKLPATAKY-CQSZACIVSA-N 0 0 362.345 2.819 50 5 FFBARN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000009479389 207272811 /nfs/dbraw/zinc/27/28/11/207272811.db2.gz LFGXZGZPRIMWMW-UHFFFAOYSA-N 0 0 366.377 2.802 50 5 FFBARN O=C(COc1cccc([N+](=O)[O-])c1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000009687635 207281046 /nfs/dbraw/zinc/28/10/46/207281046.db2.gz KZCXRUGLVVONII-UHFFFAOYSA-N 0 0 355.350 2.505 50 5 FFBARN Cc1c(C(=O)NCc2ccc(N3CCCC3=O)cc2)cccc1[N+](=O)[O-] ZINC000016513552 207588202 /nfs/dbraw/zinc/58/82/02/207588202.db2.gz KIUNSJKQVJEYBY-UHFFFAOYSA-N 0 0 353.378 2.960 50 5 FFBARN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000023717807 207853686 /nfs/dbraw/zinc/85/36/86/207853686.db2.gz MGCJDTQIYITPEK-UHFFFAOYSA-N 0 0 354.819 2.596 50 5 FFBARN COc1ccc(CN2C[C@H](C(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)cc1 ZINC000028403917 207961268 /nfs/dbraw/zinc/96/12/68/207961268.db2.gz BRVIWZKTNKXXJB-CQSZACIVSA-N 0 0 369.377 2.591 50 5 FFBARN Cc1cccc(C(=O)NC2CCN(C(=O)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000032845656 208048980 /nfs/dbraw/zinc/04/89/80/208048980.db2.gz JZACGPQEAXKPLM-UHFFFAOYSA-N 0 0 367.405 2.938 50 5 FFBARN O=C(NCCCOC1CCCCC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000031498123 208014228 /nfs/dbraw/zinc/01/42/28/208014228.db2.gz JAWQASWMKCNDBR-UHFFFAOYSA-N 0 0 373.413 2.645 50 5 FFBARN Cc1ccc(-c2noc(CCNC(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000035681716 208135274 /nfs/dbraw/zinc/13/52/74/208135274.db2.gz QFZIRSUBLFFSDZ-UHFFFAOYSA-N 0 0 352.350 2.926 50 5 FFBARN COc1cccc(CN(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2N)c1OC ZINC000048244872 208394254 /nfs/dbraw/zinc/39/42/54/208394254.db2.gz IRGCHWUGJQXKND-UHFFFAOYSA-N 0 0 363.345 2.606 50 5 FFBARN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@H]1COc2ccccc2C1 ZINC000065488767 208683149 /nfs/dbraw/zinc/68/31/49/208683149.db2.gz SFEYTLPPIQWXCO-AWEZNQCLSA-N 0 0 365.389 2.917 50 5 FFBARN COc1cccc(SC2=NS(=O)(=O)c3cc([N+](=O)[O-])ccc32)c1 ZINC000095481775 209059973 /nfs/dbraw/zinc/05/99/73/209059973.db2.gz WZLHFRYSGNQZDX-UHFFFAOYSA-N 0 0 350.377 2.845 50 5 FFBARN COC(=O)/C=C\CN1C(=O)[C@H](c2ccccc2)Oc2cc([N+](=O)[O-])ccc21 ZINC000097406794 132228658 /nfs/dbraw/zinc/22/86/58/132228658.db2.gz UIMZWCJZDWWSCW-MTIYJEKLSA-N 0 0 368.345 2.791 50 5 FFBARN Cc1ccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000004749695 132824486 /nfs/dbraw/zinc/82/44/86/132824486.db2.gz JHIZKIHHWKBBKV-UHFFFAOYSA-N 0 0 355.394 2.631 50 5 FFBARN Cc1ccccc1N1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000055543598 136127036 /nfs/dbraw/zinc/12/70/36/136127036.db2.gz WSUMKKWEAILRHU-UHFFFAOYSA-N 0 0 355.394 2.954 50 5 FFBARN C[C@H](C(=O)N(C)c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000057718126 136129993 /nfs/dbraw/zinc/12/99/93/136129993.db2.gz OVLFURIZUOMSOC-MRXNPFEDSA-N 0 0 368.437 2.768 50 5 FFBARN COc1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 ZINC000004125053 136151763 /nfs/dbraw/zinc/15/17/63/136151763.db2.gz ASDSPKOBITTWIE-UHFFFAOYSA-N 0 0 357.366 2.692 50 5 FFBARN COc1cc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c(OC)cc1Cl ZINC000000826505 506234879 /nfs/dbraw/zinc/23/48/79/506234879.db2.gz DSUYDAHZKUHHQN-UHFFFAOYSA-N 0 0 368.777 2.717 50 5 FFBARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 ZINC000000825841 506234987 /nfs/dbraw/zinc/23/49/87/506234987.db2.gz WJAXWNATDNUXOF-QGZVFWFLSA-N 0 0 367.361 2.966 50 5 FFBARN COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc(C(=O)OC)c1 ZINC000000994228 506242575 /nfs/dbraw/zinc/24/25/75/506242575.db2.gz WIVUEIFIRULVQH-UHFFFAOYSA-N 0 0 372.333 2.729 50 5 FFBARN CCOC(=O)N1CCN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 ZINC000001158729 506252124 /nfs/dbraw/zinc/25/21/24/506252124.db2.gz ZANZXARSGHSMIJ-UHFFFAOYSA-N 0 0 362.411 2.997 50 5 FFBARN COC(=O)c1cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc(C(=O)OC)c1 ZINC000001230676 506255953 /nfs/dbraw/zinc/25/59/53/506255953.db2.gz DFPLQNWBBODREE-UHFFFAOYSA-N 0 0 372.333 2.729 50 5 FFBARN CC(C)NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 ZINC000001793489 506269126 /nfs/dbraw/zinc/26/91/26/506269126.db2.gz IACVFWKBAJGTAT-ATVHPVEESA-N 0 0 353.378 2.890 50 5 FFBARN O=C(Nc1cccc2oc(=O)ccc12)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000002067144 506270819 /nfs/dbraw/zinc/27/08/19/506270819.db2.gz KPWUTGREDLGXQK-UHFFFAOYSA-N 0 0 355.262 2.862 50 5 FFBARN O=C(NC[C@@H]1OCCc2ccccc21)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000002316129 506276367 /nfs/dbraw/zinc/27/63/67/506276367.db2.gz AGLICLBPFOMWMR-INIZCTEOSA-N 0 0 357.322 2.547 50 5 FFBARN O=C(CSc1nccn1-c1ccc([N+](=O)[O-])cc1)Nc1nccs1 ZINC000002468356 506279630 /nfs/dbraw/zinc/27/96/30/506279630.db2.gz DYBIEZKEBMJTHL-UHFFFAOYSA-N 0 0 361.408 2.968 50 5 FFBARN Cc1ccc(Cl)cc1NC(=O)c1ccn(Cn2cc([N+](=O)[O-])cn2)n1 ZINC000002788093 506293028 /nfs/dbraw/zinc/29/30/28/506293028.db2.gz QUIZNNMXLUSXQV-UHFFFAOYSA-N 0 0 360.761 2.708 50 5 FFBARN COC(=O)c1sccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O ZINC000002872851 506299565 /nfs/dbraw/zinc/29/95/65/506299565.db2.gz QNPFDRLMWKEZDU-UHFFFAOYSA-N 0 0 374.330 2.802 50 5 FFBARN COc1ccccc1NC(=O)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000032923526 506312918 /nfs/dbraw/zinc/31/29/18/506312918.db2.gz MLBRUVOKBNUKGQ-UHFFFAOYSA-N 0 0 356.382 2.854 50 5 FFBARN O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cc(F)c(F)c(F)c1F ZINC000003229512 506313073 /nfs/dbraw/zinc/31/30/73/506313073.db2.gz XBWYOBHOTFCWME-NSHDSACASA-N 0 0 358.247 2.615 50 5 FFBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000065552230 506321733 /nfs/dbraw/zinc/32/17/33/506321733.db2.gz UDALQDAVGPXFMW-QGZVFWFLSA-N 0 0 368.393 2.998 50 5 FFBARN COc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)CCC3)cc1[N+](=O)[O-] ZINC000003530354 506339329 /nfs/dbraw/zinc/33/93/29/506339329.db2.gz XGLQJUDQMFSMTD-UHFFFAOYSA-N 0 0 370.361 2.888 50 5 FFBARN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c(F)c1F ZINC000003561388 506343612 /nfs/dbraw/zinc/34/36/12/506343612.db2.gz ANKOKCWVXQYCJA-UHFFFAOYSA-N 0 0 367.283 2.771 50 5 FFBARN O=C(c1ccco1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCC3)c2)CC1 ZINC000004703734 506389442 /nfs/dbraw/zinc/38/94/42/506389442.db2.gz FRSCLLJZLJROBY-UHFFFAOYSA-N 0 0 370.409 2.750 50 5 FFBARN C[C@H]1C[C@H]1C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000005262011 506432405 /nfs/dbraw/zinc/43/24/05/506432405.db2.gz IFQUJLWLDGVOAR-CMPLNLGQSA-N 0 0 357.332 2.918 50 5 FFBARN CCOc1ccc(NC(=O)COc2ncnc3ccccc32)c([N+](=O)[O-])c1 ZINC000005504591 506446419 /nfs/dbraw/zinc/44/64/19/506446419.db2.gz QMAKPCYVCMWJSK-UHFFFAOYSA-N 0 0 368.349 2.954 50 5 FFBARN CC(=O)Nc1cccc(-n2c(C)nnc2Sc2ccc([N+](=O)[O-])cn2)c1 ZINC000040067623 506461720 /nfs/dbraw/zinc/46/17/20/506461720.db2.gz WJWJDZOSCYWEJJ-UHFFFAOYSA-N 0 0 370.394 2.989 50 5 FFBARN C[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)c2ccccc2S1 ZINC000006119857 506467679 /nfs/dbraw/zinc/46/76/79/506467679.db2.gz WKFMCUDMOTZUJS-GFCCVEGCSA-N 0 0 359.407 2.674 50 5 FFBARN O=C(c1ccc(F)cc1)N1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000040105746 506467788 /nfs/dbraw/zinc/46/77/88/506467788.db2.gz GVGRYZCJXKFRNW-UHFFFAOYSA-N 0 0 373.384 2.571 50 5 FFBARN CC(=O)c1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000007751607 506587491 /nfs/dbraw/zinc/58/74/91/506587491.db2.gz SQJNLRGTNXAVSE-UHFFFAOYSA-N 0 0 353.378 2.760 50 5 FFBARN COc1ccc(Nc2cc(N3CCOCC3)c3nonc3c2[N+](=O)[O-])cc1 ZINC000008660897 506661015 /nfs/dbraw/zinc/66/10/15/506661015.db2.gz RTIZWMNQCRILIH-UHFFFAOYSA-N 0 0 371.353 2.720 50 5 FFBARN Cc1cc2c(c3c1c(=O)c1ccccc1c3=O)c(=O)c1ccccc1c2=O ZINC000043214902 506717819 /nfs/dbraw/zinc/71/78/19/506717819.db2.gz UEPBERKGNRZASV-UHFFFAOYSA-N 0 0 352.345 2.924 50 5 FFBARN O=C(NCc1ccc(F)cc1)c1cc(N2CCOCC2)ccc1[N+](=O)[O-] ZINC000012516295 506870589 /nfs/dbraw/zinc/87/05/89/506870589.db2.gz LDHRFXLCJITQFA-UHFFFAOYSA-N 0 0 359.357 2.501 50 5 FFBARN Cc1ccc(-c2noc(Cn3cnc4ccc([N+](=O)[O-])cc4c3=O)n2)cc1 ZINC000012888071 506911054 /nfs/dbraw/zinc/91/10/54/506911054.db2.gz FASXSQHJZGXQRE-UHFFFAOYSA-N 0 0 363.333 2.711 50 5 FFBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCCC2=O)cc1 ZINC000014215401 506979205 /nfs/dbraw/zinc/97/92/05/506979205.db2.gz YKBQMVRYLAHZLP-UHFFFAOYSA-N 0 0 355.350 2.739 50 5 FFBARN CCOC(=O)[C@H]1CCCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000015402203 507038236 /nfs/dbraw/zinc/03/82/36/507038236.db2.gz XZLSFBUSSPXDLM-JSGCOSHPSA-N 0 0 374.397 2.981 50 5 FFBARN Cc1ccn2c(c1)nc(C)c(NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c2=O ZINC000015865275 507065115 /nfs/dbraw/zinc/06/51/15/507065115.db2.gz ICLYMMBILMGOIG-UHFFFAOYSA-N 0 0 352.350 2.780 50 5 FFBARN CC[C@@H]1c2ccsc2CCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000016778378 507105026 /nfs/dbraw/zinc/10/50/26/507105026.db2.gz XYSFQFUFBWYIJA-OAHLLOKOSA-N 0 0 373.434 2.922 50 5 FFBARN O=C(c1cccc(Cl)c1)N1CCCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000057141578 507182842 /nfs/dbraw/zinc/18/28/42/507182842.db2.gz FETVZUSRCPCPCS-UHFFFAOYSA-N 0 0 360.801 2.996 50 5 FFBARN COc1cc2c(cc1OC)[C@@H](c1cc3c(cc1[N+](=O)[O-])OCO3)NCC2 ZINC000022204771 507283238 /nfs/dbraw/zinc/28/32/38/507283238.db2.gz DDEZIWSQYMTURV-SFHVURJKSA-N 0 0 358.350 2.576 50 5 FFBARN COc1ccc(S(=O)(=O)NCC2(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000023435945 507354483 /nfs/dbraw/zinc/35/44/83/507354483.db2.gz BJDRWOBCSIWVKH-UHFFFAOYSA-N 0 0 362.407 2.614 50 5 FFBARN COc1ccc(Cn2cc([N+](=O)[O-])ccc2=O)c(Br)c1OC ZINC000058174628 507378343 /nfs/dbraw/zinc/37/83/43/507378343.db2.gz DMLLQBOLCRJGRJ-UHFFFAOYSA-N 0 0 369.171 2.585 50 5 FFBARN Cc1cc(C(=O)NCc2ccccc2CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000024208742 507397786 /nfs/dbraw/zinc/39/77/86/507397786.db2.gz XMSMZNJABRIOBM-UHFFFAOYSA-N 0 0 369.421 2.665 50 5 FFBARN COc1ccc(NC(=O)N(C)C[C@H]2COc3ccccc3O2)c([N+](=O)[O-])c1 ZINC000024690754 507430904 /nfs/dbraw/zinc/43/09/04/507430904.db2.gz XFMNRDNTXIWODR-ZDUSSCGKSA-N 0 0 373.365 2.907 50 5 FFBARN O=C(COc1ccc([N+](=O)[O-])cc1F)Nc1cccc(N2CCCC2=O)c1 ZINC000059011855 507492777 /nfs/dbraw/zinc/49/27/77/507492777.db2.gz LTYRVIWWOHCYGJ-UHFFFAOYSA-N 0 0 373.340 2.878 50 5 FFBARN Cc1cccc(N2CCN(CC(=O)Nc3ccc(C)cc3[N+](=O)[O-])CC2)c1 ZINC000027381950 507653068 /nfs/dbraw/zinc/65/30/68/507653068.db2.gz ZLTLOUKUAJOHLV-UHFFFAOYSA-N 0 0 368.437 2.972 50 5 FFBARN CCc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1N ZINC000072312576 507775452 /nfs/dbraw/zinc/77/54/52/507775452.db2.gz GKWYWZMFBMSZKM-LLVKDONJSA-N 0 0 357.366 2.923 50 5 FFBARN CC(C)(C)OC(=O)N1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000029753828 507789081 /nfs/dbraw/zinc/78/90/81/507789081.db2.gz WPLIQDFTOUHUPN-UHFFFAOYSA-N 0 0 351.403 2.526 50 5 FFBARN O=C(c1ccc2ccccc2n1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000032005594 507822956 /nfs/dbraw/zinc/82/29/56/507822956.db2.gz OBKKGZLRVIGDPU-UHFFFAOYSA-N 0 0 363.377 2.500 50 5 FFBARN CC(C)[C@H](Oc1cccnc1[N+](=O)[O-])C(=O)N1CCc2ccccc2C1 ZINC000073815109 507958384 /nfs/dbraw/zinc/95/83/84/507958384.db2.gz XIWPNAZWDRIJRW-KRWDZBQOSA-N 0 0 355.394 2.978 50 5 FFBARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000047175173 570881178 /nfs/dbraw/zinc/88/11/78/570881178.db2.gz ANZCFXLZUCYXAI-LPADLIQXSA-N 0 0 365.389 2.698 50 5 FFBARN COC(=O)c1cc(/C=C\C(=O)Nc2cc([N+](=O)[O-])ccc2OC)oc1C ZINC000096926408 1012464420 /nfs/dbraw/zinc/46/44/20/1012464420.db2.gz SSCMPTSACNQIQF-ALCCZGGFSA-N 0 0 360.322 2.943 50 5 FFBARN O=C(CNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(F)(F)F ZINC000001066452 219362412 /nfs/dbraw/zinc/36/24/12/219362412.db2.gz GBWXJXBQNOOYED-UHFFFAOYSA-N 0 0 367.283 2.982 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1CSc1nnnn1Cc1ccccc1 ZINC000001067514 219363147 /nfs/dbraw/zinc/36/31/47/219363147.db2.gz JGJOQRDFBSMVMM-UHFFFAOYSA-N 0 0 357.395 2.931 50 5 FFBARN CCN(C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1ccccc1C ZINC000058168833 209696555 /nfs/dbraw/zinc/69/65/55/209696555.db2.gz JIUNORZXMLCWKD-UHFFFAOYSA-N 0 0 362.407 2.973 50 5 FFBARN Cc1cc(C)c2c(n1)sc1c2nnn(-c2ccc([N+](=O)[O-])cc2)c1=O ZINC000004124060 219545924 /nfs/dbraw/zinc/54/59/24/219545924.db2.gz LRVGOPCJPGHUDX-UHFFFAOYSA-N 0 0 353.363 2.915 50 5 FFBARN COCCNc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1OC ZINC000005261871 209437962 /nfs/dbraw/zinc/43/79/62/209437962.db2.gz YGTQCNNUGCKISX-UHFFFAOYSA-N 0 0 359.382 2.592 50 5 FFBARN C[C@@H](NC(=O)NCCNC(=O)c1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000050153786 209344190 /nfs/dbraw/zinc/34/41/90/209344190.db2.gz NLSGHUUXVFTBMM-GFCCVEGCSA-N 0 0 374.372 2.524 50 5 FFBARN O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(Cn2cccn2)cc1 ZINC000047176583 209328567 /nfs/dbraw/zinc/32/85/67/209328567.db2.gz JKWWIGKNXBTQNK-UHFFFAOYSA-N 0 0 352.350 2.857 50 5 FFBARN Cc1ccc(NC(=O)CCCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c([N+](=O)[O-])c1 ZINC000102547743 209237329 /nfs/dbraw/zinc/23/73/29/209237329.db2.gz UZPLMHHJQJRWAR-ZIAGYGMSSA-N 0 0 371.393 2.573 50 5 FFBARN Cc1cc2c(cc1C)N[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)N2 ZINC000000950769 206848779 /nfs/dbraw/zinc/84/87/79/206848779.db2.gz BGJCZCQNWVBJRB-MRXNPFEDSA-N 0 0 354.366 2.973 50 5 FFBARN Cc1ccc(NC(=O)C(=O)NCCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000010327383 206885294 /nfs/dbraw/zinc/88/52/94/206885294.db2.gz DPZXNBPBNKFBQA-UHFFFAOYSA-N 0 0 361.785 2.854 50 5 FFBARN CCOc1ccc(NC(=O)C[C@@H]2Nc3ccccc3NC2=O)c([N+](=O)[O-])c1 ZINC000004047445 206999052 /nfs/dbraw/zinc/99/90/52/206999052.db2.gz YZAXUUWFRMKAPT-HNNXBMFYSA-N 0 0 370.365 2.755 50 5 FFBARN Cc1cc(C(=O)N2NC(C3CC3)=C[C@@]2(O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000004178891 207004413 /nfs/dbraw/zinc/00/44/13/207004413.db2.gz CSSXDVLYMNYVJB-CQSZACIVSA-N 0 0 357.288 2.766 50 5 FFBARN CCCc1cc(C(N)=O)c(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)s1 ZINC000004750358 207046785 /nfs/dbraw/zinc/04/67/85/207046785.db2.gz KGZFPXQYUZWMQP-UHFFFAOYSA-N 0 0 363.395 2.969 50 5 FFBARN O=C(CCCn1cc([N+](=O)[O-])cn1)NCc1ccc(-n2cccc2)cc1 ZINC000004710401 207041044 /nfs/dbraw/zinc/04/10/44/207041044.db2.gz ZYUONLZPFYAOFZ-UHFFFAOYSA-N 0 0 353.382 2.679 50 5 FFBARN Cc1ccc(Nc2nc(N)nc(COc3ccccc3[N+](=O)[O-])n2)cc1 ZINC000005298542 207092337 /nfs/dbraw/zinc/09/23/37/207092337.db2.gz YHGNBCBVTBRPPA-UHFFFAOYSA-N 0 0 352.354 2.993 50 5 FFBARN CCn1cc(Cn2cc(NC(=S)Nc3ccc([N+](=O)[O-])cc3)cn2)cn1 ZINC000006243894 207134178 /nfs/dbraw/zinc/13/41/78/207134178.db2.gz NSGUPDDHDOXBDW-UHFFFAOYSA-N 0 0 371.426 2.865 50 5 FFBARN COc1ccc(CN(C)C(=O)c2ccc(OC)c([N+](=O)[O-])c2)c(OC)c1 ZINC000006288376 207135419 /nfs/dbraw/zinc/13/54/19/207135419.db2.gz XMEUVLZCSBWAQH-UHFFFAOYSA-N 0 0 360.366 2.893 50 5 FFBARN COCCNc1ccc([N+](=O)[O-])cc1C(=O)OCCOc1ccccc1 ZINC000006830817 207169686 /nfs/dbraw/zinc/16/96/86/207169686.db2.gz HKDHUHPQAYIMOD-UHFFFAOYSA-N 0 0 360.366 2.889 50 5 FFBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1nn(C)c(=O)c2ccccc21 ZINC000007066800 207186195 /nfs/dbraw/zinc/18/61/95/207186195.db2.gz NESLNVMHUCYCCR-GFCCVEGCSA-N 0 0 366.377 2.675 50 5 FFBARN Cc1ccc2oc(C(=O)NCCNc3ccc([N+](=O)[O-])cc3)cc(=O)c2c1 ZINC000008183665 207222142 /nfs/dbraw/zinc/22/21/42/207222142.db2.gz CTFBHAKFWKPDID-UHFFFAOYSA-N 0 0 367.361 2.852 50 5 FFBARN Cc1cc(O[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)ccc1[N+](=O)[O-] ZINC000008257028 207226654 /nfs/dbraw/zinc/22/66/54/207226654.db2.gz LQZGPOMKNGREIL-GFCCVEGCSA-N 0 0 355.350 2.656 50 5 FFBARN Cc1ccc(OCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)c([N+](=O)[O-])n1 ZINC000008687991 207240461 /nfs/dbraw/zinc/24/04/61/207240461.db2.gz GLEATAVXALNACZ-UHFFFAOYSA-N 0 0 367.264 2.637 50 5 FFBARN Cc1nn(Cc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c(C)c1[N+](=O)[O-] ZINC000008883724 207250444 /nfs/dbraw/zinc/25/04/44/207250444.db2.gz QBNSSDGKSSNULY-STQMWFEESA-N 0 0 372.425 2.706 50 5 FFBARN COC(=O)c1ccc(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000009479337 207272684 /nfs/dbraw/zinc/27/26/84/207272684.db2.gz NVPWIUQTAXXBFN-UHFFFAOYSA-N 0 0 373.317 2.605 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CCCn1c(C)csc1=O ZINC000009337378 207267175 /nfs/dbraw/zinc/26/71/75/207267175.db2.gz MCGHZFYAXCQZCH-UHFFFAOYSA-N 0 0 351.384 2.554 50 5 FFBARN COc1ccc(NC(=O)NCc2ccc(-n3ccnc3)nc2)c([N+](=O)[O-])c1 ZINC000012520185 207384935 /nfs/dbraw/zinc/38/49/35/207384935.db2.gz ULANPIQCXOWWKT-UHFFFAOYSA-N 0 0 368.353 2.506 50 5 FFBARN Cc1ccccc1[C@H](C)NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000014092829 207497594 /nfs/dbraw/zinc/49/75/94/207497594.db2.gz PFBQTEPUMKSXLP-LBPRGKRZSA-N 0 0 355.350 2.689 50 5 FFBARN COc1cc(C(=O)NCc2cccc(NC(C)=O)c2)c([N+](=O)[O-])cc1OC ZINC000040093536 207958029 /nfs/dbraw/zinc/95/80/29/207958029.db2.gz AOKMYOALBXKVHZ-UHFFFAOYSA-N 0 0 373.365 2.500 50 5 FFBARN C[C@H](Oc1ccccc1Cl)C(=O)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000032795470 208042455 /nfs/dbraw/zinc/04/24/55/208042455.db2.gz PTGSXWLKPLXZLO-XHDPSFHLSA-N 0 0 364.785 2.865 50 5 FFBARN O=C(CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)Nc1ccccc1F ZINC000035743547 208135718 /nfs/dbraw/zinc/13/57/18/208135718.db2.gz ULSUZYMNNOGRAX-UHFFFAOYSA-N 0 0 351.721 2.756 50 5 FFBARN O=C(NC1CC1)c1ccc(NCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000040083263 208223880 /nfs/dbraw/zinc/22/38/80/208223880.db2.gz FKJZQEGYDIIHPS-UHFFFAOYSA-N 0 0 369.377 2.966 50 5 FFBARN COC(=O)c1cn(CCc2ccc([N+](=O)[O-])cc2)c2c1-c1nccn1CC2 ZINC000044126837 208311342 /nfs/dbraw/zinc/31/13/42/208311342.db2.gz YVMNOSFWPLASTO-UHFFFAOYSA-N 0 0 366.377 2.845 50 5 FFBARN CCN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000047608148 208383297 /nfs/dbraw/zinc/38/32/97/208383297.db2.gz PQITVPCOANDADM-KBPBESRZSA-N 0 0 355.460 2.639 50 5 FFBARN O=C(Nc1ccc(N2CCOCC2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000001801129 132382460 /nfs/dbraw/zinc/38/24/60/132382460.db2.gz SBRWRQPJFWTVLM-UHFFFAOYSA-N 0 0 372.337 2.592 50 5 FFBARN O=C(Nc1ccc(Cl)cn1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000004842020 132824926 /nfs/dbraw/zinc/82/49/26/132824926.db2.gz NKUVAWPULBTHTE-UHFFFAOYSA-N 0 0 362.773 2.732 50 5 FFBARN Cc1cc(CN(C)C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)no1 ZINC000025136560 132912907 /nfs/dbraw/zinc/91/29/07/132912907.db2.gz RDYWUNVZZLDKCX-UHFFFAOYSA-N 0 0 358.398 2.766 50 5 FFBARN Cc1cc2c(nc3s/c(=C\c4ccc([N+](=O)[O-])cc4)c(=O)n23)c(C)c1 ZINC000000676932 506228763 /nfs/dbraw/zinc/22/87/63/506228763.db2.gz AHCYICCWJXFIIP-DHDCSXOGSA-N 0 0 351.387 2.982 50 5 FFBARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 ZINC000000845684 506235027 /nfs/dbraw/zinc/23/50/27/506235027.db2.gz JWJKQMQXUBCOON-MRXNPFEDSA-N 0 0 352.350 2.861 50 5 FFBARN CC(C)[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O ZINC000001135049 506250665 /nfs/dbraw/zinc/25/06/65/506250665.db2.gz PXZWHUIBYSXGBD-INIZCTEOSA-N 0 0 367.361 2.854 50 5 FFBARN CS(=O)(=O)c1ccc(C(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 ZINC000002165059 506274004 /nfs/dbraw/zinc/27/40/04/506274004.db2.gz AWGFYVWASRXQDH-UHFFFAOYSA-N 0 0 351.405 2.973 50 5 FFBARN COCCn1c(=O)c2c(=O)c3ccccc3n(C)c2nc1C1CCCCC1 ZINC000002342966 506277682 /nfs/dbraw/zinc/27/76/82/506277682.db2.gz WXFSQIXHVARWSS-UHFFFAOYSA-N 0 0 367.449 2.943 50 5 FFBARN CC(=O)Nc1ccc(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000002632394 506284948 /nfs/dbraw/zinc/28/49/48/506284948.db2.gz MVTFOYZFYNMKDQ-UHFFFAOYSA-N 0 0 372.333 2.777 50 5 FFBARN O=C(COC(=O)Cc1ccccc1[N+](=O)[O-])NCc1ccccc1Cl ZINC000002630563 506285429 /nfs/dbraw/zinc/28/54/29/506285429.db2.gz VRKWPLRQIZCAKP-UHFFFAOYSA-N 0 0 362.769 2.650 50 5 FFBARN CCc1c(C)sc2ncn3nc(Cn4nc([N+](=O)[O-])cc4C)nc3c12 ZINC000002808956 506295261 /nfs/dbraw/zinc/29/52/61/506295261.db2.gz ZUQFSFZHRZAWQJ-UHFFFAOYSA-N 0 0 357.399 2.671 50 5 FFBARN CCCCn1nnc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)n1 ZINC000002865914 506298399 /nfs/dbraw/zinc/29/83/99/506298399.db2.gz CQSLXNMQQRCMKN-UHFFFAOYSA-N 0 0 356.342 2.894 50 5 FFBARN CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000003131820 506310979 /nfs/dbraw/zinc/31/09/79/506310979.db2.gz CKOMUHFBAWJEIB-UHFFFAOYSA-N 0 0 350.352 2.629 50 5 FFBARN C[C@@H](OC(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003240980 506315139 /nfs/dbraw/zinc/31/51/39/506315139.db2.gz MXUTZLYIYUXFEC-LLVKDONJSA-N 0 0 372.333 2.550 50 5 FFBARN Cc1nn(CC(=O)N2CCC(Cc3ccccc3)CC2)c(C)c1[N+](=O)[O-] ZINC000003309882 506319784 /nfs/dbraw/zinc/31/97/84/506319784.db2.gz BDJVAJNSIRYOGZ-UHFFFAOYSA-N 0 0 356.426 2.889 50 5 FFBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000004043755 506355060 /nfs/dbraw/zinc/35/50/60/506355060.db2.gz BGHLTIAWFVXZAD-NSHDSACASA-N 0 0 353.334 2.526 50 5 FFBARN Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1[N+](=O)[O-] ZINC000004286092 506370081 /nfs/dbraw/zinc/37/00/81/506370081.db2.gz YLNPMQLOVYYBAH-UHFFFAOYSA-N 0 0 370.365 2.774 50 5 FFBARN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1cccc(OC(F)F)c1 ZINC000053434035 506378486 /nfs/dbraw/zinc/37/84/86/506378486.db2.gz OIYRHCLXUWYGRI-UHFFFAOYSA-N 0 0 365.292 2.565 50 5 FFBARN C[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000004763657 506393141 /nfs/dbraw/zinc/39/31/41/506393141.db2.gz RMDSOBUAMXNVDC-ZDUSSCGKSA-N 0 0 358.350 2.953 50 5 FFBARN COc1cc(NC(=O)COc2ncnc3ccccc32)c(C)cc1[N+](=O)[O-] ZINC000005504720 506445973 /nfs/dbraw/zinc/44/59/73/506445973.db2.gz JKOFQWJRZLSLES-UHFFFAOYSA-N 0 0 368.349 2.873 50 5 FFBARN O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1ccccc1CN1CCCC1=O ZINC000040071648 506463265 /nfs/dbraw/zinc/46/32/65/506463265.db2.gz RJLDWKASKQXTQA-UHFFFAOYSA-N 0 0 367.405 2.576 50 5 FFBARN Cc1nn(CC(=O)N2CCS[C@H]2c2ccccc2F)c(C)c1[N+](=O)[O-] ZINC000008848766 506671198 /nfs/dbraw/zinc/67/11/98/506671198.db2.gz ACNYENOHEAVMSB-INIZCTEOSA-N 0 0 364.402 2.821 50 5 FFBARN Cc1ccc(NC(=O)CN(C)C[C@@H]2COc3ccccc3O2)c([N+](=O)[O-])c1 ZINC000016629019 507100575 /nfs/dbraw/zinc/10/05/75/507100575.db2.gz DGBRYFZVVXWHCY-CQSZACIVSA-N 0 0 371.393 2.614 50 5 FFBARN CC1=NN(c2ccccc2)C(=O)[C@@H]1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000018240402 507148597 /nfs/dbraw/zinc/14/85/97/507148597.db2.gz IMURLUBIDTVTPB-HNNXBMFYSA-N 0 0 368.305 2.725 50 5 FFBARN Cc1cccc(C(=O)OCC(=O)Nc2cccc3nsnc32)c1[N+](=O)[O-] ZINC000019078264 507153675 /nfs/dbraw/zinc/15/36/75/507153675.db2.gz UQEQLVWLDPTQBL-UHFFFAOYSA-N 0 0 372.362 2.703 50 5 FFBARN COc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000019732834 507197525 /nfs/dbraw/zinc/19/75/25/507197525.db2.gz XQTYQBWHSBETCU-UHFFFAOYSA-N 0 0 355.394 2.561 50 5 FFBARN COc1ccc([C@H]2OC(c3ccccc3[N+](=O)[O-])=NN2C(C)=O)cc1OC ZINC000020946054 507239946 /nfs/dbraw/zinc/23/99/46/507239946.db2.gz LZFTZWCPNNPEBE-GOSISDBHSA-N 0 0 371.349 2.851 50 5 FFBARN Cc1ccc(OCCN(C)C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000058270426 507397428 /nfs/dbraw/zinc/39/74/28/507397428.db2.gz ZGFGKSPCWFBNBY-UHFFFAOYSA-N 0 0 372.377 2.825 50 5 FFBARN COc1cc2c(cc1OC)C(=O)N[C@@H](c1cc([N+](=O)[O-])c(F)cc1F)N2 ZINC000069097665 507407965 /nfs/dbraw/zinc/40/79/65/507407965.db2.gz KHNHUOFUSRZQCM-HNNXBMFYSA-N 0 0 365.292 2.744 50 5 FFBARN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)[C@H]1CCc2ccccc21 ZINC000058412599 507414746 /nfs/dbraw/zinc/41/47/46/507414746.db2.gz KAFWQVMBCYOQJE-ACJLOTCBSA-N 0 0 367.405 2.859 50 5 FFBARN O=C(NCc1ccccn1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]12 ZINC000024536505 507417330 /nfs/dbraw/zinc/41/73/30/507417330.db2.gz CITKAHJLPPLHFL-MJGOQNOKSA-N 0 0 366.421 2.837 50 5 FFBARN COc1cc(CC(=O)N(C)Cc2cccc([N+](=O)[O-])c2)cc(OC)c1OC ZINC000024946581 507451320 /nfs/dbraw/zinc/45/13/20/507451320.db2.gz PDROMUJABZDFDY-UHFFFAOYSA-N 0 0 374.393 2.822 50 5 FFBARN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1C(=O)Nc1ccccc1 ZINC000024985681 507454158 /nfs/dbraw/zinc/45/41/58/507454158.db2.gz ZWAYUXDQYJEXQQ-QGZVFWFLSA-N 0 0 353.378 2.767 50 5 FFBARN O=C(c1cc2ccccc2o1)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000025580645 507513593 /nfs/dbraw/zinc/51/35/93/507513593.db2.gz XDZQQJQVXQIRNF-UHFFFAOYSA-N 0 0 352.350 2.698 50 5 FFBARN CC1CCC(NC(=O)COC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000062311089 507664763 /nfs/dbraw/zinc/66/47/63/507664763.db2.gz UKLFAHVTBNZPPA-UHFFFAOYSA-N 0 0 373.409 2.788 50 5 FFBARN O=C(NC[C@H]1CCN(c2ccccc2)C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000027840286 507688626 /nfs/dbraw/zinc/68/86/26/507688626.db2.gz UQTGBUCWAVRUEW-CYBMUJFWSA-N 0 0 365.393 2.727 50 5 FFBARN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1 ZINC000028580751 507731665 /nfs/dbraw/zinc/73/16/65/507731665.db2.gz JUJNVIICWBSLTC-ZDUSSCGKSA-N 0 0 357.341 2.721 50 5 FFBARN COc1cc(OC)c(C2=CCN(c3c([N+](=O)[O-])ncn3C)CC2)c(OC)c1 ZINC000029599181 507784113 /nfs/dbraw/zinc/78/41/13/507784113.db2.gz FBXCEYBLURXZBN-UHFFFAOYSA-N 0 0 374.397 2.648 50 5 FFBARN COc1ccc(OC)c2c1CN(CCc1ccc([N+](=O)[O-])cc1)C[C@@H]2O ZINC000052561535 507813882 /nfs/dbraw/zinc/81/38/82/507813882.db2.gz AIAGFMJWJZZASO-INIZCTEOSA-N 0 0 358.394 2.704 50 5 FFBARN CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000080344018 508066615 /nfs/dbraw/zinc/06/66/15/508066615.db2.gz CIVOWSCIKHTXBI-GFCCVEGCSA-N 0 0 353.400 2.843 50 5 FFBARN O=C(Nc1ncc([N+](=O)[O-])s1)c1cc2c(nc3ccccn3c2=O)s1 ZINC000096347272 508213561 /nfs/dbraw/zinc/21/35/61/508213561.db2.gz NHCDKRZCHKLXGC-UHFFFAOYSA-N 0 0 373.375 2.526 50 5 FFBARN CC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000001171249 519710952 /nfs/dbraw/zinc/71/09/52/519710952.db2.gz IFEPGESVTUPHMJ-UHFFFAOYSA-N 0 0 356.334 2.901 50 5 FFBARN CCNc1cc(N2CCN(C(=O)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000004125034 535521885 /nfs/dbraw/zinc/52/18/85/535521885.db2.gz NRWOQEPOLCRNID-UHFFFAOYSA-N 0 0 354.410 2.989 50 5 FFBARN CCOC(=O)N1CCN(c2cc(N3CCCC3)c(F)cc2[N+](=O)[O-])CC1 ZINC000005129013 535778583 /nfs/dbraw/zinc/77/85/83/535778583.db2.gz UHXKBMHMUHPLKC-UHFFFAOYSA-N 0 0 366.393 2.613 50 5 FFBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000047175176 570881274 /nfs/dbraw/zinc/88/12/74/570881274.db2.gz ANZCFXLZUCYXAI-QZEKMECESA-N 0 0 365.389 2.698 50 5 FFBARN Cc1nn(CC(=O)Nc2nc(-c3ccccc3)ns2)c(C)c1[N+](=O)[O-] ZINC000048368665 570953021 /nfs/dbraw/zinc/95/30/21/570953021.db2.gz DSPLXXLVGZLZLE-UHFFFAOYSA-N 0 0 358.383 2.565 50 5 FFBARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COc1ccc([N+](=O)[O-])cc1F ZINC000059012091 209864694 /nfs/dbraw/zinc/86/46/94/209864694.db2.gz LYVWCYFYFXHVHV-LLVKDONJSA-N 0 0 373.340 2.877 50 5 FFBARN Cc1cc(C(F)F)n2nc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)nc2n1 ZINC000001005631 219352993 /nfs/dbraw/zinc/35/29/93/219352993.db2.gz DCHBMCJJCYCMTG-UHFFFAOYSA-N 0 0 366.259 2.670 50 5 FFBARN CC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001076631 219365669 /nfs/dbraw/zinc/36/56/69/219365669.db2.gz ALSLOQLZXRBSHJ-UHFFFAOYSA-N 0 0 363.395 2.534 50 5 FFBARN Cc1ccccc1-n1ncc2c1ncn(Cc1cccc([N+](=O)[O-])c1)c2=O ZINC000004479066 209421617 /nfs/dbraw/zinc/42/16/17/209421617.db2.gz HBYYVUNHJLPEHH-UHFFFAOYSA-N 0 0 361.361 2.847 50 5 FFBARN O=c1[nH]c(=O)c2c([nH]1)OC(c1ccccc1)=C[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000226761557 209368238 /nfs/dbraw/zinc/36/82/38/209368238.db2.gz WVLRBYLKNTXSLT-AWEZNQCLSA-N 0 0 363.329 2.537 50 5 FFBARN O=C1[C@@H]2ON=C(c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1cccc(Cl)c1 ZINC000103529699 209254008 /nfs/dbraw/zinc/25/40/08/209254008.db2.gz GHCHCBRODQXBLY-DZGCQCFKSA-N 0 0 371.736 2.541 50 5 FFBARN COC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(C2CCCCC2)c1=N ZINC000100627823 209215075 /nfs/dbraw/zinc/21/50/75/209215075.db2.gz QJTGKDIVEWZIMG-UHFFFAOYSA-N 0 0 366.421 2.729 50 5 FFBARN COc1ccc(C(=O)NCCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000096277089 209148590 /nfs/dbraw/zinc/14/85/90/209148590.db2.gz IDZCWKGHGLYLJB-UHFFFAOYSA-N 0 0 368.349 2.626 50 5 FFBARN O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(OC(F)(F)F)cc1 ZINC000016488035 220185158 /nfs/dbraw/zinc/18/51/58/220185158.db2.gz VTJQUVKJMFFHEZ-CQSZACIVSA-N 0 0 370.283 2.957 50 5 FFBARN CC(=O)Nc1ccc(OC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)cc1 ZINC000000807606 206833099 /nfs/dbraw/zinc/83/30/99/206833099.db2.gz AZRHAVSWGYNMQY-UHFFFAOYSA-N 0 0 368.301 2.879 50 5 FFBARN Cc1nc(C)c(C(=O)OCC(=O)Nc2ccc(F)cc2[N+](=O)[O-])s1 ZINC000010142209 206875556 /nfs/dbraw/zinc/87/55/56/206875556.db2.gz CIPFUGKZCPCLEY-UHFFFAOYSA-N 0 0 353.331 2.603 50 5 FFBARN O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)NCC(F)(F)F ZINC000002653608 206926668 /nfs/dbraw/zinc/92/66/68/206926668.db2.gz RFUOZMMLOHZHJM-UHFFFAOYSA-N 0 0 351.331 2.975 50 5 FFBARN COC(=O)c1cnc(Sc2n[nH]c(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000004394891 207017902 /nfs/dbraw/zinc/01/79/02/207017902.db2.gz WFVVSHOGMMYCPI-UHFFFAOYSA-N 0 0 357.351 2.713 50 5 FFBARN CCO[C@@]12ON=C(c3cccc([N+](=O)[O-])c3)N1c1ccc(C)cc1C2=O ZINC000004709514 207040008 /nfs/dbraw/zinc/04/00/08/207040008.db2.gz CDQFNTROYLTGGV-SFHVURJKSA-N 0 0 353.334 2.988 50 5 FFBARN O=C(CN1C(=O)c2ccccc2C1=O)OCc1ccc([N+](=O)[O-])cc1Cl ZINC000004832563 207053186 /nfs/dbraw/zinc/05/31/86/207053186.db2.gz DIUKCHNZMBEDPM-UHFFFAOYSA-N 0 0 374.736 2.588 50 5 FFBARN COc1ccc(-c2n[nH]c3c2[C@H](c2cccc([N+](=O)[O-])c2)NC3=O)cc1 ZINC000004929070 207064361 /nfs/dbraw/zinc/06/43/61/207064361.db2.gz PISQTRPMTCIXLO-HNNXBMFYSA-N 0 0 350.334 2.826 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)/C=C/c1ccco1 ZINC000004966351 207065996 /nfs/dbraw/zinc/06/59/96/207065996.db2.gz OPMXSIXCOQQFQO-LXSSAFMLSA-N 0 0 360.322 2.780 50 5 FFBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCOc1ccccc1Cl ZINC000004985907 207069139 /nfs/dbraw/zinc/06/91/39/207069139.db2.gz PPBZMFYQCKJNPW-UHFFFAOYSA-N 0 0 370.814 2.914 50 5 FFBARN Cc1ccc(Nc2nc(NC[C@@H]3CCCO3)nc(N)c2[N+](=O)[O-])cc1C ZINC000005100914 207080648 /nfs/dbraw/zinc/08/06/48/207080648.db2.gz CHQQAIWDGSVMBJ-ZDUSSCGKSA-N 0 0 358.402 2.918 50 5 FFBARN O=C(COc1ccccc1F)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000005989320 207124912 /nfs/dbraw/zinc/12/49/12/207124912.db2.gz HAHLRAVWBDFEDN-UHFFFAOYSA-N 0 0 373.296 2.906 50 5 FFBARN COC(=O)C1=C(C)N(C2CC2)C(=O)N[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000007552551 207198993 /nfs/dbraw/zinc/19/89/93/207198993.db2.gz GSDJUAQUOJHNFQ-CQSZACIVSA-N 0 0 365.773 2.924 50 5 FFBARN O=C(/C=C/c1nc2ccccc2o1)NCCNc1ccccc1[N+](=O)[O-] ZINC000008146477 207220782 /nfs/dbraw/zinc/22/07/82/207220782.db2.gz BWVRTCUZVFVTPV-MDZDMXLPSA-N 0 0 352.350 2.978 50 5 FFBARN COCc1cccc(C(=O)NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])c1 ZINC000008881402 207250782 /nfs/dbraw/zinc/25/07/82/207250782.db2.gz QANVGIFVEZIABW-UHFFFAOYSA-N 0 0 374.393 2.731 50 5 FFBARN COc1cc(COc2ccccc2C(N)=O)c([N+](=O)[O-])cc1OC(F)F ZINC000008924343 207252518 /nfs/dbraw/zinc/25/25/18/207252518.db2.gz HDBCJAORBSQKMT-UHFFFAOYSA-N 0 0 368.292 2.883 50 5 FFBARN COc1ccc2[nH]c(=O)c(COC(=O)c3ccc([N+](=O)[O-])cc3)cc2c1 ZINC000009191982 207261078 /nfs/dbraw/zinc/26/10/78/207261078.db2.gz GBFHYNNHPASVEH-UHFFFAOYSA-N 0 0 354.318 2.802 50 5 FFBARN CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000009933295 207291319 /nfs/dbraw/zinc/29/13/19/207291319.db2.gz PNLQTOLSIXPRRT-UHFFFAOYSA-N 0 0 351.366 2.635 50 5 FFBARN O=C(CNc1ccc(F)c([N+](=O)[O-])c1)Nc1ccc(N2CCCC2=O)cc1 ZINC000011549554 207314739 /nfs/dbraw/zinc/31/47/39/207314739.db2.gz GNXVVOGMXJYXAW-UHFFFAOYSA-N 0 0 372.356 2.911 50 5 FFBARN NC(=O)c1ccc(NCc2ccc(Cn3cccn3)cc2)c([N+](=O)[O-])c1 ZINC000012537199 207388972 /nfs/dbraw/zinc/38/89/72/207388972.db2.gz WPNPDBRGYXQDKP-UHFFFAOYSA-N 0 0 351.366 2.551 50 5 FFBARN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(C(=O)N(C)C)CC1 ZINC000032753423 208039267 /nfs/dbraw/zinc/03/92/67/208039267.db2.gz DUTXEASAYWFFQV-GFCCVEGCSA-N 0 0 373.413 2.506 50 5 FFBARN O=C(OCc1cc(-c2ccco2)on1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000032745401 208039715 /nfs/dbraw/zinc/03/97/15/208039715.db2.gz NKXCWGFMWTWWLZ-UHFFFAOYSA-N 0 0 358.262 2.929 50 5 FFBARN C[C@@H](Nc1nc2ccccn2c1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000032806460 208045002 /nfs/dbraw/zinc/04/50/02/208045002.db2.gz SEMGEDWIIVPNAR-LLVKDONJSA-N 0 0 360.395 2.819 50 5 FFBARN CC1CCN(C(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000033004110 208064697 /nfs/dbraw/zinc/06/46/97/208064697.db2.gz PWEZXKUDTRKLLP-UHFFFAOYSA-N 0 0 362.411 2.995 50 5 FFBARN CCc1onc(C)c1[C@H]1CCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000033087003 208070638 /nfs/dbraw/zinc/07/06/38/208070638.db2.gz HVYRJNWHWJBWPB-CYBMUJFWSA-N 0 0 365.411 2.979 50 5 FFBARN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])s1)NC[C@H]1COCCO1 ZINC000055846781 208487242 /nfs/dbraw/zinc/48/72/42/208487242.db2.gz HVUQDSGJFLSYNO-CFNZNRNTSA-N 0 0 374.418 2.868 50 5 FFBARN CCCO[C@@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)C1 ZINC000065796127 208692653 /nfs/dbraw/zinc/69/26/53/208692653.db2.gz WXCFWERRWNEPKU-OAHLLOKOSA-N 0 0 356.444 2.791 50 5 FFBARN O=C(Nc1ccncc1I)c1cccc([N+](=O)[O-])c1 ZINC000095413744 209048901 /nfs/dbraw/zinc/04/89/01/209048901.db2.gz FKRDMSNAZIKMFU-UHFFFAOYSA-N 0 0 369.118 2.847 50 5 FFBARN C[C@H](Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000095468376 209055942 /nfs/dbraw/zinc/05/59/42/209055942.db2.gz BVGFCNDLPJIODT-UWVGGRQHSA-N 0 0 364.370 2.818 50 5 FFBARN CCOC(=O)N1CCC(NC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000095951613 209089296 /nfs/dbraw/zinc/08/92/96/209089296.db2.gz ORKYDSRJTINDQG-UHFFFAOYSA-N 0 0 350.375 2.646 50 5 FFBARN O=C(Cc1ccc([N+](=O)[O-])cc1)N1NC2=C(CCCC2)[C@@]1(O)C(F)(F)F ZINC000001212399 506257297 /nfs/dbraw/zinc/25/72/97/506257297.db2.gz KTEOIVMFGWSIHU-SWLSCSKDSA-N 0 0 371.315 2.777 50 5 FFBARN COCCn1c2nc3ccccc3nc2c2c1ncn(CC(C)C)c2=O ZINC000002253826 506276868 /nfs/dbraw/zinc/27/68/68/506276868.db2.gz LHAZDHPKWRMBCD-UHFFFAOYSA-N 0 0 351.410 2.597 50 5 FFBARN O=C(Nn1cnc2sc3c(c2c1=O)CCCC3)c1ccc([N+](=O)[O-])cc1 ZINC000002798623 506293516 /nfs/dbraw/zinc/29/35/16/506293516.db2.gz MJVBBSCYWLIWIC-UHFFFAOYSA-N 0 0 370.390 2.629 50 5 FFBARN CCOC(=O)C1=CN(C)C=C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1 ZINC000002796684 506293567 /nfs/dbraw/zinc/29/35/67/506293567.db2.gz QBGKZUCPDFSNCC-UHFFFAOYSA-N 0 0 360.366 2.518 50 5 FFBARN Cc1cc(C)c([N+](=O)[O-])cc1NCC(=O)NCc1ccc2c(c1)OCO2 ZINC000003377218 506325832 /nfs/dbraw/zinc/32/58/32/506325832.db2.gz OJEQZILIMMNUFG-UHFFFAOYSA-N 0 0 357.366 2.669 50 5 FFBARN COc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000003498244 506336842 /nfs/dbraw/zinc/33/68/42/506336842.db2.gz KTXOOBZEARTEPT-NSHDSACASA-N 0 0 374.349 2.796 50 5 FFBARN COc1cccc(C2=N/C(=C/c3cc4c(cc3[N+](=O)[O-])OCO4)C(=O)O2)c1 ZINC000003532113 506340254 /nfs/dbraw/zinc/34/02/54/506340254.db2.gz CIGATYVXCZUNCC-AWNIVKPZSA-N 0 0 368.301 2.677 50 5 FFBARN CCSCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000004064412 506356823 /nfs/dbraw/zinc/35/68/23/506356823.db2.gz HJLNZUCMDYEXBK-AWEZNQCLSA-N 0 0 365.411 2.519 50 5 FFBARN O=C1OCC2=C1[C@@H](c1ccccc1[N+](=O)[O-])c1cc3c(cc1N2)OCO3 ZINC000004052198 506357565 /nfs/dbraw/zinc/35/75/65/506357565.db2.gz HQXKDBWLBLPDJV-INIZCTEOSA-N 0 0 352.302 2.692 50 5 FFBARN Cc1ccc(S(=O)(=O)NCCNc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000004689118 506388099 /nfs/dbraw/zinc/38/80/99/506388099.db2.gz YQOORQKCMBVZMV-UHFFFAOYSA-N 0 0 369.830 2.947 50 5 FFBARN Cc1ccc(F)c(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H](C)C2=O)c1 ZINC000037520274 506426405 /nfs/dbraw/zinc/42/64/05/506426405.db2.gz IDLRRAQBYIWJBW-ZDUSSCGKSA-N 0 0 371.368 2.920 50 5 FFBARN C[C@@H]1C(=O)N(c2ccc([N+](=O)[O-])cc2)CCN1C(=O)c1ccc(F)cc1 ZINC000037522067 506427410 /nfs/dbraw/zinc/42/74/10/506427410.db2.gz RMILMMJFRNEBFL-GFCCVEGCSA-N 0 0 357.341 2.611 50 5 FFBARN O=C(COC(=O)CCC(=O)c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000005505780 506446526 /nfs/dbraw/zinc/44/65/26/506446526.db2.gz VTYWFATYMHSFIX-UHFFFAOYSA-N 0 0 374.324 2.879 50 5 FFBARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000005578926 506450425 /nfs/dbraw/zinc/45/04/25/506450425.db2.gz UAGGQZAJJINLDJ-UHFFFAOYSA-N 0 0 374.349 2.959 50 5 FFBARN C[C@@H](Oc1ccccc1)C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000005961353 506462804 /nfs/dbraw/zinc/46/28/04/506462804.db2.gz XEOHLWJFLCNVMI-LLVKDONJSA-N 0 0 362.313 2.683 50 5 FFBARN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](C)N1CCc2sccc2C1 ZINC000040074365 506463322 /nfs/dbraw/zinc/46/33/22/506463322.db2.gz URCKYKZYHABBOJ-NSHDSACASA-N 0 0 360.439 2.536 50 5 FFBARN O=[N+]([O-])c1cccc(NC(=S)N2CCN(c3cccc(O)c3)CC2)c1 ZINC000006402384 506481216 /nfs/dbraw/zinc/48/12/16/506481216.db2.gz KVOGWAWHGDZIQV-UHFFFAOYSA-N 0 0 358.423 2.819 50 5 FFBARN COc1ccccc1N1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 ZINC000007752068 506587338 /nfs/dbraw/zinc/58/73/38/506587338.db2.gz PJJDIEXJKRHFGV-SOFGYWHQSA-N 0 0 357.366 2.558 50 5 FFBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(c2cnccn2)CC1 ZINC000010646002 506750094 /nfs/dbraw/zinc/75/00/94/506750094.db2.gz KYSQGWAODBLQTN-UHFFFAOYSA-N 0 0 353.304 2.730 50 5 FFBARN CCN(CC)C(=O)COC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000011276816 506770900 /nfs/dbraw/zinc/77/09/00/506770900.db2.gz YVPXGARABZUGFP-UHFFFAOYSA-N 0 0 366.417 2.566 50 5 FFBARN COCc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000044548990 506857028 /nfs/dbraw/zinc/85/70/28/506857028.db2.gz DVMCAXJTIKJTOM-UHFFFAOYSA-N 0 0 371.393 2.830 50 5 FFBARN COc1ccc(Nc2nc(N)c([N+](=O)[O-])c(NCc3ccco3)n2)cc1 ZINC000012551584 506877874 /nfs/dbraw/zinc/87/78/74/506877874.db2.gz AYOIYAVJZLBBFK-UHFFFAOYSA-N 0 0 356.342 2.924 50 5 FFBARN Cc1c(NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)c(=O)n(-c2ccccc2)n1C ZINC000012624119 506885673 /nfs/dbraw/zinc/88/56/73/506885673.db2.gz ASBKXIFBRMYLGP-CSKARUKUSA-N 0 0 368.349 2.638 50 5 FFBARN Cc1ccc([C@H](CN2CCOCC2)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000012795752 506903659 /nfs/dbraw/zinc/90/36/59/506903659.db2.gz KHRGZXBEYNEPQK-IBGZPJMESA-N 0 0 369.421 2.707 50 5 FFBARN C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(-n2cncn2)cc1 ZINC000012977936 506920098 /nfs/dbraw/zinc/92/00/98/506920098.db2.gz KIWICBBSGCGUAZ-ZDUSSCGKSA-N 0 0 351.366 2.595 50 5 FFBARN Cc1ccc(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)cc1[N+](=O)[O-] ZINC000012997381 506923778 /nfs/dbraw/zinc/92/37/78/506923778.db2.gz SLMHHYHDUAHTBT-UHFFFAOYSA-N 0 0 367.361 2.805 50 5 FFBARN O=[N+]([O-])c1cc2n[nH]c(I)c2c(Br)c1 ZINC000014983671 507010159 /nfs/dbraw/zinc/01/01/59/507010159.db2.gz HLNODHWVZMMHLW-UHFFFAOYSA-N 0 0 367.928 2.838 50 5 FFBARN CCOC(=O)C1=C(C)N(CC)C(=O)N[C@H]1c1ccc(OC)c([N+](=O)[O-])c1 ZINC000015016959 507011426 /nfs/dbraw/zinc/01/14/26/507011426.db2.gz LEMRLNVKFMWNBS-HNNXBMFYSA-N 0 0 363.370 2.527 50 5 FFBARN O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCCO2 ZINC000015139230 507021986 /nfs/dbraw/zinc/02/19/86/507021986.db2.gz FMMPLSRFYYQQQQ-UHFFFAOYSA-N 0 0 357.366 2.598 50 5 FFBARN C[C@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H](c2ccccc2)O1 ZINC000067892946 507043365 /nfs/dbraw/zinc/04/33/65/507043365.db2.gz XZLZALHDVCQLTG-SUMWQHHRSA-N 0 0 369.377 2.522 50 5 FFBARN Cc1cc(C)cc(OCC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000018077794 507136431 /nfs/dbraw/zinc/13/64/31/507136431.db2.gz QTZLBEWLGHYRRB-UHFFFAOYSA-N 0 0 369.421 2.939 50 5 FFBARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000018100082 507137606 /nfs/dbraw/zinc/13/76/06/507137606.db2.gz ZSXZOOQHTYPIID-UHFFFAOYSA-N 0 0 372.768 2.757 50 5 FFBARN Cc1ccc(NC(=O)CCCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c([N+](=O)[O-])c1 ZINC000018227918 507146392 /nfs/dbraw/zinc/14/63/92/507146392.db2.gz UZPLMHHJQJRWAR-KBPBESRZSA-N 0 0 371.393 2.573 50 5 FFBARN CCCCCn1cc2c(c1-c1cccc([N+](=O)[O-])c1)c(=O)n(C)c(=O)n2C ZINC000020443233 507221890 /nfs/dbraw/zinc/22/18/90/507221890.db2.gz PHKVBVHZIYALEC-UHFFFAOYSA-N 0 0 370.409 2.804 50 5 FFBARN COC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000022197351 507282446 /nfs/dbraw/zinc/28/24/46/507282446.db2.gz ADYPLLJQUBIFBQ-UHFFFAOYSA-N 0 0 364.379 2.515 50 5 FFBARN COc1cc2c(cc1OC)[C@H](c1cc(OC)c(OC)cc1[N+](=O)[O-])NCC2 ZINC000022204804 507282718 /nfs/dbraw/zinc/28/27/18/507282718.db2.gz BPZRORNUZRKVSV-LJQANCHMSA-N 0 0 374.393 2.864 50 5 FFBARN O=C(CN1C(=O)CSc2ccccc21)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000022870027 507317215 /nfs/dbraw/zinc/31/72/15/507317215.db2.gz PVWBCZVTYQABDC-UHFFFAOYSA-N 0 0 361.354 2.811 50 5 FFBARN Cc1nn2c(SCC(=O)c3ccccc3)nc3ccccc3c2nc1=O ZINC000058159426 507375957 /nfs/dbraw/zinc/37/59/57/507375957.db2.gz PWRCOYMRXGDBQT-UHFFFAOYSA-N 0 0 362.414 2.921 50 5 FFBARN COc1ccc(C(=O)NCCc2ccn(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000058209249 507385086 /nfs/dbraw/zinc/38/50/86/507385086.db2.gz LSBVIEJICQRZQF-UHFFFAOYSA-N 0 0 366.377 2.762 50 5 FFBARN CCc1cc2c(ncnc2N[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000024060898 507389928 /nfs/dbraw/zinc/38/99/28/507389928.db2.gz AQQIGBDKEACOEU-CABCVRRESA-N 0 0 374.422 2.668 50 5 FFBARN O=C(NCCOc1ccc(F)cc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000024745901 507435700 /nfs/dbraw/zinc/43/57/00/507435700.db2.gz VBGCZUKUBFDDPS-UHFFFAOYSA-N 0 0 370.340 2.728 50 5 FFBARN C[C@H]1CCC[C@H](C)N1C(=O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000024796423 507438221 /nfs/dbraw/zinc/43/82/21/507438221.db2.gz ZIKRIZPVJWAUGF-HOTGVXAUSA-N 0 0 360.458 2.506 50 5 FFBARN CCCCn1nc(C(=O)N(C)[C@H](C)c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000025831297 507538247 /nfs/dbraw/zinc/53/82/47/507538247.db2.gz HLFNWRZLTRQOSG-CYBMUJFWSA-N 0 0 358.398 2.785 50 5 FFBARN CCC(=O)N(C)c1ccccc1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000072306901 507774170 /nfs/dbraw/zinc/77/41/70/507774170.db2.gz XNEJZMOHURYVKP-UHFFFAOYSA-N 0 0 370.409 2.810 50 5 FFBARN NS(=O)(=O)c1ccc(N2CCC[C@H]2c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000052510581 507811379 /nfs/dbraw/zinc/81/13/79/507811379.db2.gz WQHUMCQYBVNQAV-AWEZNQCLSA-N 0 0 365.386 2.723 50 5 FFBARN O=C(Nc1cc(Oc2ccc([N+](=O)[O-])cc2F)ccn1)N1CCOCC1 ZINC000091294577 507979225 /nfs/dbraw/zinc/97/92/25/507979225.db2.gz PXCLOBPSDSYDFW-UHFFFAOYSA-N 0 0 362.317 2.785 50 5 FFBARN O=C1[C@@H]2ON=C(c3ccccc3Cl)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000103539526 508317572 /nfs/dbraw/zinc/31/75/72/508317572.db2.gz VFNIMOBWDOSCKR-DZGCQCFKSA-N 0 0 371.736 2.541 50 5 FFBARN Cc1ccc(S(=O)(=O)Nc2cccc(C(C)(C)O)c2)cc1[N+](=O)[O-] ZINC000170610527 509678764 /nfs/dbraw/zinc/67/87/64/509678764.db2.gz WLNDMAMQKWRRIZ-UHFFFAOYSA-N 0 0 350.396 2.931 50 5 FFBARN O=C1[C@@H](Oc2cccnc2[N+](=O)[O-])CCN1c1ccccc1OC(F)F ZINC000115964065 570927164 /nfs/dbraw/zinc/92/71/64/570927164.db2.gz MOSBZOPBYFCDTP-ZDUSSCGKSA-N 0 0 365.292 2.776 50 5 FFBARN COc1ccc(CNC(=O)/C=C\c2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000096911695 964152830 /nfs/dbraw/zinc/15/28/30/964152830.db2.gz REMYQMHZBPZZSC-DAXSKMNVSA-N 0 0 370.361 2.800 50 5 FFBARN Cc1ccc(S(=O)(=O)CCC(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000001135921 219378471 /nfs/dbraw/zinc/37/84/71/219378471.db2.gz ZKZAUNYGRBWOLG-UHFFFAOYSA-N 0 0 363.391 2.810 50 5 FFBARN CC(=O)Nc1ccc(Nc2ccc(N3C(=O)CCC3=O)cc2[N+](=O)[O-])cc1 ZINC000004684405 219595671 /nfs/dbraw/zinc/59/56/71/219595671.db2.gz JOAJOIOLIJZVPP-UHFFFAOYSA-N 0 0 368.349 2.950 50 5 FFBARN C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1cccc(F)c1 ZINC000007338976 219801242 /nfs/dbraw/zinc/80/12/42/219801242.db2.gz PGHPDQLKGAWVOK-LBPRGKRZSA-N 0 0 360.341 2.938 50 5 FFBARN CNc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1ccc(C)cc1F ZINC000008705086 209473351 /nfs/dbraw/zinc/47/33/51/209473351.db2.gz CRGBSPIWQNJEKF-UHFFFAOYSA-N 0 0 361.329 2.880 50 5 FFBARN O=C(Cn1nc(-c2cccs2)ccc1=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000005388127 209438841 /nfs/dbraw/zinc/43/88/41/209438841.db2.gz HNLHREZAIBJXRB-UHFFFAOYSA-N 0 0 374.353 2.658 50 5 FFBARN CC(C)(C)n1nc2c(c1NC(=O)c1cccc([N+](=O)[O-])c1)C[S@](=O)C2 ZINC000004106099 209414616 /nfs/dbraw/zinc/41/46/16/209414616.db2.gz RMPIYPDSERDBCR-RUZDIDTESA-N 0 0 362.411 2.561 50 5 FFBARN COc1cccc2c3nc(-c4cccc([N+](=O)[O-])c4)nc(N)c3c(=O)oc12 ZINC000226761737 209368678 /nfs/dbraw/zinc/36/86/78/209368678.db2.gz BNZBNUMXIXPJNQ-UHFFFAOYSA-N 0 0 364.317 2.902 50 5 FFBARN Cc1ccccc1OCCN(C)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000045798702 209328656 /nfs/dbraw/zinc/32/86/56/209328656.db2.gz BGDHDIQTXGKLRM-UHFFFAOYSA-N 0 0 364.423 2.744 50 5 FFBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000102547699 209236958 /nfs/dbraw/zinc/23/69/58/209236958.db2.gz VDQCPZZGQXMZHZ-HUUCEWRRSA-N 0 0 371.393 2.573 50 5 FFBARN COc1ccccc1C([O-])=CC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000101354831 209224360 /nfs/dbraw/zinc/22/43/60/209224360.db2.gz ZBFVZWBYKCNNSJ-UHFFFAOYSA-N 0 0 356.334 2.692 50 5 FFBARN COc1ccc(C(=O)Nc2ccccc2N2CCCC2=O)cc1[N+](=O)[O-] ZINC000016105454 220178976 /nfs/dbraw/zinc/17/89/76/220178976.db2.gz VUWMETXGUJZDBB-UHFFFAOYSA-N 0 0 355.350 2.983 50 5 FFBARN O=C1OC(c2ccc([N+](=O)[O-])cc2)=NC1=CNc1ccc2c(c1)OCCO2 ZINC000002946304 206947495 /nfs/dbraw/zinc/94/74/95/206947495.db2.gz QMTKERSZEZFWHR-GXDHUFHOSA-N 0 0 367.317 2.623 50 5 FFBARN CCCn1c(C)cc(C(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1C ZINC000003602259 206986508 /nfs/dbraw/zinc/98/65/08/206986508.db2.gz IJCFHAPADXKNIU-UHFFFAOYSA-N 0 0 369.377 2.902 50 5 FFBARN CN(C)c1c([N+](=O)[O-])cc(C(=O)OCC(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000004181266 207006537 /nfs/dbraw/zinc/00/65/37/207006537.db2.gz WALCWFDTDZUOGM-UHFFFAOYSA-N 0 0 373.321 2.609 50 5 FFBARN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccn(C34CC5CC(CC(C5)C3)C4)n2)n1 ZINC000004652168 207033560 /nfs/dbraw/zinc/03/35/60/207033560.db2.gz DSDQUPWQEWGEMI-UHFFFAOYSA-N 0 0 370.413 2.702 50 5 FFBARN Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000004627769 207033656 /nfs/dbraw/zinc/03/36/56/207033656.db2.gz CCHBHCRFIQTQIN-UHFFFAOYSA-N 0 0 352.822 2.838 50 5 FFBARN CCCCOC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000004598016 207030442 /nfs/dbraw/zinc/03/04/42/207030442.db2.gz XXRODLHIWLMQOX-OAHLLOKOSA-N 0 0 357.370 2.819 50 5 FFBARN C[C@H](CCc1ccccc1)Nc1c([N+](=O)[O-])nn(-c2ccccc2)[n+]1[O-] ZINC000004807395 207050027 /nfs/dbraw/zinc/05/00/27/207050027.db2.gz UEVHHEURSMYBKQ-CQSZACIVSA-N 0 0 353.382 2.847 50 5 FFBARN O=C(COC(=O)CCC(=O)c1cccs1)Nc1ccccc1[N+](=O)[O-] ZINC000004979510 207067867 /nfs/dbraw/zinc/06/78/67/207067867.db2.gz AATGUDIHSLEHQR-UHFFFAOYSA-N 0 0 362.363 2.801 50 5 FFBARN CC(=O)Nc1ccc(NC(=O)[C@H](C)Oc2ccc(C)nc2[N+](=O)[O-])cc1 ZINC000004891460 207059030 /nfs/dbraw/zinc/05/90/30/207059030.db2.gz KOLWWWLZFVVBFF-NSHDSACASA-N 0 0 358.354 2.663 50 5 FFBARN Cc1ccc(N2C(=O)C[C@@]3(CC(c4cccc([N+](=O)[O-])c4)=NO3)C2=O)cc1 ZINC000005053153 207076736 /nfs/dbraw/zinc/07/67/36/207076736.db2.gz IFOQFYBTRATCGS-IBGZPJMESA-N 0 0 365.345 2.730 50 5 FFBARN O=C(COC(=O)c1ccco1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000005560631 207106693 /nfs/dbraw/zinc/10/66/93/207106693.db2.gz LLRBWJPWOFPYCO-UHFFFAOYSA-N 0 0 369.127 2.746 50 5 FFBARN COc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc(-c2nnco2)cc1 ZINC000006601778 207148487 /nfs/dbraw/zinc/14/84/87/207148487.db2.gz OSSSXAHXWUXOPZ-UHFFFAOYSA-N 0 0 370.321 2.671 50 5 FFBARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000007169326 207189890 /nfs/dbraw/zinc/18/98/90/207189890.db2.gz BEVQSYZHIPLEDZ-GFCCVEGCSA-N 0 0 355.350 2.738 50 5 FFBARN COc1ccc(-c2noc(COc3ccc(C)nc3[N+](=O)[O-])n2)cc1OC ZINC000007180755 207190307 /nfs/dbraw/zinc/19/03/07/207190307.db2.gz XMUYNEYQXKJAOB-UHFFFAOYSA-N 0 0 372.337 2.944 50 5 FFBARN C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N)C(=O)Nc1ccc(F)cc1F ZINC000007206848 207190714 /nfs/dbraw/zinc/19/07/14/207190714.db2.gz ROIBIMQEYMNOSD-QMMMGPOBSA-N 0 0 365.292 2.639 50 5 FFBARN O=C(Cn1c(=O)cnc2ccccc21)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000007718652 207203205 /nfs/dbraw/zinc/20/32/05/207203205.db2.gz PNPJDWOSXXMPMT-UHFFFAOYSA-N 0 0 358.741 2.597 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1C(=O)NCCCn1cnc2ccccc21 ZINC000008174632 207222118 /nfs/dbraw/zinc/22/21/18/207222118.db2.gz QDQNJVNQDGUTBV-UHFFFAOYSA-N 0 0 354.366 2.773 50 5 FFBARN COc1ccc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)c([N+](=O)[O-])c1 ZINC000008246464 207225118 /nfs/dbraw/zinc/22/51/18/207225118.db2.gz HLIYTBXGEADWIB-UHFFFAOYSA-N 0 0 373.365 2.687 50 5 FFBARN COc1ccc(N2C[C@H](C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)CC2=O)cc1 ZINC000008473885 207233928 /nfs/dbraw/zinc/23/39/28/207233928.db2.gz GHARDRZHASZXPZ-LLVKDONJSA-N 0 0 373.340 2.734 50 5 FFBARN COc1ccc(Nc2nc(=NN)nc(Nc3ccc([N+](=O)[O-])cc3)[nH]2)cc1 ZINC000009310371 207264317 /nfs/dbraw/zinc/26/43/17/207264317.db2.gz RPHUTFTWAGOKED-UHFFFAOYSA-N 0 0 368.357 2.561 50 5 FFBARN C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2cccc(F)c2F)C1=O ZINC000009048853 207255596 /nfs/dbraw/zinc/25/55/96/207255596.db2.gz SSQFDXHYPYGAIE-KRWDZBQOSA-N 0 0 361.304 2.840 50 5 FFBARN CCN(CC)[C@H](C(=O)NC1CCCC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000036644157 207285967 /nfs/dbraw/zinc/28/59/67/207285967.db2.gz LTSSQRZCUMEKCX-KRWDZBQOSA-N 0 0 363.414 2.765 50 5 FFBARN Cc1ccc([N+](=O)[O-])c(OCC(=O)Nc2cccc(C(=O)NC3CC3)c2)c1 ZINC000010347082 207298917 /nfs/dbraw/zinc/29/89/17/207298917.db2.gz QMTNAUSIWNTCGC-UHFFFAOYSA-N 0 0 369.377 2.813 50 5 FFBARN O=C(COc1ccc2[nH]c3ccccc3c(=O)c2c1)NCC(F)(F)F ZINC000012522164 207384618 /nfs/dbraw/zinc/38/46/18/207384618.db2.gz XBFICMQHHUQWFZ-UHFFFAOYSA-N 0 0 350.296 2.739 50 5 FFBARN Cc1nc(NC(=O)COc2ccccc2[N+](=O)[O-])sc1-c1nccn1C ZINC000012574313 207395332 /nfs/dbraw/zinc/39/53/32/207395332.db2.gz KAQGZYWXIQGQTF-UHFFFAOYSA-N 0 0 373.394 2.778 50 5 FFBARN O=[N+]([O-])c1ccccc1S(=O)(=O)NCCOc1ccccc1Cl ZINC000030835729 208006459 /nfs/dbraw/zinc/00/64/59/208006459.db2.gz OFLFGIJIFAUNIP-UHFFFAOYSA-N 0 0 356.787 2.606 50 5 FFBARN O=c1c2cc3c(ccn(CCC4=CCCCC4)c3=O)nc2ccn1CCO ZINC000036358000 208156910 /nfs/dbraw/zinc/15/69/10/208156910.db2.gz MUICOWRJPGNGBM-UHFFFAOYSA-N 0 0 365.433 2.594 50 5 FFBARN CC(=O)NCCc1ccc(C(=O)COc2ccc(C)cc2[N+](=O)[O-])cc1F ZINC000040116506 208229655 /nfs/dbraw/zinc/22/96/55/208229655.db2.gz GQNACLDEDDOZKE-UHFFFAOYSA-N 0 0 374.368 2.983 50 5 FFBARN Cc1c(F)cc(C(=O)NCc2ccc(-n3cccn3)nc2)cc1[N+](=O)[O-] ZINC000040141753 208233126 /nfs/dbraw/zinc/23/31/26/208233126.db2.gz UBOMIJIQLHBOFS-UHFFFAOYSA-N 0 0 355.329 2.553 50 5 FFBARN O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000041093885 208280059 /nfs/dbraw/zinc/28/00/59/208280059.db2.gz BOIRDIKIVIBIMK-LJQANCHMSA-N 0 0 351.362 2.878 50 5 FFBARN C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CCOc2cccc(F)c2)C1=O ZINC000041702209 208286872 /nfs/dbraw/zinc/28/68/72/208286872.db2.gz AGQOARXMSCEVGG-SFHVURJKSA-N 0 0 373.340 2.580 50 5 FFBARN C[C@@]1(c2ccc(F)cc2)NC(=O)N(CCOc2ccccc2[N+](=O)[O-])C1=O ZINC000047354399 208378700 /nfs/dbraw/zinc/37/87/00/208378700.db2.gz XBVLTOJKLXIWIW-SFHVURJKSA-N 0 0 373.340 2.580 50 5 FFBARN COc1cc(C(=O)N2CCN(c3ccccc3)CC2)c([N+](=O)[O-])cc1OC ZINC000000851734 132379032 /nfs/dbraw/zinc/37/90/32/132379032.db2.gz KWBGMKHJLMAMSJ-UHFFFAOYSA-N 0 0 371.393 2.574 50 5 FFBARN O=[N+]([O-])c1cccc(-c2csc(N3CCN(c4ncccn4)CC3)n2)c1 ZINC000001058996 132379875 /nfs/dbraw/zinc/37/98/75/132379875.db2.gz VEFTUWLYPMSCLG-UHFFFAOYSA-N 0 0 368.422 2.835 50 5 FFBARN Cc1ccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1C ZINC000003904048 132385933 /nfs/dbraw/zinc/38/59/33/132385933.db2.gz ALRYDYJOMIQSLN-UHFFFAOYSA-N 0 0 369.421 2.939 50 5 FFBARN COc1ccccc1Nc1cc(N2CCOCC2)c2nonc2c1[N+](=O)[O-] ZINC000004949459 132825465 /nfs/dbraw/zinc/82/54/65/132825465.db2.gz SAOLVHFXHTZATP-UHFFFAOYSA-N 0 0 371.353 2.720 50 5 FFBARN Cc1cccc(N2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)c1C ZINC000005864867 132830470 /nfs/dbraw/zinc/83/04/70/132830470.db2.gz XQRTYHLKGXFQTJ-UHFFFAOYSA-N 0 0 354.410 2.637 50 5 FFBARN CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003449507 263329450 /nfs/dbraw/zinc/32/94/50/263329450.db2.gz PQIGQVIRSYHTJH-UHFFFAOYSA-N 0 0 357.366 2.704 50 5 FFBARN O=C(Nc1ccccc1C(=O)NCc1ccccn1)c1ccc([N+](=O)[O-])o1 ZINC000001042569 506245848 /nfs/dbraw/zinc/24/58/48/506245848.db2.gz LKYUPGWOYAPWCX-UHFFFAOYSA-N 0 0 366.333 2.765 50 5 FFBARN CCC(=O)c1ccc(OCC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000001108324 506249871 /nfs/dbraw/zinc/24/98/71/506249871.db2.gz HIZNRSQOEPZWME-UHFFFAOYSA-N 0 0 372.377 2.891 50 5 FFBARN Cc1cc(CNC(=O)CCCn2cc([N+](=O)[O-])cn2)c2ccccc2n1 ZINC000001423682 506262913 /nfs/dbraw/zinc/26/29/13/506262913.db2.gz LIYCXVSEIDQQGY-UHFFFAOYSA-N 0 0 353.382 2.745 50 5 FFBARN Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)N[C@@H](C)c1ccccc1 ZINC000001506575 506264238 /nfs/dbraw/zinc/26/42/38/506264238.db2.gz HMJWKQGTDWANCX-VIFPVBQESA-N 0 0 367.203 2.740 50 5 FFBARN COc1ccc(S(=O)(=O)Oc2ccc(C)cc2[N+](=O)[O-])cc1OC ZINC000002158377 506274113 /nfs/dbraw/zinc/27/41/13/506274113.db2.gz NVFXMHZOYXAVSF-UHFFFAOYSA-N 0 0 353.352 2.688 50 5 FFBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCn1ncc(=O)c2ccccc21 ZINC000052930868 506281413 /nfs/dbraw/zinc/28/14/13/506281413.db2.gz KCHVSGZJVOBSSL-UHFFFAOYSA-N 0 0 352.350 2.642 50 5 FFBARN Cc1nn(CC(=O)Nc2ccc(Br)cc2F)c(C)c1[N+](=O)[O-] ZINC000002764055 506291769 /nfs/dbraw/zinc/29/17/69/506291769.db2.gz MEDBMMQHRHQURG-UHFFFAOYSA-N 0 0 371.166 2.948 50 5 FFBARN O=C(Nc1ccc(Cl)cc1F)c1ccn(Cn2cc([N+](=O)[O-])cn2)n1 ZINC000002797049 506293476 /nfs/dbraw/zinc/29/34/76/506293476.db2.gz YWNHZKZWFUWDKP-UHFFFAOYSA-N 0 0 364.724 2.538 50 5 FFBARN Cc1ccc(SCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000002985727 506305977 /nfs/dbraw/zinc/30/59/77/506305977.db2.gz ZJKRXGWDDPTCDP-UHFFFAOYSA-N 0 0 352.437 2.974 50 5 FFBARN CCOc1ncccc1C(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003228340 506312672 /nfs/dbraw/zinc/31/26/72/506312672.db2.gz RMTDLVVUIHXREV-NSHDSACASA-N 0 0 359.338 2.573 50 5 FFBARN O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cc(F)c(F)c(F)c1F ZINC000003229511 506313803 /nfs/dbraw/zinc/31/38/03/506313803.db2.gz XBWYOBHOTFCWME-LLVKDONJSA-N 0 0 358.247 2.615 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc2ccccn21 ZINC000003496138 506336319 /nfs/dbraw/zinc/33/63/19/506336319.db2.gz WZLIPQCLVGWGPE-SNVBAGLBSA-N 0 0 373.394 2.765 50 5 FFBARN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccnc1Cl ZINC000003523761 506339702 /nfs/dbraw/zinc/33/97/02/506339702.db2.gz LDHXJGZTHQXWAH-UHFFFAOYSA-N 0 0 350.714 2.867 50 5 FFBARN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cc2c(cc1Cl)NC(=O)CO2 ZINC000033193867 506345530 /nfs/dbraw/zinc/34/55/30/506345530.db2.gz MXYRAUIFASHGLA-UHFFFAOYSA-N 0 0 361.741 2.760 50 5 FFBARN CCN(CC)C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1 ZINC000004093767 506358726 /nfs/dbraw/zinc/35/87/26/506358726.db2.gz UYHOGSQJHNHBLA-QINSGFPZSA-N 0 0 357.366 2.827 50 5 FFBARN CNc1cc(N2CCN(C(=O)c3cccc(F)c3)CC2)ccc1[N+](=O)[O-] ZINC000004688247 506388059 /nfs/dbraw/zinc/38/80/59/506388059.db2.gz WSWKJLMURBZLCA-UHFFFAOYSA-N 0 0 358.373 2.738 50 5 FFBARN C[C@]1(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1(Cl)Cl ZINC000004740707 506392049 /nfs/dbraw/zinc/39/20/49/506392049.db2.gz SMRWYZIJENJMEY-CQSZACIVSA-N 0 0 358.225 2.827 50 5 FFBARN COc1ccc(OC)c(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000005550087 506448434 /nfs/dbraw/zinc/44/84/34/506448434.db2.gz AFGVXSQAYKERLY-UHFFFAOYSA-N 0 0 361.379 2.739 50 5 FFBARN COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000008816107 506670886 /nfs/dbraw/zinc/67/08/86/506670886.db2.gz CDAXJNZGDXIOSF-LLVKDONJSA-N 0 0 373.340 2.734 50 5 FFBARN O=C(NC[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccc([N+](=O)[O-])o1 ZINC000008985013 506676129 /nfs/dbraw/zinc/67/61/29/506676129.db2.gz UNUCUPKQIRPWIE-JTQLQIEISA-N 0 0 363.757 2.624 50 5 FFBARN O=C(NCc1ccccc1Cl)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000010326845 506737948 /nfs/dbraw/zinc/73/79/48/506737948.db2.gz FFJLWOFJYXEQGL-UHFFFAOYSA-N 0 0 351.721 2.642 50 5 FFBARN COC(=O)COc1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c(C)c1 ZINC000055906990 506883458 /nfs/dbraw/zinc/88/34/58/506883458.db2.gz PHDVXQPBGLOWMG-UHFFFAOYSA-N 0 0 374.349 2.716 50 5 FFBARN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccccc2[N+](=O)[O-])c1C ZINC000012823377 506908039 /nfs/dbraw/zinc/90/80/39/506908039.db2.gz CWGNRTLCBCLREE-NSHDSACASA-N 0 0 374.349 2.755 50 5 FFBARN Cc1c(NC(=O)CN2C(=O)CC3(CCCCC3)C2=O)cccc1[N+](=O)[O-] ZINC000012910693 506913032 /nfs/dbraw/zinc/91/30/32/506913032.db2.gz OHMXNGCGPMYTGD-UHFFFAOYSA-N 0 0 359.382 2.551 50 5 FFBARN O=C(NC(=O)C1CCN(c2ncccc2[N+](=O)[O-])CC1)Nc1ccccc1 ZINC000020421215 507220437 /nfs/dbraw/zinc/22/04/37/507220437.db2.gz JYVBBUSBFMDFHL-UHFFFAOYSA-N 0 0 369.381 2.555 50 5 FFBARN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000023383566 507349866 /nfs/dbraw/zinc/34/98/66/507349866.db2.gz NDRGXZWSFMQCIJ-HXUWFJFHSA-N 0 0 370.405 2.946 50 5 FFBARN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)OC1CCCCCCC1 ZINC000058049176 507367643 /nfs/dbraw/zinc/36/76/43/507367643.db2.gz ROMBXDMIASRLLG-UHFFFAOYSA-N 0 0 362.382 2.976 50 5 FFBARN O=C(NCc1ccccc1CN1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000024237475 507400312 /nfs/dbraw/zinc/40/03/12/507400312.db2.gz BNMRWXWFPDDOSM-UHFFFAOYSA-N 0 0 370.409 2.749 50 5 FFBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCc1ccccn1 ZINC000024490855 507415879 /nfs/dbraw/zinc/41/58/79/507415879.db2.gz KJUXIQCHEAFWDG-UHFFFAOYSA-N 0 0 357.413 2.909 50 5 FFBARN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(Cc2cccnc2)CC1 ZINC000024601704 507423126 /nfs/dbraw/zinc/42/31/26/507423126.db2.gz VVGVNDHITMHXPE-UHFFFAOYSA-N 0 0 360.801 2.601 50 5 FFBARN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1Cn1ncc(Cl)c(Cl)c1=O ZINC000024655127 507427397 /nfs/dbraw/zinc/42/73/97/507427397.db2.gz BTZRAULSENGBBY-QMMMGPOBSA-N 0 0 355.181 2.867 50 5 FFBARN CCSc1nc2c(n1C)CCN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000071414407 507701644 /nfs/dbraw/zinc/70/16/44/507701644.db2.gz AXECXEOFBIOYBP-MRXNPFEDSA-N 0 0 362.455 2.532 50 5 FFBARN O=C(Nc1ccc2c(c1)OCO2)c1cn(Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000071775249 507716632 /nfs/dbraw/zinc/71/66/32/507716632.db2.gz ZBOGZWPHCBMDNR-UHFFFAOYSA-N 0 0 366.333 2.821 50 5 FFBARN CCOc1ccc(C(=O)N(CC(=O)OC)c2ccccc2)cc1[N+](=O)[O-] ZINC000072290120 507772846 /nfs/dbraw/zinc/77/28/46/507772846.db2.gz WYUSKNVRFXGNIO-UHFFFAOYSA-N 0 0 358.350 2.813 50 5 FFBARN CS(=O)(=O)c1ccc(SC[C@@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000052427078 507808827 /nfs/dbraw/zinc/80/88/27/507808827.db2.gz YYNSPUXYKXKGGB-CQSZACIVSA-N 0 0 353.421 2.824 50 5 FFBARN O=c1nc2c3cc(Br)ccc3nnn2nc1-c1ccc(F)cc1 ZINC000089793796 507866968 /nfs/dbraw/zinc/86/69/68/507866968.db2.gz INAHLQYVDZRCCM-UHFFFAOYSA-N 0 0 372.157 2.601 50 5 FFBARN CCOC(=O)N1CCC[C@@H](C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000079056849 507928826 /nfs/dbraw/zinc/92/88/26/507928826.db2.gz VYAWIPTUEBVYCZ-CYBMUJFWSA-N 0 0 372.381 2.950 50 5 FFBARN CCOC(=O)N1CCC[C@H](C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000079056843 507928929 /nfs/dbraw/zinc/92/89/29/507928929.db2.gz VYAWIPTUEBVYCZ-ZDUSSCGKSA-N 0 0 372.381 2.950 50 5 FFBARN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C2=NNC(=O)CC2)cc1 ZINC000075094418 508082244 /nfs/dbraw/zinc/08/22/44/508082244.db2.gz GGWAUFHKJWVAHA-UHFFFAOYSA-N 0 0 352.350 2.770 50 5 FFBARN C[C@@]1(CCc2ccccc2)CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000075106854 508083167 /nfs/dbraw/zinc/08/31/67/508083167.db2.gz BNNMYMDISSKILM-LJQANCHMSA-N 0 0 354.410 2.938 50 5 FFBARN O=C1[C@@H]2ON=C(c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000103608102 508319146 /nfs/dbraw/zinc/31/91/46/508319146.db2.gz TXQJNUPPOMOQKK-DZGCQCFKSA-N 0 0 371.736 2.541 50 5 FFBARN CCCN(C[C@@H]1CCCCO1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000170622699 509683489 /nfs/dbraw/zinc/68/34/89/509683489.db2.gz XRYHNSRIHUJKSL-HNNXBMFYSA-N 0 0 356.444 2.873 50 5 FFBARN COc1ccc([N+](=O)[O-])c(N2C[C@H]3OCCN(Cc4ccccc4)[C@H]3C2)c1 ZINC000170664053 509707777 /nfs/dbraw/zinc/70/77/77/509707777.db2.gz AKLMTCGIMJQNNS-VQTJNVASSA-N 0 0 369.421 2.693 50 5 FFBARN Cn1c(=N)n(CC(=O)c2ccc(F)cc2)cc1-c1cccc([N+](=O)[O-])c1 ZINC000334157490 511466769 /nfs/dbraw/zinc/46/67/69/511466769.db2.gz BNNHCHUVAXGRBK-UHFFFAOYSA-N 0 0 354.341 2.903 50 5 FFBARN CN(C)C1=N[C@@H]2Nc3ccccc3N(C)[C@@H]2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000239174410 524037970 /nfs/dbraw/zinc/03/79/70/524037970.db2.gz PZFWIEROOQOKSF-KURKYZTESA-N 0 0 351.410 2.909 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1CN1c2ccccc2[C@H](C(N)=O)C[C@H]1C ZINC000058424539 536951640 /nfs/dbraw/zinc/95/16/40/536951640.db2.gz BDHYBMIDMIUTTA-MLGOLLRUSA-N 0 0 355.394 2.971 50 5 FFBARN COc1ccc(N2C(=O)C[C@H](Nc3cc(C)ccc3C)C2=O)c([N+](=O)[O-])c1 ZINC000102229212 570829760 /nfs/dbraw/zinc/82/97/60/570829760.db2.gz XEDUUWVZSSPUND-HNNXBMFYSA-N 0 0 369.377 2.964 50 5 FFBARN Cc1noc(C)c1CN1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000047254157 570883934 /nfs/dbraw/zinc/88/39/34/570883934.db2.gz MFPDSDGXZDZHKU-BQYQJAHWSA-N 0 0 370.409 2.557 50 5 FFBARN Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)NCCCN2CCOCC2)o1 ZINC000022145908 961871966 /nfs/dbraw/zinc/87/19/66/961871966.db2.gz ZPEDNVBFBBLLQD-UHFFFAOYSA-N 0 0 373.409 2.615 50 5 FFBARN COc1cc(/C=C\C(=O)NC[C@@H]2CCCO2)c([N+](=O)[O-])cc1OC(F)F ZINC000096942911 1012484087 /nfs/dbraw/zinc/48/40/87/1012484087.db2.gz TZXOEWRVZNDTDO-WYGGZMRJSA-N 0 0 372.324 2.513 50 5 FFBARN CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000005966174 219707053 /nfs/dbraw/zinc/70/70/53/219707053.db2.gz GRABYAQRBLXOLY-LBPRGKRZSA-N 0 0 356.334 2.981 50 5 FFBARN COc1ccccc1N(CN1CCCC1=O)C(=O)c1ccccc1[N+](=O)[O-] ZINC000004137975 209415822 /nfs/dbraw/zinc/41/58/22/209415822.db2.gz IYAKFHLYYVLQOL-UHFFFAOYSA-N 0 0 369.377 2.830 50 5 FFBARN O=C(OCc1ccccc1)[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000002869308 209399719 /nfs/dbraw/zinc/39/97/19/209399719.db2.gz ASVJIMXEODKJGS-KRWDZBQOSA-N 0 0 354.362 2.943 50 5 FFBARN CC[C@H]1CCCCN1C(=O)Cn1nc([N+](=O)[O-])c(Br)c1C ZINC000000756435 209375730 /nfs/dbraw/zinc/37/57/30/209375730.db2.gz VMSZQHJEPVIJKC-JTQLQIEISA-N 0 0 359.224 2.653 50 5 FFBARN Cc1cccc(OCCNS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000046034205 209328969 /nfs/dbraw/zinc/32/89/69/209328969.db2.gz RRQIMBHNDPXXMY-UHFFFAOYSA-N 0 0 350.396 2.569 50 5 FFBARN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000043269382 209275757 /nfs/dbraw/zinc/27/57/57/209275757.db2.gz SDKKWSRDHOTYFO-UHFFFAOYSA-N 0 0 365.321 2.832 50 5 FFBARN Cc1ccccc1-c1nc2s/c(=C\c3ccccc3[N+](=O)[O-])c(=O)n2n1 ZINC000001294490 206872125 /nfs/dbraw/zinc/87/21/25/206872125.db2.gz VJTJVIUWMNXCRK-GDNBJRDFSA-N 0 0 364.386 2.582 50 5 FFBARN COC(=O)c1cc(C)sc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000002101569 206902136 /nfs/dbraw/zinc/90/21/36/206902136.db2.gz AKWFHEPOGWPUPH-UHFFFAOYSA-N 0 0 365.323 2.912 50 5 FFBARN COc1ccc(-c2nc3cc(OC(C)=O)ccc3c(=O)o2)cc1[N+](=O)[O-] ZINC000002850453 206939809 /nfs/dbraw/zinc/93/98/09/206939809.db2.gz FWSHOOQOSCTBTH-UHFFFAOYSA-N 0 0 356.290 2.697 50 5 FFBARN Cc1sc(NC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)c(C(N)=O)c1C ZINC000002872826 206942385 /nfs/dbraw/zinc/94/23/85/206942385.db2.gz RTTQPRFCXLPWPB-SECBINFHSA-N 0 0 363.395 2.778 50 5 FFBARN COc1ccc(C(=O)OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000003244929 206963083 /nfs/dbraw/zinc/96/30/83/206963083.db2.gz WPANGOPXLGEYEI-RYUDHWBXSA-N 0 0 350.371 2.550 50 5 FFBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000004081936 207000418 /nfs/dbraw/zinc/00/04/18/207000418.db2.gz NJWQKUFNDCQGNK-RUDMXATFSA-N 0 0 356.338 2.745 50 5 FFBARN CCOC(=O)c1sc(C)c2c1N[C@H](c1ccc([N+](=O)[O-])cc1)NC2=O ZINC000004311480 207012145 /nfs/dbraw/zinc/01/21/45/207012145.db2.gz JEOXTFPYSBFBER-AWEZNQCLSA-N 0 0 361.379 2.996 50 5 FFBARN COc1ccc([C@H](C[N+](=O)[O-])c2c(=O)[nH][nH]c2-c2ccccc2O)cc1 ZINC000004649735 207034341 /nfs/dbraw/zinc/03/43/41/207034341.db2.gz BRIZBOSOUSYVRZ-AWEZNQCLSA-N 0 0 355.350 2.905 50 5 FFBARN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc([N+](=O)[O-])ccc2Cl)C1=O ZINC000004695144 207039563 /nfs/dbraw/zinc/03/95/63/207039563.db2.gz WDMVEPJOKGCNPA-KEXZDQNZSA-N 0 0 370.770 2.846 50 5 FFBARN CCO[C@]12ON=C(c3cccc([N+](=O)[O-])c3)N1c1ccc(C)cc1C2=O ZINC000004709512 207039864 /nfs/dbraw/zinc/03/98/64/207039864.db2.gz CDQFNTROYLTGGV-GOSISDBHSA-N 0 0 353.334 2.988 50 5 FFBARN COc1ccc(N2C[C@@H](C(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2=O)cc1 ZINC000004810652 207049142 /nfs/dbraw/zinc/04/91/42/207049142.db2.gz VHACDOGHTZMDTR-ZDUSSCGKSA-N 0 0 369.377 2.903 50 5 FFBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CC(=O)O[C@]12CCOC(C)(C)C2 ZINC000005024681 207072205 /nfs/dbraw/zinc/07/22/05/207072205.db2.gz WPPNCEUAUFTUKU-ACJLOTCBSA-N 0 0 362.382 2.733 50 5 FFBARN COc1ccccc1N1C[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000005028133 207074180 /nfs/dbraw/zinc/07/41/80/207074180.db2.gz ZOPLBMJPCANAIR-LBPRGKRZSA-N 0 0 355.350 2.595 50 5 FFBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1cccn(OCc2ccccc2)c1=O ZINC000005054751 207076660 /nfs/dbraw/zinc/07/66/60/207076660.db2.gz DMGJRUAAJIQAEY-UHFFFAOYSA-N 0 0 365.345 2.638 50 5 FFBARN O=C(COC(=O)c1ccc2ccccc2n1)Nc1ccc([N+](=O)[O-])cc1 ZINC000005079962 207078737 /nfs/dbraw/zinc/07/87/37/207078737.db2.gz XWHIRDMIOCQZBC-UHFFFAOYSA-N 0 0 351.318 2.939 50 5 FFBARN O=C(COC(=O)c1ccc(O)cc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000005693656 207112345 /nfs/dbraw/zinc/11/23/45/207112345.db2.gz JEWNVVACWLHXAY-UHFFFAOYSA-N 0 0 350.714 2.749 50 5 FFBARN COc1cc(/C=C/C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1O ZINC000005781840 207116684 /nfs/dbraw/zinc/11/66/84/207116684.db2.gz PYFKLGQCRYWMOQ-YCRREMRBSA-N 0 0 372.333 2.504 50 5 FFBARN COc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000006055688 207128185 /nfs/dbraw/zinc/12/81/85/207128185.db2.gz LYVQURAZXZZIKU-LLVKDONJSA-N 0 0 374.349 2.796 50 5 FFBARN CCOc1ccc(NC(=O)CSc2nnc(C)s2)c([N+](=O)[O-])c1 ZINC000006351150 207138320 /nfs/dbraw/zinc/13/83/20/207138320.db2.gz SZRKACWQXGWAPQ-UHFFFAOYSA-N 0 0 354.413 2.884 50 5 FFBARN CS(=O)(=O)c1ccc(Oc2ccc(-n3ccnc3)cc2)c([N+](=O)[O-])c1 ZINC000006608693 207148509 /nfs/dbraw/zinc/14/85/09/207148509.db2.gz JFJLYMOLGHSHCY-UHFFFAOYSA-N 0 0 359.363 2.976 50 5 FFBARN Cc1cccc(OCCOC(=O)c2cc([N+](=O)[O-])ccc2NCCO)c1 ZINC000006465276 207142850 /nfs/dbraw/zinc/14/28/50/207142850.db2.gz RHPFFKOJKWLFRO-UHFFFAOYSA-N 0 0 360.366 2.543 50 5 FFBARN Cc1nn(CC(=O)Nc2ccc(Br)cc2)c(C)c1[N+](=O)[O-] ZINC000006881825 207174876 /nfs/dbraw/zinc/17/48/76/207174876.db2.gz JWZWZPBQFJLXLK-UHFFFAOYSA-N 0 0 353.176 2.809 50 5 FFBARN Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccnn2C(C)C)ccc1[N+](=O)[O-] ZINC000007529945 207197689 /nfs/dbraw/zinc/19/76/89/207197689.db2.gz AUELXHKSYINYSZ-LBPRGKRZSA-N 0 0 360.370 2.865 50 5 FFBARN O=C(NCCNc1ccccc1[N+](=O)[O-])c1ccc(Br)o1 ZINC000008145659 207220652 /nfs/dbraw/zinc/22/06/52/207220652.db2.gz ZNYZVLXKJNXMTR-UHFFFAOYSA-N 0 0 354.160 2.792 50 5 FFBARN CCNc1nnc(Sc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])s1 ZINC000009337387 207267420 /nfs/dbraw/zinc/26/74/20/207267420.db2.gz FWFUYYKGVOQCRI-UHFFFAOYSA-N 0 0 365.440 2.922 50 5 FFBARN COc1cc(SC)ccc1C(=O)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000009689960 207281466 /nfs/dbraw/zinc/28/14/66/207281466.db2.gz PECWJWVZBKLNIK-HNNXBMFYSA-N 0 0 362.407 2.789 50 5 FFBARN Cc1cc(NC(=O)[C@@H](c2ccccc2)n2nc(C)c([N+](=O)[O-])c2C)no1 ZINC000010214882 207297913 /nfs/dbraw/zinc/29/79/13/207297913.db2.gz UVGGINHZSMDCAF-MRXNPFEDSA-N 0 0 355.354 2.933 50 5 FFBARN CNc1ccc(C(=O)NCc2cnn(-c3ccccc3)c2)cc1[N+](=O)[O-] ZINC000010488189 207301687 /nfs/dbraw/zinc/30/16/87/207301687.db2.gz OOPHZHOJLCDJRR-UHFFFAOYSA-N 0 0 351.366 2.752 50 5 FFBARN O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000012136942 207341051 /nfs/dbraw/zinc/34/10/51/207341051.db2.gz LHVGULBGGJTIQO-CYBMUJFWSA-N 0 0 369.377 2.756 50 5 FFBARN Cc1ccc2c(c1)oc(=O)n2C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000022623385 207815186 /nfs/dbraw/zinc/81/51/86/207815186.db2.gz KERVGFZAMICNJR-UHFFFAOYSA-N 0 0 371.349 2.881 50 5 FFBARN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1Cc1cc(Cl)c2c(c1)OCCO2 ZINC000032739547 208037688 /nfs/dbraw/zinc/03/76/88/208037688.db2.gz OFKWZROPTUFBRQ-UHFFFAOYSA-N 0 0 374.736 2.816 50 5 FFBARN CCN(Cc1ccc2c(c1)OCCO2)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000036037204 208141003 /nfs/dbraw/zinc/14/10/03/208141003.db2.gz XYFUCVHAYXZJFZ-UHFFFAOYSA-N 0 0 356.378 2.957 50 5 FFBARN COc1ccc([C@H](Nc2c([N+](=O)[O-])c(C)nn2C)c2nccn2C)cc1 ZINC000040116244 208230307 /nfs/dbraw/zinc/23/03/07/208230307.db2.gz UEHQKERZBMYQNZ-AWEZNQCLSA-N 0 0 356.386 2.580 50 5 FFBARN COc1ccccc1CN(CCO)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000047323302 208375969 /nfs/dbraw/zinc/37/59/69/208375969.db2.gz OBIMFDVRNUDSAY-UHFFFAOYSA-N 0 0 359.382 2.938 50 5 FFBARN Cc1nn(C)c(C)c1[C@H](C)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000068256602 208745906 /nfs/dbraw/zinc/74/59/06/208745906.db2.gz FERFMAYABZFBQA-NSHDSACASA-N 0 0 355.398 2.777 50 5 FFBARN CCn1c(CNC(=O)COc2ccc([N+](=O)[O-])cc2)nc2ccccc21 ZINC000023053573 220409311 /nfs/dbraw/zinc/40/93/11/220409311.db2.gz MRCWYKZNVLGGHU-UHFFFAOYSA-N 0 0 354.366 2.660 50 5 FFBARN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000095452358 209052370 /nfs/dbraw/zinc/05/23/70/209052370.db2.gz VYUGUCGNBOJKJI-GFCCVEGCSA-N 0 0 366.324 2.737 50 5 FFBARN CC1(C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc([N+](=O)[O-])cc3)cc21 ZINC000095457185 209054474 /nfs/dbraw/zinc/05/44/74/209054474.db2.gz SRTSLAIXXOLWTG-UHFFFAOYSA-N 0 0 361.379 2.625 50 5 FFBARN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCN(c2ccc(O)cc2)CC1 ZINC000003340203 132385114 /nfs/dbraw/zinc/38/51/14/132385114.db2.gz OLANCEZHZFVROC-UHFFFAOYSA-N 0 0 373.434 2.741 50 5 FFBARN C[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000007202944 132839494 /nfs/dbraw/zinc/83/94/94/132839494.db2.gz OEAQSDGSPUQQIZ-LLVKDONJSA-N 0 0 370.365 2.521 50 5 FFBARN O=[N+]([O-])c1ccc(NCc2ccc(N3CCCC[C@@H]3CCO)nc2)nc1 ZINC000047253886 136122687 /nfs/dbraw/zinc/12/26/87/136122687.db2.gz NGXBHQPOLJKHQT-OAHLLOKOSA-N 0 0 357.414 2.738 50 5 FFBARN O=[N+]([O-])c1ccc(N2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000055526909 136126824 /nfs/dbraw/zinc/12/68/24/136126824.db2.gz ZVPWCDOFMSEUGJ-UHFFFAOYSA-N 0 0 365.393 2.967 50 5 FFBARN Cc1c(C(=O)N2NC(C3CC3)=C[C@@]2(O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000000651720 506226555 /nfs/dbraw/zinc/22/65/55/506226555.db2.gz PMYPQFGNTMMJRH-CQSZACIVSA-N 0 0 357.288 2.766 50 5 FFBARN Cc1nn(C)c(C)c1N1C(=O)c2cccc3c([N+](=O)[O-])ccc(c32)C1=O ZINC000000885750 506238740 /nfs/dbraw/zinc/23/87/40/506238740.db2.gz WSRPFSNFNBLSSY-UHFFFAOYSA-N 0 0 350.334 2.899 50 5 FFBARN CC(=O)Oc1ccccc1/C=C1/N=C(c2ccc([N+](=O)[O-])cc2)OC1=O ZINC000001041606 506245444 /nfs/dbraw/zinc/24/54/44/506245444.db2.gz GZHZFMNOBLXGKX-XNTDXEJSSA-N 0 0 352.302 2.865 50 5 FFBARN COc1ccc(C(=O)NC(=S)Nc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000001137220 506250205 /nfs/dbraw/zinc/25/02/05/506250205.db2.gz YNEASVJBVMRQBN-UHFFFAOYSA-N 0 0 361.379 2.739 50 5 FFBARN CC(=O)Nc1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000001171404 506251333 /nfs/dbraw/zinc/25/13/33/506251333.db2.gz HPOLSCWTUFZCDJ-UHFFFAOYSA-N 0 0 358.379 2.680 50 5 FFBARN COc1cc(C(=O)Nc2ccc(NC(C)=O)cc2)c([N+](=O)[O-])cc1OC ZINC000001218273 506256611 /nfs/dbraw/zinc/25/66/11/506256611.db2.gz PYQACRBBNQZYPI-UHFFFAOYSA-N 0 0 359.338 2.823 50 5 FFBARN Cc1nn(CC(=O)N(C)c2ccc(OC(F)(F)F)cc2)c(C)c1[N+](=O)[O-] ZINC000001427457 506261371 /nfs/dbraw/zinc/26/13/71/506261371.db2.gz VYBDKKQALNAEAQ-UHFFFAOYSA-N 0 0 372.303 2.970 50 5 FFBARN COc1cc2c(cc1OC)[C@@H](c1cc3c(cc1[N+](=O)[O-])OCO3)CC(=O)N2 ZINC000001440251 506261599 /nfs/dbraw/zinc/26/15/99/506261599.db2.gz ATBNZGVSEHYHFM-VIFPVBQESA-N 0 0 372.333 2.815 50 5 FFBARN Cc1ccc(S(=O)(=O)Oc2c([N+](=O)[O-])cc(C)cc2[N+](=O)[O-])cc1 ZINC000001628065 506267399 /nfs/dbraw/zinc/26/73/99/506267399.db2.gz LGWABQLVZMOIMO-UHFFFAOYSA-N 0 0 352.324 2.888 50 5 FFBARN CC(C)(C)C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000001891983 506270092 /nfs/dbraw/zinc/27/00/92/506270092.db2.gz LRXGNLYTSNBCHN-UHFFFAOYSA-N 0 0 369.424 2.869 50 5 FFBARN O=[N+]([O-])c1cnn(Cc2ccc(-c3nc4c5ccccc5ncn4n3)o2)c1 ZINC000002806462 506295205 /nfs/dbraw/zinc/29/52/05/506295205.db2.gz CQFGJTCFBKCNLB-UHFFFAOYSA-N 0 0 361.321 2.691 50 5 FFBARN COc1ccc(N[C@H]2CC(=O)N(c3cc([N+](=O)[O-])ccc3C)C2=O)cc1 ZINC000002879105 506299450 /nfs/dbraw/zinc/29/94/50/506299450.db2.gz DEDBECRSZKGNQV-HNNXBMFYSA-N 0 0 355.350 2.656 50 5 FFBARN Cc1ccc(S(=O)(=O)Oc2c(C)cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000003132927 506311619 /nfs/dbraw/zinc/31/16/19/506311619.db2.gz TZISYEQTDNULQX-UHFFFAOYSA-N 0 0 352.324 2.888 50 5 FFBARN COc1ccc(C(=O)O[C@@H](C)C(=O)N2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000003544702 506341855 /nfs/dbraw/zinc/34/18/55/506341855.db2.gz OBNDKLBEIRCITQ-LBPRGKRZSA-N 0 0 370.361 2.738 50 5 FFBARN CCOC(=O)CSc1cc([N+](=O)[O-])cc2sc(C(=O)OC)c(N)c21 ZINC000003617965 506347270 /nfs/dbraw/zinc/34/72/70/506347270.db2.gz ADWWVBBWJCKFCH-UHFFFAOYSA-N 0 0 370.408 2.834 50 5 FFBARN Cn1nc([N+](=O)[O-])c([N+](=O)[O-])c1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000033651634 506361762 /nfs/dbraw/zinc/36/17/62/506361762.db2.gz MHNUMHJNXNAAGI-UHFFFAOYSA-N 0 0 359.220 2.508 50 5 FFBARN O=C(N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000004497488 506379632 /nfs/dbraw/zinc/37/96/32/506379632.db2.gz YLMWATJQHUZMPR-ZDUSSCGKSA-N 0 0 359.769 2.784 50 5 FFBARN Cc1ccc(N2C[C@@H](NC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)CC2=O)cc1 ZINC000004497010 506378033 /nfs/dbraw/zinc/37/80/33/506378033.db2.gz WXKGCSRIFSGNBH-BCTQVIJGSA-N 0 0 365.389 2.838 50 5 FFBARN CC[C@H](C)NC(=O)COC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000004839943 506399316 /nfs/dbraw/zinc/39/93/16/506399316.db2.gz RJVKPCMVLKDAQO-ZDUSSCGKSA-N 0 0 363.414 2.657 50 5 FFBARN COc1ccc(NC(=O)CN(C)C(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000005511116 506446433 /nfs/dbraw/zinc/44/64/33/506446433.db2.gz WJUUUQCTMHTGSX-IZZDOVSWSA-N 0 0 369.377 2.714 50 5 FFBARN CCOc1ccccc1N1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000006250755 506473151 /nfs/dbraw/zinc/47/31/51/506473151.db2.gz NRGIBCIOAFIQPK-UHFFFAOYSA-N 0 0 369.421 2.885 50 5 FFBARN O=c1[nH]cnc2cc(NCCCOCc3ccccc3)c([N+](=O)[O-])cc21 ZINC000009338899 506691263 /nfs/dbraw/zinc/69/12/63/506691263.db2.gz WYSNDIUSURZXDW-UHFFFAOYSA-N 0 0 354.366 2.850 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1COC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000011342060 506773652 /nfs/dbraw/zinc/77/36/52/506773652.db2.gz PKNZNGDWYFLWJD-UHFFFAOYSA-N 0 0 362.294 2.877 50 5 FFBARN O=C(COc1cccnc1[N+](=O)[O-])Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000012635197 506887564 /nfs/dbraw/zinc/88/75/64/506887564.db2.gz AXHKEIXSSFWECM-UHFFFAOYSA-N 0 0 352.690 2.569 50 5 FFBARN CC1CCC(NC(=O)c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)CC1 ZINC000012814097 506906734 /nfs/dbraw/zinc/90/67/34/506906734.db2.gz UEHKJFGYPJWPTM-UHFFFAOYSA-N 0 0 360.458 2.655 50 5 FFBARN C[C@@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000015813480 507061282 /nfs/dbraw/zinc/06/12/82/507061282.db2.gz SQOVGRCYCJBMPW-SNVBAGLBSA-N 0 0 373.319 2.945 50 5 FFBARN O=[N+]([O-])c1cc(NS(=O)(=O)c2ccc3c(c2)CCO3)ccc1Cl ZINC000057512914 507283461 /nfs/dbraw/zinc/28/34/61/507283461.db2.gz OTKKORBNPUMBRC-UHFFFAOYSA-N 0 0 354.771 2.984 50 5 FFBARN CC(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000022279208 507286601 /nfs/dbraw/zinc/28/66/01/507286601.db2.gz YFOVGEJENJLWEP-UHFFFAOYSA-N 0 0 363.395 2.534 50 5 FFBARN COC(=O)c1cn(CC(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000023330867 507346713 /nfs/dbraw/zinc/34/67/13/507346713.db2.gz BJENYTSVPGFBMW-UHFFFAOYSA-N 0 0 353.334 2.975 50 5 FFBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CCN(C)C)c1ccccc1 ZINC000058009338 507363322 /nfs/dbraw/zinc/36/33/22/507363322.db2.gz LLTDYGFWKHMCDG-UHFFFAOYSA-N 0 0 363.439 2.660 50 5 FFBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCC[C@@H]1CCCO1 ZINC000023876417 507377477 /nfs/dbraw/zinc/37/74/77/507377477.db2.gz PMIOFTPIBVPRBE-HNNXBMFYSA-N 0 0 350.418 2.840 50 5 FFBARN CCN(CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc2c(c1)OCO2 ZINC000058372836 507410451 /nfs/dbraw/zinc/41/04/51/507410451.db2.gz ODUBKSKNRNCWDP-UHFFFAOYSA-N 0 0 357.366 2.784 50 5 FFBARN Cc1ccc([C@H](CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)N2CCOCC2)o1 ZINC000024573454 507420050 /nfs/dbraw/zinc/42/00/50/507420050.db2.gz OWDLFSXLNDIWEN-KRWDZBQOSA-N 0 0 373.409 2.608 50 5 FFBARN Cc1ccc([N+](=O)[O-])c(OC(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1 ZINC000024597370 507423288 /nfs/dbraw/zinc/42/32/88/507423288.db2.gz WXIDCVQTLOGFRZ-UHFFFAOYSA-N 0 0 354.318 2.776 50 5 FFBARN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1Cn1ncc(Cl)c(Cl)c1=O ZINC000024655122 507427851 /nfs/dbraw/zinc/42/78/51/507427851.db2.gz BTZRAULSENGBBY-MRVPVSSYSA-N 0 0 355.181 2.867 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000024816106 507441038 /nfs/dbraw/zinc/44/10/38/507441038.db2.gz MOTUNAAJWIRQAQ-AWEZNQCLSA-N 0 0 355.394 2.860 50 5 FFBARN COCCOc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1OC ZINC000024936692 507451309 /nfs/dbraw/zinc/45/13/09/507451309.db2.gz QISLYWJWKWJCRE-UHFFFAOYSA-N 0 0 360.366 2.810 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cc(Cl)c[nH]1 ZINC000025195015 507474685 /nfs/dbraw/zinc/47/46/85/507474685.db2.gz BUODJUIPDNTZDV-QMMMGPOBSA-N 0 0 367.745 2.769 50 5 FFBARN CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000048310742 507499246 /nfs/dbraw/zinc/49/92/46/507499246.db2.gz BOZVPGSQZLKCGB-LBPRGKRZSA-N 0 0 370.409 2.757 50 5 FFBARN Cc1ccc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)cc1[N+](=O)[O-] ZINC000026765416 507606794 /nfs/dbraw/zinc/60/67/94/507606794.db2.gz WIVLKDGMAIFOEG-UHFFFAOYSA-N 0 0 357.366 2.987 50 5 FFBARN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1 ZINC000028580753 507731200 /nfs/dbraw/zinc/73/12/00/507731200.db2.gz JUJNVIICWBSLTC-CYBMUJFWSA-N 0 0 357.341 2.721 50 5 FFBARN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1nnc2ccccn21 ZINC000029074947 507756812 /nfs/dbraw/zinc/75/68/12/507756812.db2.gz DIKDMTLFRUDALH-OAHLLOKOSA-N 0 0 351.366 2.544 50 5 FFBARN O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1ccc(Cn2ccnc2)cc1 ZINC000030220826 507803808 /nfs/dbraw/zinc/80/38/08/507803808.db2.gz LFFCPGFKQWLOSV-UHFFFAOYSA-N 0 0 350.378 2.699 50 5 FFBARN CCc1nc([C@H](C)NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)cs1 ZINC000078616335 507889748 /nfs/dbraw/zinc/88/97/48/507889748.db2.gz RTFNSFHTANTVFU-VIFPVBQESA-N 0 0 351.432 2.695 50 5 FFBARN CN1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000225443954 509373016 /nfs/dbraw/zinc/37/30/16/509373016.db2.gz PHAGQYLSRDGKRY-MRXNPFEDSA-N 0 0 357.410 2.681 50 5 FFBARN CC1=C(C(=O)O[C@@H]2CCC[C@H]2C)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 ZINC000239159688 520827057 /nfs/dbraw/zinc/82/70/57/520827057.db2.gz MPOGNXFBWLAWGZ-HQQWDMGQSA-N 0 0 359.382 2.955 50 5 FFBARN Cc1ccc(OCC(=O)N2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000019841666 525381635 /nfs/dbraw/zinc/38/16/35/525381635.db2.gz KBYYESXNFFESGI-UHFFFAOYSA-N 0 0 369.421 2.626 50 5 FFBARN CN(Cc1cc(F)cc2c1OCOC2)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000032915999 209853933 /nfs/dbraw/zinc/85/39/33/209853933.db2.gz PSOLORHGAFGYSM-UHFFFAOYSA-N 0 0 360.341 2.802 50 5 FFBARN Cc1ccc(C(=O)N2NC(C3CC3)=C[C@]2(O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000000651695 209374221 /nfs/dbraw/zinc/37/42/21/209374221.db2.gz YPSVMXUOBUOBHI-AWEZNQCLSA-N 0 0 357.288 2.766 50 5 FFBARN C[C@H](Oc1cc(F)ccc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)OCCO2 ZINC000003514717 206982560 /nfs/dbraw/zinc/98/25/60/206982560.db2.gz UBIXWXRIMDOWPB-JTQLQIEISA-N 0 0 362.313 2.911 50 5 FFBARN COC(=O)c1cc(C(=O)OCCc2ccc(OC)cc2)cc([N+](=O)[O-])c1 ZINC000003545446 206983584 /nfs/dbraw/zinc/98/35/84/206983584.db2.gz UROMMLFNAGTPPZ-UHFFFAOYSA-N 0 0 359.334 2.790 50 5 FFBARN O=C(OCCN1C(=O)c2ccccc2C1=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000003564614 206984799 /nfs/dbraw/zinc/98/47/99/206984799.db2.gz BWDTZQDHBJZBHY-UHFFFAOYSA-N 0 0 374.736 2.701 50 5 FFBARN CNC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 ZINC000004006631 206997820 /nfs/dbraw/zinc/99/78/20/206997820.db2.gz PRLQWEKGEUKOAE-UTNBAMHJSA-N 0 0 371.437 2.656 50 5 FFBARN COC(=O)c1ccc(NCCC(=O)N2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000004668833 207036843 /nfs/dbraw/zinc/03/68/43/207036843.db2.gz SWXSHTJWTGZFBR-UHFFFAOYSA-N 0 0 369.377 2.773 50 5 FFBARN CCCC1=Nc2ncnn2[C@H](c2ccccc2[N+](=O)[O-])C1C(=O)OCC ZINC000004866830 207057485 /nfs/dbraw/zinc/05/74/85/207057485.db2.gz UBRVJLIUDXQIDP-OAHLLOKOSA-N 0 0 357.370 2.819 50 5 FFBARN O=C(COC(=O)Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCCc2ccccc21 ZINC000004918230 207062565 /nfs/dbraw/zinc/06/25/65/207062565.db2.gz CQLWEFOOTNUQQG-QGZVFWFLSA-N 0 0 368.389 2.874 50 5 FFBARN CN1CCc2c(sc3c2C(=O)N[C@H](/C=C\c2cccc([N+](=O)[O-])c2)N3)C1 ZINC000004908494 207060824 /nfs/dbraw/zinc/06/08/24/207060824.db2.gz QOCHASNCRCUSRF-YVACAVLKSA-N 0 0 370.434 2.839 50 5 FFBARN COc1cccc(N2C[C@@H](C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2=O)c1 ZINC000005028129 207073555 /nfs/dbraw/zinc/07/35/55/207073555.db2.gz HBRDOGLWOVYKGX-LBPRGKRZSA-N 0 0 355.350 2.595 50 5 FFBARN O=C(Nc1ccc([N+](=O)[O-])cn1)c1ccccc1I ZINC000004998875 207070962 /nfs/dbraw/zinc/07/09/62/207070962.db2.gz DXBZIXAIOURTBB-UHFFFAOYSA-N 0 0 369.118 2.847 50 5 FFBARN CCN(CC)C(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1 ZINC000005092917 207080803 /nfs/dbraw/zinc/08/08/03/207080803.db2.gz USBFKELRAAYCKF-NTCAYCPXSA-N 0 0 357.366 2.827 50 5 FFBARN CC(C)N(C(=O)COC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000005658245 207110227 /nfs/dbraw/zinc/11/02/27/207110227.db2.gz RRVIKKBHXMVOJO-UHFFFAOYSA-N 0 0 357.366 2.775 50 5 FFBARN COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] ZINC000009141559 207258801 /nfs/dbraw/zinc/25/88/01/207258801.db2.gz UWFYOKNLIVQYOI-UHFFFAOYSA-N 0 0 362.338 2.882 50 5 FFBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCS(=O)(=O)Cc1ccccc1 ZINC000009698591 207282099 /nfs/dbraw/zinc/28/20/99/207282099.db2.gz MAPZEZJFUFHSED-UHFFFAOYSA-N 0 0 362.407 2.847 50 5 FFBARN COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000010494621 207301604 /nfs/dbraw/zinc/30/16/04/207301604.db2.gz NNNGMAPTHJGQRD-LLVKDONJSA-N 0 0 373.340 2.734 50 5 FFBARN COc1ccc(C2=N/C(=C\c3cccc([N+](=O)[O-])c3)C(=O)O2)cc1[N+](=O)[O-] ZINC000015217122 207549753 /nfs/dbraw/zinc/54/97/53/207549753.db2.gz WTZNIHBSFXFEFF-JYRVWZFOSA-N 0 0 369.289 2.856 50 5 FFBARN CC(=O)Oc1ccc(C2=NN(C(C)=O)[C@H](c3ccccc3[N+](=O)[O-])O2)cc1 ZINC000021092050 207762940 /nfs/dbraw/zinc/76/29/40/207762940.db2.gz IUHBUMASQFGTLE-SFHVURJKSA-N 0 0 369.333 2.759 50 5 FFBARN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)N1CCc2sccc2C1 ZINC000040074364 207953819 /nfs/dbraw/zinc/95/38/19/207953819.db2.gz URCKYKZYHABBOJ-LLVKDONJSA-N 0 0 360.439 2.536 50 5 FFBARN O=c1n(CCSc2nc3ccc([N+](=O)[O-])cc3s2)nc2ccccn21 ZINC000031840980 208019471 /nfs/dbraw/zinc/01/94/71/208019471.db2.gz PZHUUMTYSANBPK-UHFFFAOYSA-N 0 0 373.419 2.806 50 5 FFBARN CNc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000032727299 208037848 /nfs/dbraw/zinc/03/78/48/208037848.db2.gz YLAVMWCNCNXZEU-CYBMUJFWSA-N 0 0 357.366 2.549 50 5 FFBARN C[C@@H](OC(=O)c1ccccc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)OCO2 ZINC000035567872 208130784 /nfs/dbraw/zinc/13/07/84/208130784.db2.gz AJJUHIJGIUUFOI-SNVBAGLBSA-N 0 0 358.306 2.508 50 5 FFBARN Cc1cc(OCc2ccc(S(=O)(=O)N3CCCC3)o2)ccc1[N+](=O)[O-] ZINC000040116484 208229460 /nfs/dbraw/zinc/22/94/60/208229460.db2.gz VJWFIUUIULSBIK-UHFFFAOYSA-N 0 0 366.395 2.860 50 5 FFBARN O=C(N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000045819529 208338789 /nfs/dbraw/zinc/33/87/89/208338789.db2.gz NPTGIHFGCGXZJM-LESCRADOSA-N 0 0 368.368 2.698 50 5 FFBARN CC(C)CSCCN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000095446966 209050311 /nfs/dbraw/zinc/05/03/11/209050311.db2.gz WCACOVMKXZBUJG-MRXNPFEDSA-N 0 0 351.428 2.751 50 5 FFBARN O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H](CCc1ccccc1)C(F)(F)F ZINC000095465881 209054952 /nfs/dbraw/zinc/05/49/52/209054952.db2.gz LJBOVGMUGGHLJC-CQSZACIVSA-N 0 0 370.331 2.861 50 5 FFBARN O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H](CCc1ccccc1)C(F)(F)F ZINC000095465880 209056103 /nfs/dbraw/zinc/05/61/03/209056103.db2.gz LJBOVGMUGGHLJC-AWEZNQCLSA-N 0 0 370.331 2.861 50 5 FFBARN C[C@@H]1C[C@@H]1C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000005262008 132827965 /nfs/dbraw/zinc/82/79/65/132827965.db2.gz IFQUJLWLDGVOAR-PWSUYJOCSA-N 0 0 357.332 2.918 50 5 FFBARN O=[N+]([O-])c1c(NCc2ccc(N3CCOCC3)nc2)ccc2ncccc21 ZINC000042109822 136121147 /nfs/dbraw/zinc/12/11/47/136121147.db2.gz FWBKWEQCNCXMJO-UHFFFAOYSA-N 0 0 365.393 2.987 50 5 FFBARN Cc1cccc(NC(=O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1C ZINC000057364208 136128853 /nfs/dbraw/zinc/12/88/53/136128853.db2.gz LPKPVMFHUYPHBC-UHFFFAOYSA-N 0 0 368.437 2.972 50 5 FFBARN CC[C@@H]1C(=O)NCCN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000075103540 136149998 /nfs/dbraw/zinc/14/99/98/136149998.db2.gz RERIEPFXTJNISM-OAHLLOKOSA-N 0 0 353.378 2.541 50 5 FFBARN CCOC(=O)N1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000040098687 506466495 /nfs/dbraw/zinc/46/64/95/506466495.db2.gz SNDWQMFOOZJYQP-UHFFFAOYSA-N 0 0 356.766 2.554 50 5 FFBARN CC1=C(C(=O)OCc2ccco2)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 ZINC000000844463 506235561 /nfs/dbraw/zinc/23/55/61/506235561.db2.gz YYTHXCTWIGEWMU-HNNXBMFYSA-N 0 0 357.322 2.559 50 5 FFBARN CCOC(=O)C1=C(N)Oc2cc(O)ccc2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000000853679 506237068 /nfs/dbraw/zinc/23/70/68/506237068.db2.gz HJVVJXOJCQJLEC-HNNXBMFYSA-N 0 0 356.334 2.558 50 5 FFBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000001133201 506250732 /nfs/dbraw/zinc/25/07/32/506250732.db2.gz JWDWKQRLBZBAOB-NSHDSACASA-N 0 0 353.334 2.526 50 5 FFBARN O=C(Oc1ccc(C(=S)N2CCOCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000001191808 506253827 /nfs/dbraw/zinc/25/38/27/506253827.db2.gz LFJIDPQLWIKTFV-UHFFFAOYSA-N 0 0 372.402 2.822 50 5 FFBARN O=C(NCc1ccco1)c1cc(C(=O)NCc2ccco2)cc([N+](=O)[O-])c1 ZINC000001190334 506254483 /nfs/dbraw/zinc/25/44/83/506254483.db2.gz GUTQAMASTDCINY-UHFFFAOYSA-N 0 0 369.333 2.641 50 5 FFBARN CC1(c2ccc([N+](=O)[O-])c(CS(=O)(=O)c3ccccc3)c2)OCCO1 ZINC000001388719 506260142 /nfs/dbraw/zinc/26/01/42/506260142.db2.gz FHKZHCVRXTZXAM-UHFFFAOYSA-N 0 0 363.391 2.788 50 5 FFBARN Cc1nc([N+](=O)[O-])c(C(=O)OCc2cccc(Br)c2)n1C ZINC000001424496 506261915 /nfs/dbraw/zinc/26/19/15/506261915.db2.gz GJGUGVUMWHKTJE-UHFFFAOYSA-N 0 0 354.160 2.756 50 5 FFBARN CCCOC(=O)Cn1cnc2scc(-c3cccc([N+](=O)[O-])c3)c2c1=O ZINC000001778441 506269116 /nfs/dbraw/zinc/26/91/16/506269116.db2.gz JNAGNTMRKFZQLJ-UHFFFAOYSA-N 0 0 373.390 2.986 50 5 FFBARN CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000003255991 506317397 /nfs/dbraw/zinc/31/73/97/506317397.db2.gz VRVOZLYRINJWML-GFCCVEGCSA-N 0 0 356.334 2.981 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)C1=NN(c2ccccc2)C(=O)CC1 ZINC000033018857 506326244 /nfs/dbraw/zinc/32/62/44/506326244.db2.gz XKUIIIZHCRTATO-UHFFFAOYSA-N 0 0 368.349 2.725 50 5 FFBARN COC(=O)c1ccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000004090482 506358424 /nfs/dbraw/zinc/35/84/24/506358424.db2.gz FAMHCFIROGKTAU-UHFFFAOYSA-N 0 0 373.390 2.817 50 5 FFBARN CC(C)OC[C@H]1C[C@H](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C(=O)O1 ZINC000004132663 506361286 /nfs/dbraw/zinc/36/12/86/506361286.db2.gz YBAGMGBNHBRAAY-SWLSCSKDSA-N 0 0 350.371 2.670 50 5 FFBARN CC(C)NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000004299935 506369424 /nfs/dbraw/zinc/36/94/24/506369424.db2.gz BDWBGWKJKBONAC-UHFFFAOYSA-N 0 0 360.336 2.854 50 5 FFBARN COc1ccccc1N1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000004820598 506396898 /nfs/dbraw/zinc/39/68/98/506396898.db2.gz ZZLBBWJKTDGVIU-UHFFFAOYSA-N 0 0 356.382 2.958 50 5 FFBARN O=C(CSc1nnc(-c2cccnc2)o1)Nc1ccccc1[N+](=O)[O-] ZINC000004889825 506402874 /nfs/dbraw/zinc/40/28/74/506402874.db2.gz DOCORBVXUBDUJW-UHFFFAOYSA-N 0 0 357.351 2.771 50 5 FFBARN Cc1cc(C)n(C[C@@H](C)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 ZINC000040146873 506474078 /nfs/dbraw/zinc/47/40/78/506474078.db2.gz YSLLEHFVNKTRRC-CQSZACIVSA-N 0 0 371.441 2.827 50 5 FFBARN O=C(COc1ccc(N2CCCC2=O)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000007062740 506530234 /nfs/dbraw/zinc/53/02/34/506530234.db2.gz WLSUWXKCWKXNGZ-UHFFFAOYSA-N 0 0 355.350 2.739 50 5 FFBARN C[C@H](Oc1cccnc1[N+](=O)[O-])C(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000007202941 506541546 /nfs/dbraw/zinc/54/15/46/506541546.db2.gz OEAQSDGSPUQQIZ-NSHDSACASA-N 0 0 370.365 2.521 50 5 FFBARN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(C3CCCCCC3)CC2)cc1 ZINC000054991936 506656544 /nfs/dbraw/zinc/65/65/44/506656544.db2.gz VNXZLPUNMNWAEF-UHFFFAOYSA-N 0 0 367.471 2.624 50 5 FFBARN CSc1ncccc1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000011464707 506776235 /nfs/dbraw/zinc/77/62/35/506776235.db2.gz TWUILRZONFJRLG-JTQLQIEISA-N 0 0 361.379 2.896 50 5 FFBARN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000012772286 506899781 /nfs/dbraw/zinc/89/97/81/506899781.db2.gz XFFDWWXKPBRSAP-VIFPVBQESA-N 0 0 358.379 2.884 50 5 FFBARN CN1CCc2c(sc3c2C(=O)N[C@H](/C=C\c2ccccc2[N+](=O)[O-])N3)C1 ZINC000013583249 506945321 /nfs/dbraw/zinc/94/53/21/506945321.db2.gz ITPYIYQYRMPSCP-XHPSBEMXSA-N 0 0 370.434 2.839 50 5 FFBARN CN1CCc2c(sc3c2C(=O)N[C@@H](/C=C\c2ccccc2[N+](=O)[O-])N3)C1 ZINC000013583252 506945564 /nfs/dbraw/zinc/94/55/64/506945564.db2.gz ITPYIYQYRMPSCP-IDTUSYRASA-N 0 0 370.434 2.839 50 5 FFBARN Cc1cc(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1[N+](=O)[O-] ZINC000015197170 507024982 /nfs/dbraw/zinc/02/49/82/507024982.db2.gz GQAHTEMBVLNUTG-GFCCVEGCSA-N 0 0 362.407 2.798 50 5 FFBARN Cc1ccc(Nc2nc(N)c([N+](=O)[O-])c(NCc3ccco3)n2)cc1C ZINC000017208185 507118921 /nfs/dbraw/zinc/11/89/21/507118921.db2.gz POKICEMLTVVMKV-UHFFFAOYSA-N 0 0 354.370 2.954 50 5 aggregator FFBARN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCOc2ccccc2C1 ZINC000068217883 507151797 /nfs/dbraw/zinc/15/17/97/507151797.db2.gz CMWYVOKYMAVJLH-UHFFFAOYSA-N 0 0 351.362 2.971 50 5 FFBARN Cc1c(C(=O)NCc2ccc(CN3CCOCC3)cc2)cccc1[N+](=O)[O-] ZINC000024193295 507397242 /nfs/dbraw/zinc/39/72/42/507397242.db2.gz SGVFHTPTEDYHRJ-UHFFFAOYSA-N 0 0 369.421 2.665 50 5 FFBARN C[C@H](OC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)Cc1cccc(F)c1 ZINC000024658054 507427169 /nfs/dbraw/zinc/42/71/69/507427169.db2.gz JQCKDPDGWQGDII-LBPRGKRZSA-N 0 0 360.341 2.938 50 5 FFBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000024933041 507451777 /nfs/dbraw/zinc/45/17/77/507451777.db2.gz ITGZHSBJZKRJJW-MRXNPFEDSA-N 0 0 355.350 2.965 50 5 FFBARN Cc1csc(-n2c(C)cc(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)c2C)n1 ZINC000025254707 507480751 /nfs/dbraw/zinc/48/07/51/507480751.db2.gz GVAZVNKOQMHHGH-UHFFFAOYSA-N 0 0 372.406 2.812 50 5 FFBARN CCc1ccc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1 ZINC000025466984 507503962 /nfs/dbraw/zinc/50/39/62/507503962.db2.gz YTAJENKFSLZBTA-UHFFFAOYSA-N 0 0 373.434 2.817 50 5 FFBARN CN(CC(=O)Nc1cccc(Cl)c1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000026037437 507553766 /nfs/dbraw/zinc/55/37/66/507553766.db2.gz RPCWWIIPAMWQHB-UHFFFAOYSA-N 0 0 361.785 2.888 50 5 FFBARN Cc1ccc(/C=c2/sc3nc(-c4cccc([N+](=O)[O-])c4)nn3c2=O)cc1 ZINC000027024068 507626087 /nfs/dbraw/zinc/62/60/87/507626087.db2.gz ZQWZUWNORVRFCL-OQLLNIDSSA-N 0 0 364.386 2.582 50 5 FFBARN Cc1cccc(C)c1NC(=O)CN(C)c1nc2ccccn2c1[N+](=O)[O-] ZINC000070790229 507638007 /nfs/dbraw/zinc/63/80/07/507638007.db2.gz XXAAITPISWCCNR-UHFFFAOYSA-N 0 0 353.382 2.934 50 5 FFBARN CCC[C@@H]1CCCN(c2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])CC1 ZINC000071845377 507720572 /nfs/dbraw/zinc/72/05/72/507720572.db2.gz NURBGPIJNJQBTG-CYBMUJFWSA-N 0 0 355.460 2.910 50 5 FFBARN O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCCn2cncc2C1 ZINC000072171653 507769091 /nfs/dbraw/zinc/76/90/91/507769091.db2.gz JKWPPYINPAGGJE-UHFFFAOYSA-N 0 0 358.401 2.924 50 5 FFBARN C[C@H](Cc1cccc(Cl)c1)Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000052280562 507804927 /nfs/dbraw/zinc/80/49/27/507804927.db2.gz GSDYBWIHURLKRZ-SNVBAGLBSA-N 0 0 369.830 2.939 50 5 FFBARN O=C(N1CCc2cc([N+](=O)[O-])c(Br)cc2C1)C(F)(F)F ZINC000079387324 507957166 /nfs/dbraw/zinc/95/71/66/507957166.db2.gz ZDVBRUOONPLBFS-UHFFFAOYSA-N 0 0 353.094 2.804 50 5 FFBARN COC(=O)C[C@H](Cc1ccccc1)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000075092415 508081925 /nfs/dbraw/zinc/08/19/25/508081925.db2.gz UNZZZVPNZBSRDV-HNNXBMFYSA-N 0 0 357.366 2.891 50 5 FFBARN C[C@H](OC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000248133023 509243151 /nfs/dbraw/zinc/24/31/51/509243151.db2.gz ZINVDDQTRNQZSD-OZTPJHRESA-N 0 0 363.414 2.663 50 5 FFBARN CCOC(=O)c1c([N+](=O)[O-])c(C(C)(C)C)nn1CCO[C@@H]1CCCCO1 ZINC000601014550 520596061 /nfs/dbraw/zinc/59/60/61/520596061.db2.gz VBEAKDFRCBWWCF-GFCCVEGCSA-N 0 0 369.418 2.809 50 5 FFBARN COc1ccccc1N1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000001134991 537062814 /nfs/dbraw/zinc/06/28/14/537062814.db2.gz IWWHFWWURWYFMW-ZHACJKMWSA-N 0 0 367.405 2.965 50 5 FFBARN Cc1ccc(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000049703899 570965525 /nfs/dbraw/zinc/96/55/25/570965525.db2.gz KSCDCPSBDHWTEO-QGZVFWFLSA-N 0 0 374.418 2.939 50 5 FFBARN Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1-c1cccc([N+](=O)[O-])c1 ZINC000001156818 219382238 /nfs/dbraw/zinc/38/22/38/219382238.db2.gz FQYZPOAJBQYAJO-UHFFFAOYSA-N 0 0 372.406 2.712 50 5 FFBARN Cc1c(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000058167284 209699094 /nfs/dbraw/zinc/69/90/94/209699094.db2.gz KFOCEDRRSBAGPY-UHFFFAOYSA-N 0 0 363.414 2.986 50 5 FFBARN Cc1ccc(C(=O)CSc2nnnn2-c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000005219965 209439506 /nfs/dbraw/zinc/43/95/06/209439506.db2.gz UPPGUUPBURLQNF-UHFFFAOYSA-N 0 0 373.369 2.993 50 5 FFBARN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000004497507 209422020 /nfs/dbraw/zinc/42/20/20/209422020.db2.gz BCTDPSPOFHSKRX-CQSZACIVSA-N 0 0 373.796 2.712 50 5 FFBARN COc1cc([N+](=O)[O-])cc2cc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c(=O)oc21 ZINC000001061195 209385819 /nfs/dbraw/zinc/38/58/19/209385819.db2.gz ZGSQUCDIWPUGLR-QWRGUYRKSA-N 0 0 360.366 2.828 50 5 FFBARN NC(=O)c1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2c1CCC2 ZINC000000939393 209383432 /nfs/dbraw/zinc/38/34/32/209383432.db2.gz VXNKFEGIPPWEJY-BQYQJAHWSA-N 0 0 357.391 2.896 50 5 FFBARN CC1=C(C(=O)O[C@@H]2CCC[C@@H]2C)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 ZINC000101113094 209379859 /nfs/dbraw/zinc/37/98/59/209379859.db2.gz MPOGNXFBWLAWGZ-JJMVLAAESA-N 0 0 359.382 2.955 50 5 FFBARN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000012921286 220042609 /nfs/dbraw/zinc/04/26/09/220042609.db2.gz SJEHYWSJWFOGOQ-AWEZNQCLSA-N 0 0 365.393 2.927 50 5 FFBARN O=C(Cc1ccc(F)cc1)NCCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000096290717 209150224 /nfs/dbraw/zinc/15/02/24/209150224.db2.gz FNGVBSPUJCJSOF-UHFFFAOYSA-N 0 0 370.340 2.685 50 5 FFBARN COc1ccc(CNC(=O)Cn2ccc3c2cccc3[N+](=O)[O-])cc1OC ZINC000096118667 209116394 /nfs/dbraw/zinc/11/63/94/209116394.db2.gz SGVTWTRTPAZGBQ-UHFFFAOYSA-N 0 0 369.377 2.883 50 5 FFBARN COc1ccc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)c(OC)c1 ZINC000000829683 206837871 /nfs/dbraw/zinc/83/78/71/206837871.db2.gz PTYSFCDMMAUFBY-DHDCSXOGSA-N 0 0 354.318 2.957 50 5 FFBARN COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1 ZINC000000861522 206840028 /nfs/dbraw/zinc/84/00/28/206840028.db2.gz FUXVZXSCPAIJCJ-UHFFFAOYSA-N 0 0 360.366 2.518 50 5 FFBARN Cc1ccc2c(Cn3cnc4cc([N+](=O)[O-])ccc4c3=O)cc(=O)oc2c1 ZINC000003442791 206978743 /nfs/dbraw/zinc/97/87/43/206978743.db2.gz DTTUCVNFWYBKFV-UHFFFAOYSA-N 0 0 363.329 2.768 50 5 FFBARN Cc1cc(Cl)ccc1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000003493656 206981169 /nfs/dbraw/zinc/98/11/69/206981169.db2.gz VRDJJPRYQZSDPD-UHFFFAOYSA-N 0 0 373.752 2.791 50 5 FFBARN O=C(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc2ccccc2oc1=O ZINC000004458846 207020173 /nfs/dbraw/zinc/02/01/73/207020173.db2.gz JOCAUGSIAXBFTO-UHFFFAOYSA-N 0 0 355.262 2.862 50 5 FFBARN COc1ccc([C@@H](C[N+](=O)[O-])c2c(=O)[nH][nH]c2-c2ccccc2O)cc1 ZINC000004641258 207033804 /nfs/dbraw/zinc/03/38/04/207033804.db2.gz BRIZBOSOUSYVRZ-CQSZACIVSA-N 0 0 355.350 2.905 50 5 FFBARN COC(=O)c1cc(C(=O)Nc2nc3c(s2)CCCC3)cc([N+](=O)[O-])c1 ZINC000004696159 207039493 /nfs/dbraw/zinc/03/94/93/207039493.db2.gz GWPCSPWBLUHUIC-UHFFFAOYSA-N 0 0 361.379 2.969 50 5 FFBARN Cc1cc2c(c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n1)C(=O)OC2 ZINC000004593205 207030659 /nfs/dbraw/zinc/03/06/59/207030659.db2.gz IBTCYLNIAKGWBX-UHFFFAOYSA-N 0 0 359.363 2.699 50 5 FFBARN Cc1ccc(CNc2cc(NCCCO)c([N+](=O)[O-])c3nonc32)cc1 ZINC000004716627 207042300 /nfs/dbraw/zinc/04/23/00/207042300.db2.gz YRIPGAZFSHFPKT-UHFFFAOYSA-N 0 0 357.370 2.846 50 5 FFBARN Nc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2F)cc1[N+](=O)[O-] ZINC000004866697 207057268 /nfs/dbraw/zinc/05/72/68/207057268.db2.gz ZTBIFXCEKNLXMF-UHFFFAOYSA-N 0 0 367.720 2.765 50 5 FFBARN Cc1cc2nc3s/c(=C/c4ccc([N+](=O)[O-])cc4)c(=O)n3c2cc1C ZINC000004795067 207050083 /nfs/dbraw/zinc/05/00/83/207050083.db2.gz OKWKRNPKOVCYJC-CXUHLZMHSA-N 0 0 351.387 2.982 50 5 FFBARN Cc1cc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)c([N+](=O)[O-])cc1C ZINC000004932210 207064056 /nfs/dbraw/zinc/06/40/56/207064056.db2.gz JFXRSPRPEKTACK-UHFFFAOYSA-N 0 0 371.180 2.714 50 5 FFBARN CCSCCOC(=O)C1=C(C)NC(=O)C[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000004913533 207061430 /nfs/dbraw/zinc/06/14/30/207061430.db2.gz MAPVNLSCVDWVMY-CYBMUJFWSA-N 0 0 364.423 2.769 50 5 FFBARN Cc1c(O[C@H](C)C(=O)NCCCO)ccc2c3ccccc3c(=O)oc12 ZINC000005243669 207088504 /nfs/dbraw/zinc/08/85/04/207088504.db2.gz HRBXOTGHGLAGHT-CYBMUJFWSA-N 0 0 355.390 2.521 50 5 FFBARN C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N)C(=O)Nc1cc(F)ccc1F ZINC000007206851 207190727 /nfs/dbraw/zinc/19/07/27/207190727.db2.gz BSVXXQVFAOGBGR-QMMMGPOBSA-N 0 0 365.292 2.639 50 5 FFBARN Cc1cc(NC(=O)Cn2c(=O)cnc3ccccc32)c([N+](=O)[O-])cc1C ZINC000007719415 207204064 /nfs/dbraw/zinc/20/40/64/207204064.db2.gz OPIZOWNBZIQPFS-UHFFFAOYSA-N 0 0 352.350 2.560 50 5 FFBARN C[C@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000008033817 207217843 /nfs/dbraw/zinc/21/78/43/207217843.db2.gz IYGQXDAUGHOYIM-NSHDSACASA-N 0 0 361.785 2.855 50 5 FFBARN COc1ccc(CN2CCOc3ccc([N+](=O)[O-])cc3C2=O)c(OC)c1 ZINC000035588015 207221150 /nfs/dbraw/zinc/22/11/50/207221150.db2.gz SNYRVWIKQHUWLW-UHFFFAOYSA-N 0 0 358.350 2.647 50 5 FFBARN Cn1cnnc1-c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000008722290 207245302 /nfs/dbraw/zinc/24/53/02/207245302.db2.gz UEXQABHOWGDRNQ-UHFFFAOYSA-N 0 0 368.309 2.551 50 5 FFBARN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccsc2)CC1 ZINC000008750358 207246747 /nfs/dbraw/zinc/24/67/47/207246747.db2.gz QERWAZKLACDXHA-AWEZNQCLSA-N 0 0 374.466 2.801 50 5 FFBARN COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000008936804 207252510 /nfs/dbraw/zinc/25/25/10/207252510.db2.gz VXEUZWVDNQJTTK-KRWDZBQOSA-N 0 0 354.362 2.643 50 5 FFBARN CN(Cc1c(F)cccc1Cl)C(=O)COc1cccnc1[N+](=O)[O-] ZINC000009617009 207280510 /nfs/dbraw/zinc/28/05/10/207280510.db2.gz YTTSEYNODPHNMB-UHFFFAOYSA-N 0 0 353.737 2.820 50 5 FFBARN O=C(COc1cc(F)ccc1[N+](=O)[O-])Nc1ccccc1N1CCCC1=O ZINC000011453537 207314414 /nfs/dbraw/zinc/31/44/14/207314414.db2.gz UIESQWDKPYXZHA-UHFFFAOYSA-N 0 0 373.340 2.878 50 5 FFBARN C[C@@H]1C[C@H](C)CN(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000012660269 207406717 /nfs/dbraw/zinc/40/67/17/207406717.db2.gz PQMSJLGHMCHRNX-PHIMTYICSA-N 0 0 354.790 2.910 50 5 FFBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCNC(=O)c1ccsc1 ZINC000015179665 207547754 /nfs/dbraw/zinc/54/77/54/207547754.db2.gz ZYNOZGVLNBXGCU-LBPRGKRZSA-N 0 0 361.423 2.996 50 5 FFBARN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(C(F)(F)F)cc1 ZINC000015565075 207555676 /nfs/dbraw/zinc/55/56/76/207555676.db2.gz ZEDCGBXYJMSPCJ-UHFFFAOYSA-N 0 0 367.283 2.982 50 5 FFBARN COc1ccc(C2=NN(C(C)=O)[C@H](c3ccccc3[N+](=O)[O-])O2)cc1OC ZINC000021090621 207762630 /nfs/dbraw/zinc/76/26/30/207762630.db2.gz IRNITKCUEJOFPN-SFHVURJKSA-N 0 0 371.349 2.851 50 5 FFBARN CC(C)OC(=O)C[C@H](NC(=O)C1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000022188923 207797872 /nfs/dbraw/zinc/79/78/72/207797872.db2.gz HKNAQCKBRUDUQB-HNNXBMFYSA-N 0 0 364.398 2.520 50 5 FFBARN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CC=C(c2ccccc2)CC1 ZINC000030996318 208007374 /nfs/dbraw/zinc/00/73/74/208007374.db2.gz HICKOAKTLGMPFP-UHFFFAOYSA-N 0 0 365.389 2.641 50 5 FFBARN C[C@H](Nc1nc2ccccn2c1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000032806462 208044822 /nfs/dbraw/zinc/04/48/22/208044822.db2.gz SEMGEDWIIVPNAR-NSHDSACASA-N 0 0 360.395 2.819 50 5 FFBARN O=C(NCc1cccnc1OCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000033107899 208073415 /nfs/dbraw/zinc/07/34/15/208073415.db2.gz CRMZSJOAXJKFFK-UHFFFAOYSA-N 0 0 355.272 2.861 50 5 FFBARN COCCCn1ccc2nc3ccn(C4CCCC4)c(=O)c3cc2c1=O ZINC000036359231 208158590 /nfs/dbraw/zinc/15/85/90/208158590.db2.gz SUMVCADRFVUAIP-UHFFFAOYSA-N 0 0 353.422 2.863 50 5 FFBARN Cc1cccc(C(=O)N[C@H](C(=O)N2CCCC2)c2ccccc2)c1[N+](=O)[O-] ZINC000040146354 208235973 /nfs/dbraw/zinc/23/59/73/208235973.db2.gz SNSQOQYHSKABRI-KRWDZBQOSA-N 0 0 367.405 2.997 50 5 FFBARN CN(C)n1ccc2nc3ccn(-c4cccc(Cl)c4)c(=O)c3cc2c1=O ZINC000040398690 208250206 /nfs/dbraw/zinc/25/02/06/208250206.db2.gz AMUBNXPIVBJQFM-UHFFFAOYSA-N 0 0 366.808 2.552 50 5 FFBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000005446042 132258018 /nfs/dbraw/zinc/25/80/18/132258018.db2.gz PGSSVCHSKQSQDS-UHFFFAOYSA-N 0 0 372.337 2.592 50 5 FFBARN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(N(C)c3ccccc3)CC2)n1 ZINC000225541694 132285454 /nfs/dbraw/zinc/28/54/54/132285454.db2.gz UFKPBFPEMXSFER-UHFFFAOYSA-N 0 0 370.409 2.882 50 5 FFBARN CCc1ccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000003904049 132386017 /nfs/dbraw/zinc/38/60/17/132386017.db2.gz NKDYRTFCSXWRBW-UHFFFAOYSA-N 0 0 369.421 2.885 50 5 FFBARN C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2ccccc2)CC1 ZINC000004750298 132824566 /nfs/dbraw/zinc/82/45/66/132824566.db2.gz XXJSKDGDYGAJDD-HNNXBMFYSA-N 0 0 355.394 2.711 50 5 FFBARN COc1cc(C)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2N)cc1C ZINC000095939651 209086737 /nfs/dbraw/zinc/08/67/37/209086737.db2.gz OLTVXALWUGLUDH-UHFFFAOYSA-N 0 0 351.384 2.603 50 5 FFBARN C[C@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000007304066 263350652 /nfs/dbraw/zinc/35/06/52/263350652.db2.gz SPCQQWJKQKZAPB-LBPRGKRZSA-N 0 0 359.357 2.731 50 5 FFBARN COc1ccc(C(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000019773495 263376796 /nfs/dbraw/zinc/37/67/96/263376796.db2.gz HLHDRDQYMXFAPM-UHFFFAOYSA-N 0 0 355.394 2.561 50 5 FFBARN Cc1c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c(=O)n(-c2ccccc2)n1C ZINC000000705129 506227968 /nfs/dbraw/zinc/22/79/68/506227968.db2.gz BKGUEUDIRYDVLA-UHFFFAOYSA-N 0 0 366.377 2.953 50 5 FFBARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 ZINC000000820537 506235348 /nfs/dbraw/zinc/23/53/48/506235348.db2.gz KOFRKMPTJWTECN-KRWDZBQOSA-N 0 0 367.361 2.966 50 5 FFBARN COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccc([N+](=O)[O-])cc1 ZINC000000861523 506236602 /nfs/dbraw/zinc/23/66/02/506236602.db2.gz KTROMQYPJIPJJD-UHFFFAOYSA-N 0 0 360.366 2.518 50 5 FFBARN COc1ccccc1C1=NO[C@@H](COC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000001035291 506244393 /nfs/dbraw/zinc/24/43/93/506244393.db2.gz WAHWAVDUMOEKLY-CQSZACIVSA-N 0 0 356.334 2.953 50 5 FFBARN COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000001195002 506254215 /nfs/dbraw/zinc/25/42/15/506254215.db2.gz PKSSXEOECMCCCI-HNNXBMFYSA-N 0 0 357.322 2.656 50 5 FFBARN CCOC(=O)C1=C(C(F)(F)F)NC(=O)C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000001392230 506259640 /nfs/dbraw/zinc/25/96/40/506259640.db2.gz GVKIDXQDEXAFPF-JTQLQIEISA-N 0 0 358.272 2.578 50 5 FFBARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000002851101 506298042 /nfs/dbraw/zinc/29/80/42/506298042.db2.gz CXGYNINCJRXPQM-UHFFFAOYSA-N 0 0 373.321 2.812 50 5 FFBARN COc1ccccc1NC(=O)COC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000003229679 506313394 /nfs/dbraw/zinc/31/33/94/506313394.db2.gz DCPYRMVSWPXQQG-ZHACJKMWSA-N 0 0 356.334 2.799 50 5 FFBARN C[C@@H](Oc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000003441572 506330645 /nfs/dbraw/zinc/33/06/45/506330645.db2.gz DCLCTUKJTBRDJZ-SECBINFHSA-N 0 0 363.757 2.753 50 5 FFBARN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(Br)cc1F ZINC000065712691 506348252 /nfs/dbraw/zinc/34/82/52/506348252.db2.gz KCPOLKIQXFKQEO-UHFFFAOYSA-N 0 0 357.139 2.640 50 5 FFBARN Cc1ccc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c([N+](=O)[O-])c1 ZINC000003903016 506352311 /nfs/dbraw/zinc/35/23/11/506352311.db2.gz VJQCJIJCVYKEEQ-LLVKDONJSA-N 0 0 353.334 2.526 50 5 FFBARN Cc1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H](C)C2=O)cc1F ZINC000037520829 506427131 /nfs/dbraw/zinc/42/71/31/506427131.db2.gz GGPCYFLHQXMQBX-CYBMUJFWSA-N 0 0 371.368 2.920 50 5 FFBARN C[C@@H]1C(=O)N(c2ccc([N+](=O)[O-])cc2)CCN1C(=O)CCc1ccccc1 ZINC000037520513 506427655 /nfs/dbraw/zinc/42/76/55/506427655.db2.gz GFGSOQYZVSMQIV-OAHLLOKOSA-N 0 0 367.405 2.791 50 5 FFBARN C[C@@H]1C[C@H]1C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000005262010 506432698 /nfs/dbraw/zinc/43/26/98/506432698.db2.gz IFQUJLWLDGVOAR-ZYHUDNBSSA-N 0 0 357.332 2.918 50 5 FFBARN Cc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000039570110 506453730 /nfs/dbraw/zinc/45/37/30/506453730.db2.gz NWGVNCFBYBQROE-IBGZPJMESA-N 0 0 367.361 2.553 50 5 FFBARN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc(Br)cc1F ZINC000007344370 506554262 /nfs/dbraw/zinc/55/42/62/506554262.db2.gz OEHPYGJXNUZFPS-UHFFFAOYSA-N 0 0 357.139 2.640 50 5 FFBARN C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CCOc2ccccc2F)C1=O ZINC000008646116 506660545 /nfs/dbraw/zinc/66/05/45/506660545.db2.gz ZKVMERISSMCANS-GOSISDBHSA-N 0 0 373.340 2.580 50 5 FFBARN O=C(c1ccc2c(c1)OCCO2)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000012926843 506915614 /nfs/dbraw/zinc/91/56/14/506915614.db2.gz ZDJFSBTVCQAULG-UHFFFAOYSA-N 0 0 369.377 2.860 50 5 FFBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1cccc(C(=O)NC2CC2)c1 ZINC000012940119 506917933 /nfs/dbraw/zinc/91/79/33/506917933.db2.gz TZEBLZBHHPDLCL-UHFFFAOYSA-N 0 0 355.350 2.505 50 5 FFBARN O=C(COc1cccc(N2CCCC2=O)c1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000015633107 507052945 /nfs/dbraw/zinc/05/29/45/507052945.db2.gz KNUUIYHFWHIXCH-UHFFFAOYSA-N 0 0 373.340 2.878 50 5 FFBARN Cc1cccn2c(=O)c(NC(=O)c3cccc([N+](=O)[O-])c3C)c(C)nc12 ZINC000015865279 507064432 /nfs/dbraw/zinc/06/44/32/507064432.db2.gz ROTOZCUMCRWVOL-UHFFFAOYSA-N 0 0 352.350 2.780 50 5 FFBARN COc1ccccc1C(=O)N1CCCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000057142352 507183887 /nfs/dbraw/zinc/18/38/87/507183887.db2.gz NMDZBEIAVSHTII-UHFFFAOYSA-N 0 0 355.394 2.956 50 5 FFBARN CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc2ccccn21 ZINC000020739274 507233717 /nfs/dbraw/zinc/23/37/17/507233717.db2.gz PRCMQSYSBQWUIX-AWEZNQCLSA-N 0 0 371.422 2.862 50 5 FFBARN COc1ccc(OC)c2c1CN(C(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]2O ZINC000024238138 507399960 /nfs/dbraw/zinc/39/99/60/507399960.db2.gz QXBQDYDRONTSOG-CQSZACIVSA-N 0 0 373.365 2.693 50 5 FFBARN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@@H]1COc2ccccc2O1 ZINC000058357584 507409423 /nfs/dbraw/zinc/40/94/23/507409423.db2.gz WUWAPXAHYCZGNV-OAHLLOKOSA-N 0 0 367.361 2.506 50 5 FFBARN O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@H]1C(=O)Nc1ccccc1 ZINC000024984851 507454040 /nfs/dbraw/zinc/45/40/40/507454040.db2.gz RWYLASQGIZNBJY-INIZCTEOSA-N 0 0 369.377 2.603 50 5 FFBARN COc1cc(COC(=O)c2cc(C)no2)c([N+](=O)[O-])cc1OC(F)F ZINC000025052242 507461261 /nfs/dbraw/zinc/46/12/61/507461261.db2.gz VXOBRTDGOWIOAT-UHFFFAOYSA-N 0 0 358.253 2.858 50 5 FFBARN COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)c(C(=O)N(C)C)cc1OC ZINC000025213165 507475860 /nfs/dbraw/zinc/47/58/60/507475860.db2.gz VUOIUJKHGWPPJQ-UHFFFAOYSA-N 0 0 373.365 2.566 50 5 FFBARN O=C(NCCc1cccs1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000026523681 507593585 /nfs/dbraw/zinc/59/35/85/507593585.db2.gz LBFXVLGKXUDJAJ-UHFFFAOYSA-N 0 0 360.439 2.731 50 5 FFBARN COc1ccc(-c2nnc(Cn3c4cc([N+](=O)[O-])ccc4oc3=O)o2)cc1 ZINC000028006047 507700282 /nfs/dbraw/zinc/70/02/82/507700282.db2.gz ZAPNRRZCKBGOIM-UHFFFAOYSA-N 0 0 368.305 2.610 50 5 FFBARN COc1ccc(CN2C[C@@H](C(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)cc1 ZINC000028403911 507723157 /nfs/dbraw/zinc/72/31/57/507723157.db2.gz BRVIWZKTNKXXJB-AWEZNQCLSA-N 0 0 369.377 2.591 50 5 FFBARN COC(=O)C[C@@H](Cc1ccccc1)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000075092414 508081613 /nfs/dbraw/zinc/08/16/13/508081613.db2.gz UNZZZVPNZBSRDV-OAHLLOKOSA-N 0 0 357.366 2.891 50 5 FFBARN O=C1[C@H]2ON=C(c3ccccc3Cl)C2=C(O)N1c1cccc([N+](=O)[O-])c1 ZINC000103539530 508317726 /nfs/dbraw/zinc/31/77/26/508317726.db2.gz VFNIMOBWDOSCKR-ZFWWWQNUSA-N 0 0 371.736 2.541 50 5 FFBARN O=C(N=c1scc(-c2ccc([N+](=O)[O-])cc2)n1CCO)c1ccccc1 ZINC000252675799 509857968 /nfs/dbraw/zinc/85/79/68/509857968.db2.gz VDHDOWXAOHBAGM-UHFFFAOYSA-N 0 0 369.402 2.858 50 5 FFBARN O=C(C[C@@H]1COCCN1CCOc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000084374569 527133767 /nfs/dbraw/zinc/13/37/67/527133767.db2.gz HHTGERKQWPLNIO-OAHLLOKOSA-N 0 0 360.366 2.540 50 5 FFBARN C[C@H](OC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000103938290 570853595 /nfs/dbraw/zinc/85/35/95/570853595.db2.gz ZINVDDQTRNQZSD-JUFZMCDQSA-N 0 0 363.414 2.663 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CCNC(=O)/C=C\c1ccccc1 ZINC000097987631 970006347 /nfs/dbraw/zinc/00/63/47/970006347.db2.gz WDDHEWDVHJGXEY-YFHOEESVSA-N 0 0 369.377 2.762 50 5 FFBARN CCOC(=O)c1ccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000000674554 210261235 /nfs/dbraw/zinc/26/12/35/210261235.db2.gz DGBDBYWIGJYRIB-UHFFFAOYSA-N 0 0 373.390 2.898 50 5 FFBARN CC(=O)N1N=C(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)O[C@@H]1c1ccccc1F ZINC000064819839 212044939 /nfs/dbraw/zinc/04/49/39/212044939.db2.gz GCIYVKVHXZJLBL-MRXNPFEDSA-N 0 0 374.284 2.881 50 5 FFBARN CCn1c(CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)nc2ccccc21 ZINC000057822839 211979464 /nfs/dbraw/zinc/97/94/64/211979464.db2.gz DUWITNMXSNSVAT-UHFFFAOYSA-N 0 0 354.366 2.903 50 5 FFBARN COc1cc(C=C2NC(=S)NC2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000012970972 220047758 /nfs/dbraw/zinc/04/77/58/220047758.db2.gz KJNJOHKKTPLNHY-WDZFZDKYSA-N 0 0 372.362 2.547 50 5 FFBARN Cc1cccc(OCCN(C)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000045296751 211813842 /nfs/dbraw/zinc/81/38/42/211813842.db2.gz BMEJUKAKFVJHBY-UHFFFAOYSA-N 0 0 354.366 2.931 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CCCn1c(=O)oc2ccccc21 ZINC000015270883 220150534 /nfs/dbraw/zinc/15/05/34/220150534.db2.gz OTFFDVBSOHBODS-UHFFFAOYSA-N 0 0 371.349 2.930 50 5 FFBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000023053875 211373263 /nfs/dbraw/zinc/37/32/63/211373263.db2.gz IYCASLIKKATXCH-CYBMUJFWSA-N 0 0 357.366 2.987 50 5 FFBARN CCOc1ccc(CN2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000021475931 211315353 /nfs/dbraw/zinc/31/53/53/211315353.db2.gz ALVMEIYLJPFLBN-UHFFFAOYSA-N 0 0 369.421 2.952 50 5 FFBARN O=C(CCC(=O)OCC(=O)c1cccs1)Nc1ccc([N+](=O)[O-])cc1 ZINC000013856614 211064357 /nfs/dbraw/zinc/06/43/57/211064357.db2.gz FMPOMDPXTHQYDT-UHFFFAOYSA-N 0 0 362.363 2.801 50 5 FFBARN CCN(CC)C(=O)COc1cc(O)c2c(c1)oc1ccc(OC)cc1c2=O ZINC000012895831 211004360 /nfs/dbraw/zinc/00/43/60/211004360.db2.gz AILUKKSULMKYGB-UHFFFAOYSA-N 0 0 371.389 2.908 50 5 biogenic FFBARN COc1ccc(OCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)cc1 ZINC000010964073 210878930 /nfs/dbraw/zinc/87/89/30/210878930.db2.gz HYDJPLQRNFMCID-UHFFFAOYSA-N 0 0 374.349 2.782 50 5 FFBARN C[C@H](Sc1nnc2ccccn21)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000005212917 210608232 /nfs/dbraw/zinc/60/82/32/210608232.db2.gz CNEMDKINOKEPJE-VIFPVBQESA-N 0 0 361.358 2.896 50 5 FFBARN COC(=O)c1cc(C(=O)Nc2cccc(NC(C)=O)c2)cc([N+](=O)[O-])c1 ZINC000004177357 210515426 /nfs/dbraw/zinc/51/54/26/210515426.db2.gz QKRPCBRHOOMXJM-UHFFFAOYSA-N 0 0 357.322 2.592 50 5 FFBARN CCOC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000003194852 210453832 /nfs/dbraw/zinc/45/38/32/210453832.db2.gz NRFBIGCEOUFZEM-UHFFFAOYSA-N 0 0 359.294 2.932 50 5 FFBARN O=[N+]([O-])c1cnn(C(=S)Nc2cnn(Cc3ccccc3Cl)c2)c1 ZINC000002802291 210425216 /nfs/dbraw/zinc/42/52/16/210425216.db2.gz XOQPIUGNHOAIKT-UHFFFAOYSA-N 0 0 362.802 2.935 50 5 FFBARN COCCn1c(=O)c2c(=O)c3ccccc3oc2nc1-c1ccc(F)cc1 ZINC000002434236 210397943 /nfs/dbraw/zinc/39/79/43/210397943.db2.gz RPGYVFNEGICKJJ-UHFFFAOYSA-N 0 0 366.348 2.955 50 5 FFBARN Cc1nn(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(C)c1[N+](=O)[O-] ZINC000002101858 210380757 /nfs/dbraw/zinc/38/07/57/210380757.db2.gz MZDUKISGTYNRBA-UHFFFAOYSA-N 0 0 353.722 2.608 50 5 FFBARN C[C@H](C(=O)Nc1nnc(CCc2ccccc2)s1)n1cc([N+](=O)[O-])cn1 ZINC000001432067 210353536 /nfs/dbraw/zinc/35/35/36/210353536.db2.gz LCSGRBAZPVUZKV-LLVKDONJSA-N 0 0 372.410 2.628 50 5 FFBARN O=[N+]([O-])c1ccccc1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000001227616 210336894 /nfs/dbraw/zinc/33/68/94/210336894.db2.gz YBNXHYNHRCFQBN-UHFFFAOYSA-N 0 0 355.394 2.641 50 5 FFBARN COc1cccc(OC(=O)c2cc3cc([N+](=O)[O-])cc(OC)c3oc2=O)c1 ZINC000001132555 210323705 /nfs/dbraw/zinc/32/37/05/210323705.db2.gz QUVJLLLUWXBFOX-UHFFFAOYSA-N 0 0 371.301 2.938 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)Cn1c(=O)sc2ccccc21 ZINC000001134993 210323478 /nfs/dbraw/zinc/32/34/78/210323478.db2.gz HXEWMXXUSDLDEY-UHFFFAOYSA-N 0 0 359.363 2.619 50 5 FFBARN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc(OC(F)(F)Cl)cc1 ZINC000001072728 210313758 /nfs/dbraw/zinc/31/37/58/210313758.db2.gz GIIGHJKQSJPJEY-UHFFFAOYSA-N 0 0 360.704 2.906 50 5 FFBARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2[N+](=O)[O-])NC(=O)N1 ZINC000000956667 210295184 /nfs/dbraw/zinc/29/51/84/210295184.db2.gz KIPYWUZZUCRLHD-MRXNPFEDSA-N 0 0 352.350 2.861 50 5 FFBARN Cc1nn(C)c(C)c1N1C(=O)c2cccc3cc([N+](=O)[O-])cc(c32)C1=O ZINC000000840955 210279625 /nfs/dbraw/zinc/27/96/25/210279625.db2.gz PTSVWYROZUUAET-UHFFFAOYSA-N 0 0 350.334 2.899 50 5 FFBARN O=C(NCc1ccccc1Cl)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 ZINC000000834682 210278732 /nfs/dbraw/zinc/27/87/32/210278732.db2.gz LOHBODDNWAYKQV-ZDUSSCGKSA-N 0 0 373.796 2.918 50 5 FFBARN CC(C)OC(=O)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O ZINC000000797304 210271840 /nfs/dbraw/zinc/27/18/40/210271840.db2.gz QIMAUJFQHOXPLO-UHFFFAOYSA-N 0 0 354.318 2.961 50 5 FFBARN CC1(C)Cc2cccc(OCCNC(=O)c3ccc(N)c([N+](=O)[O-])c3)c2O1 ZINC000024448968 220449507 /nfs/dbraw/zinc/44/95/07/220449507.db2.gz FMKUAJCUSUPAAZ-UHFFFAOYSA-N 0 0 371.393 2.699 50 5 FFBARN O=C(NCCNc1ccc(C(F)(F)F)cn1)c1ccccc1[N+](=O)[O-] ZINC000032818323 220684306 /nfs/dbraw/zinc/68/43/06/220684306.db2.gz LNVDCPPRZAKEJC-UHFFFAOYSA-N 0 0 354.288 2.851 50 5 FFBARN COCCN(Cc1cccs1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000055235758 221062726 /nfs/dbraw/zinc/06/27/26/221062726.db2.gz FWGBWVRUJTYFBD-UHFFFAOYSA-N 0 0 374.415 2.633 50 5 FFBARN Nc1nccc([C@H]2CCCN(c3ccc4ncccc4c3[N+](=O)[O-])C2)n1 ZINC000170616222 132264835 /nfs/dbraw/zinc/26/48/35/132264835.db2.gz GMVVDXBMOXVDST-LBPRGKRZSA-N 0 0 350.382 2.899 50 5 FFBARN O=C(Nc1cccc(Cl)c1N1CCOCC1)c1ccc([N+](=O)[O-])o1 ZINC000002865851 132384199 /nfs/dbraw/zinc/38/41/99/132384199.db2.gz HRXFKGFAASAQSY-UHFFFAOYSA-N 0 0 351.746 2.930 50 5 FFBARN COc1ccc(Nc2nc(N3CCC[C@H](C)C3)nc(N)c2[N+](=O)[O-])cc1 ZINC000004306117 132386745 /nfs/dbraw/zinc/38/67/45/132386745.db2.gz SKSKDYDNBCQNQF-NSHDSACASA-N 0 0 358.402 2.956 50 5 FFBARN O=c1c([N+](=O)[O-])c(N2CCOCC2)c2ccccc2n1-c1ccccc1 ZINC000004310963 132386801 /nfs/dbraw/zinc/38/68/01/132386801.db2.gz PNUFJHGTUAPVFD-UHFFFAOYSA-N 0 0 351.362 2.736 50 5 FFBARN COc1cccc(Nc2cc(N3CCOCC3)c3nonc3c2[N+](=O)[O-])c1 ZINC000004707163 132824101 /nfs/dbraw/zinc/82/41/01/132824101.db2.gz WHKNKJABNGBMGT-UHFFFAOYSA-N 0 0 371.353 2.720 50 5 FFBARN COc1ccccc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000004841367 132824850 /nfs/dbraw/zinc/82/48/50/132824850.db2.gz VBJVEBXMMTZZFF-UHFFFAOYSA-N 0 0 357.366 2.692 50 5 FFBARN C[C@H](CC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000057140759 136128281 /nfs/dbraw/zinc/12/82/81/136128281.db2.gz JVCJHJJXRPZNOT-OAHLLOKOSA-N 0 0 354.410 2.832 50 5 FFBARN O=C1[C@@H]2ON=C(c3ccc([N+](=O)[O-])cc3)C2=C(O)N1c1ccccc1Cl ZINC000103889826 222345211 /nfs/dbraw/zinc/34/52/11/222345211.db2.gz HQLLCKYHWPVNOU-UKRRQHHQSA-N 0 0 371.736 2.541 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000001518557 506263611 /nfs/dbraw/zinc/26/36/11/506263611.db2.gz FOGIOTBQWPDMCV-UHFFFAOYSA-N 0 0 369.333 2.509 50 5 FFBARN CN1C(=O)c2ccc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc2C1=O ZINC000002485190 506281771 /nfs/dbraw/zinc/28/17/71/506281771.db2.gz HOOLNVXNVVVMLP-UHFFFAOYSA-N 0 0 359.725 2.726 50 5 FFBARN CNc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC000032727302 506283777 /nfs/dbraw/zinc/28/37/77/506283777.db2.gz YLAVMWCNCNXZEU-ZDUSSCGKSA-N 0 0 357.366 2.549 50 5 FFBARN CNc1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000032796956 506297449 /nfs/dbraw/zinc/29/74/49/506297449.db2.gz FVJXFIAYJKEHNZ-MRXNPFEDSA-N 0 0 368.393 2.880 50 5 FFBARN Cc1ccc(Cl)cc1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000003598612 506346866 /nfs/dbraw/zinc/34/68/66/506346866.db2.gz FDGGWEPWPRSZQH-UHFFFAOYSA-N 0 0 373.752 2.791 50 5 FFBARN COC(=O)c1ccc(N2CCN(c3ccccc3OC)CC2)c([N+](=O)[O-])c1 ZINC000004182243 506363564 /nfs/dbraw/zinc/36/35/64/506363564.db2.gz BNCOAWXQXHYGOQ-UHFFFAOYSA-N 0 0 371.393 2.717 50 5 FFBARN C[C@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1 ZINC000004219362 506366405 /nfs/dbraw/zinc/36/64/05/506366405.db2.gz SHDSKLUMWXTGDD-ZDUSSCGKSA-N 0 0 374.418 2.935 50 5 FFBARN CC1=C(C(=O)O[C@@H]2CCC[C@H]2C)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 ZINC000004256032 506368408 /nfs/dbraw/zinc/36/84/08/506368408.db2.gz BQRURLIZQQYDGS-QSGSBWRWSA-N 0 0 359.382 2.955 50 5 FFBARN COc1cc(OC)cc(-c2nnc(NC(=O)c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000004330104 506373406 /nfs/dbraw/zinc/37/34/06/506373406.db2.gz KVVQBZNGLVUKQR-UHFFFAOYSA-N 0 0 370.321 2.914 50 5 FFBARN O=C1CCCN1c1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000004596973 506385327 /nfs/dbraw/zinc/38/53/27/506385327.db2.gz JQGFYFPXSTUEPI-UHFFFAOYSA-N 0 0 361.379 2.522 50 5 FFBARN CC(=O)N1CCN(c2cc(Br)c([N+](=O)[O-])cc2F)C[C@H]1C ZINC000004593443 506385349 /nfs/dbraw/zinc/38/53/49/506385349.db2.gz XTLJWSKNLHQHSF-MRVPVSSYSA-N 0 0 360.183 2.553 50 5 FFBARN CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@H](C)n1cc([N+](=O)[O-])cn1 ZINC000004686792 506387917 /nfs/dbraw/zinc/38/79/17/506387917.db2.gz FIVJTLNIZKUVEY-VIFPVBQESA-N 0 0 366.399 2.846 50 5 FFBARN O=C(CCC(=O)OCC(=O)c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004833943 506397564 /nfs/dbraw/zinc/39/75/64/506397564.db2.gz RCSXIQXXJKLASH-UHFFFAOYSA-N 0 0 374.324 2.879 50 5 FFBARN Cc1cccc(CCNc2c([N+](=O)[O-])nn(-c3ccccc3C)[n+]2[O-])c1 ZINC000004971351 506410857 /nfs/dbraw/zinc/41/08/57/506410857.db2.gz ITIJYGWTASNRAB-UHFFFAOYSA-N 0 0 353.382 2.685 50 5 FFBARN C[C@H](OC(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000004979794 506411152 /nfs/dbraw/zinc/41/11/52/506411152.db2.gz MXUTZLYIYUXFEC-NSHDSACASA-N 0 0 372.333 2.550 50 5 FFBARN CC1=NN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@](O)(c2cccc([N+](=O)[O-])c2)C1 ZINC000005232394 506430875 /nfs/dbraw/zinc/43/08/75/506430875.db2.gz UFACBOHXFLUWTR-QGZVFWFLSA-N 0 0 370.321 2.570 50 5 FFBARN CCCCOC(=O)c1nn2cc(-c3n[nH]cc3[N+](=O)[O-])cnc2c1Cl ZINC000005298276 506433565 /nfs/dbraw/zinc/43/35/65/506433565.db2.gz LURQICYPYADIHN-UHFFFAOYSA-N 0 0 364.749 2.638 50 5 FFBARN Cn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccco1 ZINC000005864851 506459515 /nfs/dbraw/zinc/45/95/15/506459515.db2.gz PIIBUGSNNGLBSR-UHFFFAOYSA-N 0 0 359.367 2.714 50 5 FFBARN CN(C)n1ccc2nc3ccn(CCC4=CCCCC4)c(=O)c3cc2c1=O ZINC000040398679 506481085 /nfs/dbraw/zinc/48/10/85/506481085.db2.gz ZMKRNCCLFBNIKX-UHFFFAOYSA-N 0 0 364.449 2.800 50 5 FFBARN Cc1ccccc1OCCOC(=O)c1cc([N+](=O)[O-])ccc1NCCO ZINC000006465277 506484479 /nfs/dbraw/zinc/48/44/79/506484479.db2.gz FEKZKMVXPSUTGH-UHFFFAOYSA-N 0 0 360.366 2.543 50 5 FFBARN COc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000006552961 506488030 /nfs/dbraw/zinc/48/80/30/506488030.db2.gz FUNCCNPAHYUWFW-LLVKDONJSA-N 0 0 374.349 2.796 50 5 FFBARN C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N)C(=O)Nc1cc(F)ccc1F ZINC000007206852 506543847 /nfs/dbraw/zinc/54/38/47/506543847.db2.gz BSVXXQVFAOGBGR-MRVPVSSYSA-N 0 0 365.292 2.639 50 5 FFBARN COc1cc2c(cc1OC)CN(C(=O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC000007489211 506567729 /nfs/dbraw/zinc/56/77/29/506567729.db2.gz WHQUNRHXRVAVKB-UHFFFAOYSA-N 0 0 372.377 2.576 50 5 FFBARN CSc1ncccc1C(=O)O[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000007657632 506579279 /nfs/dbraw/zinc/57/92/79/506579279.db2.gz XUVLJKVZRVYPLY-SNVBAGLBSA-N 0 0 361.379 2.896 50 5 FFBARN O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 ZINC000007842722 506596418 /nfs/dbraw/zinc/59/64/18/506596418.db2.gz BBCCTQCCCQFSKE-CQSZACIVSA-N 0 0 365.183 2.821 50 5 FFBARN COCCNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCOc2ccccc21 ZINC000007909606 506600192 /nfs/dbraw/zinc/60/01/92/506600192.db2.gz YPFZNZNWSAZQFL-KRWDZBQOSA-N 0 0 371.393 2.907 50 5 FFBARN O=C(OCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000007985492 506610011 /nfs/dbraw/zinc/61/00/11/506610011.db2.gz KKXRQLPQMWKDJK-QGZVFWFLSA-N 0 0 368.389 2.729 50 5 FFBARN Cc1ccnn1-c1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000008183638 506629707 /nfs/dbraw/zinc/62/97/07/506629707.db2.gz XZEHYGRSEHWWMB-UHFFFAOYSA-N 0 0 365.393 2.931 50 5 FFBARN O=C(NCc1ccccc1F)c1cc(N2CCOCC2)ccc1[N+](=O)[O-] ZINC000008331371 506643564 /nfs/dbraw/zinc/64/35/64/506643564.db2.gz ZFRZYWXMWQSQJX-UHFFFAOYSA-N 0 0 359.357 2.501 50 5 FFBARN O=C(N=c1[nH]c2ccccc2[nH]1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000008405692 506649574 /nfs/dbraw/zinc/64/95/74/506649574.db2.gz OXMOLDOJROOMPB-UHFFFAOYSA-N 0 0 351.366 2.746 50 5 FFBARN O=[N+]([O-])c1cnc(N2CCO[C@H](c3ccccc3F)C2)nc1NC1CC1 ZINC000066814246 506649864 /nfs/dbraw/zinc/64/98/64/506649864.db2.gz WXEFOUIMFAGEOA-HNNXBMFYSA-N 0 0 359.361 2.676 50 5 FFBARN COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000009095369 506680868 /nfs/dbraw/zinc/68/08/68/506680868.db2.gz AMDZRNDCEUFLMT-GFCCVEGCSA-N 0 0 361.398 2.723 50 5 FFBARN O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000009157457 506685291 /nfs/dbraw/zinc/68/52/91/506685291.db2.gz SGXRGNSCMFLZOV-CQSZACIVSA-N 0 0 369.377 2.739 50 5 FFBARN Cc1sc2ncnc(N[C@@H](CO)[C@@H](O)c3ccc([N+](=O)[O-])cc3)c2c1C ZINC000011170321 506768350 /nfs/dbraw/zinc/76/83/50/506768350.db2.gz HAGOYDBUFBWQDO-ZFWWWQNUSA-N 0 0 374.422 2.723 50 5 FFBARN CNc1ccc(C(=O)NCc2ccccc2Cn2cccn2)cc1[N+](=O)[O-] ZINC000012587467 506882186 /nfs/dbraw/zinc/88/21/86/506882186.db2.gz NIWVJOCHNKPQJI-UHFFFAOYSA-N 0 0 365.393 2.811 50 5 FFBARN COc1ccccc1CNC(=O)c1ccc2nc3ccccc3c(=O)n2c1 ZINC000057477668 507275471 /nfs/dbraw/zinc/27/54/71/507275471.db2.gz WXJHRDGLOMPEQV-UHFFFAOYSA-N 0 0 359.385 2.786 50 5 FFBARN CN(Cc1nnnn1-c1ccccc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000057503298 507281322 /nfs/dbraw/zinc/28/13/22/507281322.db2.gz XEWFPKCHFWQCBU-UHFFFAOYSA-N 0 0 358.789 2.856 50 5 FFBARN O=c1c(C(F)(F)F)cccn1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000047370045 507317760 /nfs/dbraw/zinc/31/77/60/507317760.db2.gz GZJMMRGSTLLZHS-UHFFFAOYSA-N 0 0 366.255 2.874 50 5 FFBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000023057678 507328036 /nfs/dbraw/zinc/32/80/36/507328036.db2.gz OUVUVGOOYBYVAA-IRXDYDNUSA-N 0 0 374.485 2.674 50 5 FFBARN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(c3ncccn3)CC2)o1 ZINC000023280591 507343847 /nfs/dbraw/zinc/34/38/47/507343847.db2.gz PCWAJIXBVMUSEX-UHFFFAOYSA-N 0 0 365.393 2.967 50 5 FFBARN CCc1cc2c(ncnc2N[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000024060895 507389229 /nfs/dbraw/zinc/38/92/29/507389229.db2.gz AQQIGBDKEACOEU-GJZGRUSLSA-N 0 0 374.422 2.668 50 5 FFBARN Cc1cc(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000024208837 507398056 /nfs/dbraw/zinc/39/80/56/507398056.db2.gz WVTRUHTVGKNFGK-SFHVURJKSA-N 0 0 369.421 2.707 50 5 FFBARN COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccncc2)cc1[N+](=O)[O-] ZINC000024434517 507410275 /nfs/dbraw/zinc/41/02/75/507410275.db2.gz OXFKTUZQNIJSFE-CQSZACIVSA-N 0 0 363.395 2.524 50 5 FFBARN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2COc3ccccc3O2)c1 ZINC000025043968 507461426 /nfs/dbraw/zinc/46/14/26/507461426.db2.gz CLHBEMGCKGLTSG-LLVKDONJSA-N 0 0 360.391 2.887 50 5 FFBARN CCOc1ccc(NC(=O)CN(C)c2ccc([N+](=O)[O-])cn2)cc1OCC ZINC000025370209 507495147 /nfs/dbraw/zinc/49/51/47/507495147.db2.gz LGBSJAXQBQIYLJ-UHFFFAOYSA-N 0 0 374.397 2.862 50 5 FFBARN C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[C@@H](C)O1 ZINC000079064727 507929469 /nfs/dbraw/zinc/92/94/69/507929469.db2.gz KEKDZKSTYYDXQC-HTQZYQBOSA-N 0 0 361.167 2.746 50 5 FFBARN CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000080344021 508066769 /nfs/dbraw/zinc/06/67/69/508066769.db2.gz CIVOWSCIKHTXBI-LBPRGKRZSA-N 0 0 353.400 2.843 50 5 FFBARN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCC(C)(C)CCCO ZINC000095458793 508186563 /nfs/dbraw/zinc/18/65/63/508186563.db2.gz UZVRKINTQHRFRY-UHFFFAOYSA-N 0 0 355.347 2.500 50 5 FFBARN CS(=O)(=O)c1cc([N+](=O)[O-])c(OC(F)(F)F)cc1Br ZINC000095496049 508189030 /nfs/dbraw/zinc/18/90/30/508189030.db2.gz KCHRASZRDOIERM-UHFFFAOYSA-N 0 0 364.095 2.659 50 5 FFBARN Nc1nccc([C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)n1 ZINC000253410469 509879510 /nfs/dbraw/zinc/87/95/10/509879510.db2.gz AQOQUDLSXFPKCS-JTQLQIEISA-N 0 0 361.789 2.640 50 5 FFBARN O=C1CCc2cc([N+](=O)[O-])c(N[C@H]3CCCN(CC(F)(F)F)C3)cc2N1 ZINC000253426856 509881071 /nfs/dbraw/zinc/88/10/71/509881071.db2.gz BGIVMSSWMCVAHP-NSHDSACASA-N 0 0 372.347 2.918 50 5 FFBARN CCN(Cc1c(C)nn(CC)c1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000020602078 521278809 /nfs/dbraw/zinc/27/88/09/521278809.db2.gz BZAQMDJUZQPSJA-UHFFFAOYSA-N 0 0 366.443 2.639 50 5 FFBARN O=C1C[C@@H](c2ccccc2[N+](=O)[O-])c2c(=O)[nH]c(N3CCCCC3)nc2N1 ZINC000670416096 571336734 /nfs/dbraw/zinc/33/67/34/571336734.db2.gz KHSCQLKHNBRXRX-LBPRGKRZSA-N 0 0 369.381 2.555 50 5 FFBARN COC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000002831270 966389248 /nfs/dbraw/zinc/38/92/48/966389248.db2.gz GQMMCGGEGLZMNF-DVQDXYAYSA-N 0 0 354.362 2.509 50 5 FFBARN COc1ccc(OC)c(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)c1 ZINC000000725777 210266012 /nfs/dbraw/zinc/26/60/12/210266012.db2.gz VKXGCNDTMZFEKI-GDNBJRDFSA-N 0 0 354.318 2.957 50 5 FFBARN CC(C)(C)n1nc2c(c1NC(=O)c1ccccc1[N+](=O)[O-])C[S@](=O)C2 ZINC000004106090 219543272 /nfs/dbraw/zinc/54/32/72/219543272.db2.gz YYEFHZGUHGEGIC-RUZDIDTESA-N 0 0 362.411 2.561 50 5 FFBARN Cn1nnnc1-c1cccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000008728809 219867945 /nfs/dbraw/zinc/86/79/45/219867945.db2.gz IJSBIDFVJDVSJI-UHFFFAOYSA-N 0 0 358.745 2.691 50 5 FFBARN COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C(=O)N(C)C)cc1OC ZINC000025213081 211426273 /nfs/dbraw/zinc/42/62/73/211426273.db2.gz VUNUTMSFRHLJBI-UHFFFAOYSA-N 0 0 373.365 2.566 50 5 FFBARN Cc1cccc(C(=O)N2CCN(CCOc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000023641600 211393847 /nfs/dbraw/zinc/39/38/47/211393847.db2.gz HPNLAKXUFNBEQC-UHFFFAOYSA-N 0 0 369.421 2.740 50 5 FFBARN Cc1ccc(NC(=O)[C@@H](c2cccc([N+](=O)[O-])c2)N2CCOCC2)cc1 ZINC000022028046 211335246 /nfs/dbraw/zinc/33/52/46/211335246.db2.gz VJXJVGFTMDIEQI-GOSISDBHSA-N 0 0 355.394 2.915 50 5 FFBARN COc1ccc(OCC2=NN(C(C)=O)[C@H](c3cccc([N+](=O)[O-])c3)O2)cc1 ZINC000021151676 211309785 /nfs/dbraw/zinc/30/97/85/211309785.db2.gz GBSLLKLETFLYRD-SFHVURJKSA-N 0 0 371.349 2.873 50 5 FFBARN CC(=O)N1N=C(c2ccc3c(c2)OCO3)O[C@H]1c1ccccc1[N+](=O)[O-] ZINC000021092026 211304887 /nfs/dbraw/zinc/30/48/87/211304887.db2.gz SCYQNNYUDAZPQJ-KRWDZBQOSA-N 0 0 355.306 2.563 50 5 FFBARN COc1ccc(C2=NN(C(C)=O)[C@H](c3ccc([N+](=O)[O-])cc3)O2)cc1OC ZINC000021090604 211304952 /nfs/dbraw/zinc/30/49/52/211304952.db2.gz BHTLYQJCVBKEEH-SFHVURJKSA-N 0 0 371.349 2.851 50 5 FFBARN C[C@@H](OC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(=O)c1ccc(F)c(F)c1 ZINC000016207994 211156640 /nfs/dbraw/zinc/15/66/40/211156640.db2.gz OVRGVNXYFHJPKW-MRVPVSSYSA-N 0 0 350.277 2.883 50 5 FFBARN COc1cc2c(cc1OC)CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000015977309 211151453 /nfs/dbraw/zinc/15/14/53/211151453.db2.gz LOSARNASPVXQAZ-UHFFFAOYSA-N 0 0 356.378 2.739 50 5 FFBARN CCCc1cc(=O)[nH]c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)n1 ZINC000016045265 211153612 /nfs/dbraw/zinc/15/36/12/211153612.db2.gz YDKWQXNUYAFLFM-UHFFFAOYSA-N 0 0 363.395 2.789 50 5 FFBARN O=C(CCNc1ccc([N+](=O)[O-])cn1)NCCc1c[nH]c2ccccc12 ZINC000013734492 211055878 /nfs/dbraw/zinc/05/58/78/211055878.db2.gz HKEDQWFIJBWGCK-UHFFFAOYSA-N 0 0 353.382 2.632 50 5 FFBARN CCNC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000013624070 211043773 /nfs/dbraw/zinc/04/37/73/211043773.db2.gz VVIKKJRXAFJOLZ-UHFFFAOYSA-N 0 0 358.310 2.505 50 5 FFBARN COc1ccc(NC(=O)CSc2nnc(C(C)C)[nH]2)c([N+](=O)[O-])c1 ZINC000013143754 211026388 /nfs/dbraw/zinc/02/63/88/211026388.db2.gz LNPYFWSNRQFUAG-UHFFFAOYSA-N 0 0 351.388 2.576 50 5 FFBARN Cc1ccccc1-c1noc(Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)n1 ZINC000013000808 211019551 /nfs/dbraw/zinc/01/95/51/211019551.db2.gz GVKXHRCIAHOTIQ-UHFFFAOYSA-N 0 0 363.333 2.711 50 5 FFBARN O=C(CNc1ccc(F)c([N+](=O)[O-])c1)Nc1ccccc1C(=O)NC1CC1 ZINC000012977716 211014415 /nfs/dbraw/zinc/01/44/15/211014415.db2.gz AWSDEYSKIHQEIR-UHFFFAOYSA-N 0 0 372.356 2.677 50 5 FFBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000012435231 210956390 /nfs/dbraw/zinc/95/63/90/210956390.db2.gz HISCLRHUOFYNQH-UHFFFAOYSA-N 0 0 355.350 2.961 50 5 FFBARN Cc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000011549261 210885743 /nfs/dbraw/zinc/88/57/43/210885743.db2.gz YUQSMSQXTZPAEW-UHFFFAOYSA-N 0 0 368.393 2.846 50 5 FFBARN CCOc1cc(C(=O)N=c2[nH]c3ccccc3[nH]2)c([N+](=O)[O-])cc1OC ZINC000009337602 210827982 /nfs/dbraw/zinc/82/79/82/210827982.db2.gz CNOMZQSAAYGFTI-UHFFFAOYSA-N 0 0 356.338 2.553 50 5 FFBARN O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=C2NCCc1ccc(Cl)cc1 ZINC000005344430 210614837 /nfs/dbraw/zinc/61/48/37/210614837.db2.gz ZARIYOLTPJXABM-UHFFFAOYSA-N 0 0 365.798 2.529 50 5 FFBARN Nc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C(=O)N1CCCC1)c1ccccc1 ZINC000005278550 210612713 /nfs/dbraw/zinc/61/27/13/210612713.db2.gz ZZYWHPCUVJGAFM-KRWDZBQOSA-N 0 0 369.377 2.698 50 5 FFBARN COc1ccc(NC(=O)COC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000003224668 210456320 /nfs/dbraw/zinc/45/63/20/210456320.db2.gz JRAFVRAIWJXWNE-IZZDOVSWSA-N 0 0 356.334 2.799 50 5 FFBARN Cc1nn(CC(=O)NCc2cc3cc(Cl)ccc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000002760647 210420113 /nfs/dbraw/zinc/42/01/13/210420113.db2.gz RXIWAMMDFJTJEX-UHFFFAOYSA-N 0 0 361.789 2.859 50 5 FFBARN O=c1ccc(C(F)(F)F)cn1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000002620047 210408831 /nfs/dbraw/zinc/40/88/31/210408831.db2.gz XCVQLENDAAXYKO-UHFFFAOYSA-N 0 0 356.256 2.690 50 5 FFBARN COCCCn1c(=O)c2c(=O)c3ccc(OC)cc3oc2nc1C(C)C ZINC000002343117 210391191 /nfs/dbraw/zinc/39/11/91/210391191.db2.gz PPNRUAZLHVFOEJ-UHFFFAOYSA-N 0 0 358.394 2.671 50 5 FFBARN CCOc1ccc(C(=O)NC(=S)Nc2cccc(C)n2)cc1[N+](=O)[O-] ZINC000001173599 210329328 /nfs/dbraw/zinc/32/93/28/210329328.db2.gz VPBHRXGXJLTINN-UHFFFAOYSA-N 0 0 360.395 2.824 50 5 FFBARN COc1cc(C(=O)Nc2nnc(CC(C)C)s2)c([N+](=O)[O-])cc1OC ZINC000001152751 210326290 /nfs/dbraw/zinc/32/62/90/210326290.db2.gz QINGNMZERMDILN-UHFFFAOYSA-N 0 0 366.399 2.914 50 5 FFBARN COc1cc([N+](=O)[O-])cc2cc(C(=O)NCc3ccc(C)cc3)c(=O)oc21 ZINC000001070656 210313791 /nfs/dbraw/zinc/31/37/91/210313791.db2.gz JNPKOUVPEJAIJJ-UHFFFAOYSA-N 0 0 368.345 2.948 50 5 FFBARN CC(C)N1c2ccccc2[C@](O)(CC(=O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000001077841 210312835 /nfs/dbraw/zinc/31/28/35/210312835.db2.gz KDAMWLREFUTWDR-LJQANCHMSA-N 0 0 354.362 2.810 50 5 FFBARN COc1cc(CO)ccc1Oc1nc([N+](=O)[O-])nn1Cc1ccccc1F ZINC000001059153 210311080 /nfs/dbraw/zinc/31/10/80/210311080.db2.gz BAGCGHDJIDFEGF-UHFFFAOYSA-N 0 0 374.328 2.667 50 5 FFBARN Cc1ccc(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000000850451 210280195 /nfs/dbraw/zinc/28/01/95/210280195.db2.gz FZWVFTHKJVTYCI-UHFFFAOYSA-N 0 0 353.334 2.528 50 5 FFBARN CC1=C(C(=O)OCc2ccco2)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 ZINC000000844462 210278651 /nfs/dbraw/zinc/27/86/51/210278651.db2.gz YYTHXCTWIGEWMU-OAHLLOKOSA-N 0 0 357.322 2.559 50 5 FFBARN COC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc2nc(C)cc(C)n2n1 ZINC000032923354 220700750 /nfs/dbraw/zinc/70/07/50/220700750.db2.gz RYVSZHFEMRNJFT-UHFFFAOYSA-N 0 0 359.367 2.587 50 5 FFBARN CC(=O)c1ccc(N2CCN(c3nc(C)cc(C)n3)CC2)c([N+](=O)[O-])c1 ZINC000097083980 132227250 /nfs/dbraw/zinc/22/72/50/132227250.db2.gz DKLHKWVJCYWBQD-UHFFFAOYSA-N 0 0 355.398 2.531 50 5 FFBARN Cc1cccc(Nc2nc(N3C[C@H](C)O[C@@H](C)C3)nc(N)c2[N+](=O)[O-])c1 ZINC000005068640 132826339 /nfs/dbraw/zinc/82/63/39/132826339.db2.gz QBAOLCNCQYYCFT-RYUDHWBXSA-N 0 0 358.402 2.633 50 5 FFBARN CS(=O)(=O)c1ccc(N2CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000005638130 132829210 /nfs/dbraw/zinc/82/92/10/132829210.db2.gz RIBYXAZYIDQOGX-VIFPVBQESA-N 0 0 352.334 2.777 50 5 FFBARN O=C(NCc1cccnc1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]12 ZINC000024536599 132911440 /nfs/dbraw/zinc/91/14/40/132911440.db2.gz QVBRSFIHSOHDHL-HKUYNNGSSA-N 0 0 366.421 2.837 50 5 FFBARN COc1cc(CN2CCN(c3ccccc3)CC2)c([N+](=O)[O-])cc1OC ZINC000055543548 136127063 /nfs/dbraw/zinc/12/70/63/136127063.db2.gz HHBSQWADXFHNAM-UHFFFAOYSA-N 0 0 357.410 2.934 50 5 FFBARN CCCCCCn1c(=N)c(C(=O)OC)cc2c1nc1c(C)cccn1c2=O ZINC000100851719 222255081 /nfs/dbraw/zinc/25/50/81/222255081.db2.gz VMUXANMABMILGG-UHFFFAOYSA-N 0 0 368.437 2.804 50 5 FFBARN Cc1ccc(NC(=S)NCCn2cc([N+](=O)[O-])cn2)c(OC(F)F)c1 ZINC000002728505 506290092 /nfs/dbraw/zinc/29/00/92/506290092.db2.gz GEPKTTDAUYWHMJ-UHFFFAOYSA-N 0 0 371.369 2.688 50 5 FFBARN COc1ccc(N2C[C@@H](C(=O)N(C)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1 ZINC000032769188 506293776 /nfs/dbraw/zinc/29/37/76/506293776.db2.gz RQTLYFPQIMGMPR-ZDUSSCGKSA-N 0 0 369.377 2.619 50 5 FFBARN O=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000032779516 506295682 /nfs/dbraw/zinc/29/56/82/506295682.db2.gz LDDJNHPJCAFGHG-UHFFFAOYSA-N 0 0 368.349 2.888 50 5 FFBARN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000032904372 506308678 /nfs/dbraw/zinc/30/86/78/506308678.db2.gz WHXQZMZNLVOPRK-OAHLLOKOSA-N 0 0 365.393 2.586 50 5 FFBARN O=C(NCCNc1ccccc1[N+](=O)[O-])c1ccc2nc3n(c2c1)CCC3 ZINC000032935357 506314091 /nfs/dbraw/zinc/31/40/91/506314091.db2.gz CPNVZTXNCHDOKK-UHFFFAOYSA-N 0 0 365.393 2.733 50 5 FFBARN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc([N+](=O)[O-])c1 ZINC000003257068 506317527 /nfs/dbraw/zinc/31/75/27/506317527.db2.gz WMSYSGHMGFSTTD-UHFFFAOYSA-N 0 0 360.278 2.727 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1ccc(F)cc1 ZINC000003510032 506338313 /nfs/dbraw/zinc/33/83/13/506338313.db2.gz UHPFMIOPFVEGKC-JTQLQIEISA-N 0 0 362.313 2.927 50 5 FFBARN Cc1cc2ccccc2n1CC(=O)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000053275091 506346767 /nfs/dbraw/zinc/34/67/67/506346767.db2.gz SGYBPUFNOYTURJ-GOSISDBHSA-N 0 0 353.378 2.708 50 5 FFBARN Cc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)NCCc1ccccc1 ZINC000003896221 506351845 /nfs/dbraw/zinc/35/18/45/506351845.db2.gz IVRDBIUIZVHEED-UHFFFAOYSA-N 0 0 350.806 2.892 50 5 FFBARN O=[N+]([O-])c1cccc(C2=Nn3c(nnc3-c3ccccc3O)SC2)c1 ZINC000003911155 506353410 /nfs/dbraw/zinc/35/34/10/506353410.db2.gz NPEWMSBNILIWKP-UHFFFAOYSA-N 0 0 353.363 2.917 50 5 FFBARN CCc1ccc(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000004037856 506355757 /nfs/dbraw/zinc/35/57/57/506355757.db2.gz YFZKGCCMEQSCNE-UHFFFAOYSA-N 0 0 367.361 2.782 50 5 FFBARN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000004143328 506363041 /nfs/dbraw/zinc/36/30/41/506363041.db2.gz WLFRKALHVPBUGY-UHFFFAOYSA-N 0 0 357.731 2.957 50 5 FFBARN CCCCN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000004504732 506379589 /nfs/dbraw/zinc/37/95/89/506379589.db2.gz HXZZPKLZSWGFKM-LBPRGKRZSA-N 0 0 374.846 2.678 50 5 FFBARN Cc1nn(CC(=O)NCc2ccc(-n3cccc3)cc2)c(C)c1[N+](=O)[O-] ZINC000004628877 506386363 /nfs/dbraw/zinc/38/63/63/506386363.db2.gz XMWVYJNABHALIU-UHFFFAOYSA-N 0 0 353.382 2.515 50 5 FFBARN O=C1CCCC(=O)N1c1ccc(NCCc2ccccn2)c([N+](=O)[O-])c1 ZINC000004684498 506388338 /nfs/dbraw/zinc/38/83/38/506388338.db2.gz IFPCPFOUMDVCKK-UHFFFAOYSA-N 0 0 354.366 2.688 50 5 FFBARN O=[N+]([O-])c1ccccc1NCCNS(=O)(=O)c1ccc(Cl)cc1 ZINC000004687604 506388724 /nfs/dbraw/zinc/38/87/24/506388724.db2.gz OSYJXEWNKBBMFG-UHFFFAOYSA-N 0 0 355.803 2.639 50 5 FFBARN CN1CCc2c(sc3c2C(=O)N[C@H](/C=C\c2ccc([N+](=O)[O-])cc2)N3)C1 ZINC000004854421 506398374 /nfs/dbraw/zinc/39/83/74/506398374.db2.gz PXRUSSQOZFNDPD-QZDDGCDVSA-N 0 0 370.434 2.839 50 5 FFBARN Cc1nc(N2C[C@H](C)O[C@@H](C)C2)nc(NCc2ccccc2)c1[N+](=O)[O-] ZINC000036708816 506414810 /nfs/dbraw/zinc/41/48/10/506414810.db2.gz KQLQYQVFYCWXEY-STQMWFEESA-N 0 0 357.414 2.919 50 5 FFBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CC(=O)O[C@@]12CCOC(C)(C)C2 ZINC000005024679 506415394 /nfs/dbraw/zinc/41/53/94/506415394.db2.gz WPPNCEUAUFTUKU-FZKQIMNGSA-N 0 0 362.382 2.733 50 5 FFBARN O=C(c1cccc(F)c1F)N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000005033637 506417245 /nfs/dbraw/zinc/41/72/45/506417245.db2.gz QKWOMBIXUCUUJF-UHFFFAOYSA-N 0 0 365.311 2.975 50 5 FFBARN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cccc([N+](=O)[O-])c2)c1C ZINC000005058971 506419309 /nfs/dbraw/zinc/41/93/09/506419309.db2.gz HEMKOUYWJQUOGZ-NSHDSACASA-N 0 0 374.349 2.755 50 5 FFBARN Cc1ccc(Cn2cccc(C(=O)Nc3ncc([N+](=O)[O-])s3)c2=O)cc1 ZINC000005270222 506431459 /nfs/dbraw/zinc/43/14/59/506431459.db2.gz QXUKNSRUHAQRSY-UHFFFAOYSA-N 0 0 370.390 2.822 50 5 FFBARN COC(=O)c1ccc(O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000006404811 506480881 /nfs/dbraw/zinc/48/08/81/506480881.db2.gz MMHARGKHJJNSDN-NSHDSACASA-N 0 0 374.349 2.796 50 5 FFBARN CC(C)(C)c1ccc(C(=O)NCc2nnc3n2CCCC3)cc1[N+](=O)[O-] ZINC000041139610 506493641 /nfs/dbraw/zinc/49/36/41/506493641.db2.gz GYYMAYRKXABGPG-UHFFFAOYSA-N 0 0 357.414 2.750 50 5 FFBARN Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2N)cc1F ZINC000007206875 506543321 /nfs/dbraw/zinc/54/33/21/506543321.db2.gz VWASLTIPHQXGQI-SNVBAGLBSA-N 0 0 361.329 2.809 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1ccc2c(c1)OCCO2 ZINC000007221817 506545383 /nfs/dbraw/zinc/54/53/83/506545383.db2.gz KYKXLVUQUPWTQM-NSHDSACASA-N 0 0 373.365 2.814 50 5 FFBARN COc1ccc(C(=O)OCC(=O)N2c3ccccc3C[C@H]2C)cc1[N+](=O)[O-] ZINC000007605281 506573246 /nfs/dbraw/zinc/57/32/46/506573246.db2.gz AJUKPEAEBXXUPB-GFCCVEGCSA-N 0 0 370.361 2.738 50 5 FFBARN COc1cccc([C@@]2(C)NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000008327721 506643858 /nfs/dbraw/zinc/64/38/58/506643858.db2.gz HTZJEDRWVAPXIP-GOSISDBHSA-N 0 0 355.350 2.571 50 5 FFBARN O=C(Cn1cc(Br)c([N+](=O)[O-])n1)NCc1ccc(Cl)cc1 ZINC000054919230 506647190 /nfs/dbraw/zinc/64/71/90/506647190.db2.gz DKIHDDZDFMQBOU-UHFFFAOYSA-N 0 0 373.594 2.524 50 5 FFBARN Cc1cc(C)nc(Sc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])n1 ZINC000008425476 506649940 /nfs/dbraw/zinc/64/99/40/506649940.db2.gz HZZOUEWGVQZLEI-UHFFFAOYSA-N 0 0 351.300 2.969 50 5 FFBARN Cc1cc(C(C)(C)C)cc(C)c1Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O ZINC000042649802 506650438 /nfs/dbraw/zinc/65/04/38/506650438.db2.gz OOPSPPWSWNKCRY-UHFFFAOYSA-N 0 0 357.410 2.818 50 5 FFBARN CN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)nc1n2CCOC1 ZINC000009108840 506681860 /nfs/dbraw/zinc/68/18/60/506681860.db2.gz PTQVSTAMXVEJTP-UHFFFAOYSA-N 0 0 352.350 2.751 50 5 FFBARN CC(=O)N1CCc2cc(N[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)ccc21 ZINC000012564889 506880489 /nfs/dbraw/zinc/88/04/89/506880489.db2.gz LVXVFMVCNPPXAH-GFCCVEGCSA-N 0 0 368.393 2.943 50 5 FFBARN Cc1cccc(C(=O)NCc2ccccc2CN2CCOCC2)c1[N+](=O)[O-] ZINC000012753195 506895329 /nfs/dbraw/zinc/89/53/29/506895329.db2.gz KNLFEGAAWYFJMR-UHFFFAOYSA-N 0 0 369.421 2.665 50 5 FFBARN Cc1nn(CC(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)c(C)c1[N+](=O)[O-] ZINC000045673320 506999697 /nfs/dbraw/zinc/99/96/97/506999697.db2.gz XSGDUXBTXNHONQ-INIZCTEOSA-N 0 0 370.413 2.798 50 5 FFBARN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCc2c1cccc2Cl ZINC000057147354 507185213 /nfs/dbraw/zinc/18/52/13/507185213.db2.gz AMAYJPCADBLCOU-CYBMUJFWSA-N 0 0 367.814 2.995 50 5 FFBARN CC[C@](C)(NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)OC ZINC000058197871 507383450 /nfs/dbraw/zinc/38/34/50/507383450.db2.gz GNWABOMIDKKFFG-NRFANRHFSA-N 0 0 366.417 2.613 50 5 FFBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000024836429 507442415 /nfs/dbraw/zinc/44/24/15/507442415.db2.gz ZJKBYHDTNFTYQY-AWEZNQCLSA-N 0 0 371.368 2.764 50 5 FFBARN COC(=O)C1=C(C)Nc2[nH]c(=S)[nH]c(=O)c2[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000028294252 507717888 /nfs/dbraw/zinc/71/78/88/507717888.db2.gz QWOMQZZKLYJBKI-LLVKDONJSA-N 0 0 374.378 2.757 50 5 FFBARN Cc1cc(=O)c(C(=O)N2C[C@H](C)C[C@@H](C)C2)nn1-c1ccccc1[N+](=O)[O-] ZINC000029514907 507780657 /nfs/dbraw/zinc/78/06/57/507780657.db2.gz GTXPUCYVFUTJLM-CHWSQXEVSA-N 0 0 370.409 2.567 50 5 FFBARN O=C(NC[C@@H]1Cc2ccccc2O1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000031370777 507819213 /nfs/dbraw/zinc/81/92/13/507819213.db2.gz HCERQWIODRUQJD-INIZCTEOSA-N 0 0 364.361 2.514 50 5 FFBARN O=C(Cn1c2ccccc2nc1NCCCO)c1cccc([N+](=O)[O-])c1 ZINC000002897748 966766173 /nfs/dbraw/zinc/76/61/73/966766173.db2.gz CCXMXEKZGGSJMS-UHFFFAOYSA-N 0 0 354.366 2.622 50 5 FFBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])OCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000005835197 1005319368 /nfs/dbraw/zinc/31/93/68/1005319368.db2.gz FVJNOQREHVHKMU-MDZDMXLPSA-N 0 0 371.305 2.698 50 5 FFBARN O=C(/C=C\c1cc([N+](=O)[O-])cc2c1OCOC2)Nc1nnc(C2CC2)s1 ZINC000096911763 1012454330 /nfs/dbraw/zinc/45/43/30/1012454330.db2.gz LGKUNGKZWHZIDW-ARJAWSKDSA-N 0 0 374.378 2.842 50 5 FFBARN O=C(/C=C\c1cc([N+](=O)[O-])cc2c1OCOC2)NCc1ccc(F)cc1 ZINC000096911744 1012454355 /nfs/dbraw/zinc/45/43/55/1012454355.db2.gz HGRIPCCIIRBTLG-UTCJRWHESA-N 0 0 358.325 2.930 50 5 FFBARN CC(=O)N(C)c1ccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000000675591 210261123 /nfs/dbraw/zinc/26/11/23/210261123.db2.gz NJLDHYDBHUVERY-UHFFFAOYSA-N 0 0 372.406 2.704 50 5 FFBARN CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc([N+](=O)[O-])ccc1OCC ZINC000000670970 210260809 /nfs/dbraw/zinc/26/08/09/210260809.db2.gz MWKJKUYFXFTTDK-OAHLLOKOSA-N 0 0 363.370 2.527 50 5 FFBARN C[C@@H](Cn1cc(Br)cn1)C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000002794299 210078048 /nfs/dbraw/zinc/07/80/48/210078048.db2.gz HULNVIFMCCNGPD-QMMMGPOBSA-N 0 0 371.166 2.968 50 5 FFBARN O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 ZINC000002761926 210076868 /nfs/dbraw/zinc/07/68/68/210076868.db2.gz SRNCGQTZYQGMSR-UHFFFAOYSA-N 0 0 370.409 2.987 50 5 FFBARN CC1([N+](=O)[O-])COC2(OC1)c1ccccc1N(Cc1ccccc1F)C2=O ZINC000226762855 222887784 /nfs/dbraw/zinc/88/77/84/222887784.db2.gz RIFTUSFGIFAMRR-UHFFFAOYSA-N 0 0 372.352 2.608 50 5 FFBARN CC[C@@](C)(NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)OC ZINC000058197874 211993410 /nfs/dbraw/zinc/99/34/10/211993410.db2.gz GNWABOMIDKKFFG-OAQYLSRUSA-N 0 0 366.417 2.613 50 5 FFBARN Cc1cc(C(=O)NCc2ccc(CN3CCOCC3)cc2)ccc1[N+](=O)[O-] ZINC000012998583 220050613 /nfs/dbraw/zinc/05/06/13/220050613.db2.gz GDLOHTHJHUBNTJ-UHFFFAOYSA-N 0 0 369.421 2.665 50 5 FFBARN C[C@@H]1C(=O)N(CCOc2ccccc2[N+](=O)[O-])C(=O)N1c1ccc(F)cc1 ZINC000047349473 211852161 /nfs/dbraw/zinc/85/21/61/211852161.db2.gz CQMVVYVCZZNXIY-GFCCVEGCSA-N 0 0 373.340 2.970 50 5 FFBARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc([N+](=O)[O-])o2)NC(=O)N1 ZINC000016606825 220187744 /nfs/dbraw/zinc/18/77/44/220187744.db2.gz XAHROYCCJQZFKZ-HNNXBMFYSA-N 0 0 357.322 2.559 50 5 FFBARN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000032904373 211572271 /nfs/dbraw/zinc/57/22/71/211572271.db2.gz WHXQZMZNLVOPRK-HNNXBMFYSA-N 0 0 365.393 2.586 50 5 FFBARN NC(=O)c1ccc(COC(=O)CCn2ccc3ccccc32)c([N+](=O)[O-])c1 ZINC000016118363 211155391 /nfs/dbraw/zinc/15/53/91/211155391.db2.gz YCEUWXBVLDFMDM-UHFFFAOYSA-N 0 0 367.361 2.782 50 5 FFBARN Cc1ccc(NC(=O)COC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)c([N+](=O)[O-])c1 ZINC000013095443 211022499 /nfs/dbraw/zinc/02/24/99/211022499.db2.gz MSJFVEKHCHGHIX-PBWFPOADSA-N 0 0 374.393 2.780 50 5 FFBARN O=C(OCc1cccc([N+](=O)[O-])c1)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000013000842 211019093 /nfs/dbraw/zinc/01/90/93/211019093.db2.gz KBBKYVIHQVFPQH-KRWDZBQOSA-N 0 0 368.389 2.729 50 5 FFBARN O=C(OCc1cccc([N+](=O)[O-])c1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000013000840 211019006 /nfs/dbraw/zinc/01/90/06/211019006.db2.gz KBBKYVIHQVFPQH-QGZVFWFLSA-N 0 0 368.389 2.729 50 5 FFBARN COc1ccc2cc(CN(C)C(=O)c3cccc([N+](=O)[O-])c3)c(=O)[nH]c2c1 ZINC000009192141 210819555 /nfs/dbraw/zinc/81/95/55/210819555.db2.gz QCPVHXCYNCKXBG-UHFFFAOYSA-N 0 0 367.361 2.717 50 5 FFBARN Cc1ccc(NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1F ZINC000006785844 210700622 /nfs/dbraw/zinc/70/06/22/210700622.db2.gz RWHKTBSJVKNDHI-UHFFFAOYSA-N 0 0 363.370 2.872 50 5 FFBARN CCNc1nc(NCC)nc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 ZINC000003251722 210459696 /nfs/dbraw/zinc/45/96/96/210459696.db2.gz WQUCWLSKBNXGKG-UHFFFAOYSA-N 0 0 365.375 2.703 50 5 FFBARN C[C@H](Cn1cc([N+](=O)[O-])cn1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000002793590 210423177 /nfs/dbraw/zinc/42/31/77/210423177.db2.gz FDOFMVIIBPEJIH-RXMQYKEDSA-N 0 0 364.230 2.762 50 5 FFBARN COc1ccc(C(=O)N2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000019774110 220295418 /nfs/dbraw/zinc/29/54/18/220295418.db2.gz RZYUFHUBJPPQJJ-UHFFFAOYSA-N 0 0 355.394 2.561 50 5 FFBARN COCCOC(=O)c1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000001771519 210369755 /nfs/dbraw/zinc/36/97/55/210369755.db2.gz VSCYKSQRAAJKGW-UHFFFAOYSA-N 0 0 358.350 2.959 50 5 FFBARN COc1cc2c(cc1OC)[C@H](c1cc3c(cc1[N+](=O)[O-])OCO3)CC(=O)N2 ZINC000001440250 210353433 /nfs/dbraw/zinc/35/34/33/210353433.db2.gz ATBNZGVSEHYHFM-SECBINFHSA-N 0 0 372.333 2.815 50 5 FFBARN O=[N+]([O-])c1ccc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)s1 ZINC000001227105 210337180 /nfs/dbraw/zinc/33/71/80/210337180.db2.gz MWVFEORPRLVLHS-UHFFFAOYSA-N 0 0 361.423 2.703 50 5 FFBARN COC(=O)c1cc(C(=O)Nc2ccc(N(C)C(C)=O)cc2)cc([N+](=O)[O-])c1 ZINC000001182768 210330132 /nfs/dbraw/zinc/33/01/32/210330132.db2.gz WCNAEGLXRGOLTA-UHFFFAOYSA-N 0 0 371.349 2.616 50 5 FFBARN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCc1ccc(Cl)cc1 ZINC000001164498 210328149 /nfs/dbraw/zinc/32/81/49/210328149.db2.gz NGLORZBSWVIBIU-UHFFFAOYSA-N 0 0 374.736 2.588 50 5 FFBARN CCCN1c2ccccc2[C@@](O)(CC(=O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000001133911 210322674 /nfs/dbraw/zinc/32/26/74/210322674.db2.gz ZVSMYRMNAXHGFA-IBGZPJMESA-N 0 0 354.362 2.812 50 5 FFBARN Cc1c(NC(=O)c2ccc(F)cc2[N+](=O)[O-])c(=O)n(-c2ccccc2)n1C ZINC000001013943 210301264 /nfs/dbraw/zinc/30/12/64/210301264.db2.gz PIJQYBUQKAIXSO-UHFFFAOYSA-N 0 0 370.340 2.784 50 5 FFBARN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)[C@H]1COc2ccccc2O1 ZINC000000953142 210295201 /nfs/dbraw/zinc/29/52/01/210295201.db2.gz AICVVEYTDPSICO-CYBMUJFWSA-N 0 0 357.347 2.983 50 5 FFBARN O=C(Nc1nnc(C2=COCCO2)o1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000009427805 210290353 /nfs/dbraw/zinc/29/03/53/210290353.db2.gz HULPHDATGNYCJW-UHFFFAOYSA-N 0 0 374.334 2.790 50 5 FFBARN COc1cccc(CN2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c1OC ZINC000000865096 210282493 /nfs/dbraw/zinc/28/24/93/210282493.db2.gz PJTLESMBXJYAEN-UHFFFAOYSA-N 0 0 371.437 2.930 50 5 FFBARN Cc1nn(CC(=O)Nc2ccc(OC(F)(F)F)cc2)c(C)c1[N+](=O)[O-] ZINC000000826506 210277235 /nfs/dbraw/zinc/27/72/35/210277235.db2.gz GFLBFGZCQXTANX-UHFFFAOYSA-N 0 0 358.276 2.945 50 5 FFBARN C[C@@H](Oc1ccc(Cl)cc1)C(=O)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000032999816 220709346 /nfs/dbraw/zinc/70/93/46/220709346.db2.gz RNRXZSOEXYIMOG-BDJLRTHQSA-N 0 0 364.785 2.865 50 5 FFBARN COc1nn(C)cc1C(=O)Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1 ZINC000042379124 220938113 /nfs/dbraw/zinc/93/81/13/220938113.db2.gz KISQAIUMNMTBLD-UHFFFAOYSA-N 0 0 365.396 2.774 50 5 FFBARN Cc1nn(CN2CCC(NC(=O)c3ccccc3C)CC2)c(C)c1[N+](=O)[O-] ZINC000054491664 221054288 /nfs/dbraw/zinc/05/42/88/221054288.db2.gz IWXBAXBADYINHL-UHFFFAOYSA-N 0 0 371.441 2.568 50 5 FFBARN CN(CCc1ccncc1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000062582061 221140292 /nfs/dbraw/zinc/14/02/92/221140292.db2.gz LNGFUMJDIAAQFT-UHFFFAOYSA-N 0 0 355.803 2.506 50 5 FFBARN CC(=O)N[C@@H]1Cc2ccccc2N(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000095972517 132216489 /nfs/dbraw/zinc/21/64/89/132216489.db2.gz JZMYRNYFXCNJNS-OAHLLOKOSA-N 0 0 373.796 2.956 50 5 FFBARN Cc1ccccc1N1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000002707852 132253943 /nfs/dbraw/zinc/25/39/43/132253943.db2.gz NIQPHMMKILZMAX-UHFFFAOYSA-N 0 0 370.365 2.774 50 5 FFBARN C[C@@H]1CN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cn2)C[C@@H](C)O1 ZINC000239782572 132289084 /nfs/dbraw/zinc/28/90/84/132289084.db2.gz CPHLIVBUPMAJGM-CHWSQXEVSA-N 0 0 356.382 2.856 50 5 FFBARN O=[N+]([O-])c1cc(-c2nc(-c3ccccn3)no2)ccc1N1CCOCC1 ZINC000020898064 132899156 /nfs/dbraw/zinc/89/91/56/132899156.db2.gz DJPBAUPWQVIFEC-UHFFFAOYSA-N 0 0 353.338 2.543 50 5 FFBARN CCOc1ccccc1OC1CCN(Cc2ncc([N+](=O)[O-])n2C)CC1 ZINC000097166031 222165596 /nfs/dbraw/zinc/16/55/96/222165596.db2.gz BIIQPSDPWMXOHC-UHFFFAOYSA-N 0 0 360.414 2.770 50 5 FFBARN CCc1nn(C)c(CC)c1CNC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000097163171 222166490 /nfs/dbraw/zinc/16/64/90/222166490.db2.gz IXYPRXQHFFZKHH-UHFFFAOYSA-N 0 0 361.402 2.783 50 5 FFBARN COc1ccccc1N1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000033916253 263396825 /nfs/dbraw/zinc/39/68/25/263396825.db2.gz NUKOAACTLSCAKB-KTKRTIGZSA-N 0 0 367.405 2.965 50 5 FFBARN C[C@H](Sc1nnc(N)s1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000002622425 506283910 /nfs/dbraw/zinc/28/39/10/506283910.db2.gz WNLKYAKRLMTJJZ-YFKPBYRVSA-N 0 0 359.820 2.801 50 5 FFBARN C[C@@H]1C[C@H](OC(=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)C(=O)O1 ZINC000032736103 506287816 /nfs/dbraw/zinc/28/78/16/506287816.db2.gz XORVIMMOUXEBFR-WBMJQRKESA-N 0 0 362.382 2.836 50 5 FFBARN CCOC(=O)C1=CN(C)C=C(C(=O)OCC)C1c1ccc(C)c([N+](=O)[O-])c1 ZINC000002796838 506292997 /nfs/dbraw/zinc/29/29/97/506292997.db2.gz NOBNMPJHFTYBPF-UHFFFAOYSA-N 0 0 374.393 2.826 50 5 FFBARN CCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(C)cc1 ZINC000002832595 506297312 /nfs/dbraw/zinc/29/73/12/506297312.db2.gz KBKQIIVELBRSIE-ATVHPVEESA-N 0 0 353.378 2.810 50 5 FFBARN Cc1ccc(N(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]2C=CS(=O)(=O)C2)cc1 ZINC000003173594 506310370 /nfs/dbraw/zinc/31/03/70/506310370.db2.gz NLYIDGYGOJUKMH-QGZVFWFLSA-N 0 0 372.402 2.861 50 5 FFBARN C[C@@H]1CN(C(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)C[C@@H](C)O1 ZINC000003234876 506314852 /nfs/dbraw/zinc/31/48/52/506314852.db2.gz JDSHPJUFWJGPDF-NXEZZACHSA-N 0 0 367.452 2.932 50 5 FFBARN Cc1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cccc1-n1cnnn1 ZINC000003431913 506331146 /nfs/dbraw/zinc/33/11/46/506331146.db2.gz VRDIKTFOOPBAAS-UHFFFAOYSA-N 0 0 358.745 2.785 50 5 FFBARN COCCCNc1nc(N)c([N+](=O)[O-])c(Nc2ccc(Cl)cc2)n1 ZINC000004305938 506369594 /nfs/dbraw/zinc/36/95/94/506369594.db2.gz RJUFAEQJFPFXSM-UHFFFAOYSA-N 0 0 352.782 2.812 50 5 FFBARN CN(C)C(=O)N[C@H](Nc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl ZINC000004531850 506380021 /nfs/dbraw/zinc/38/00/21/506380021.db2.gz HVANRYOBXAAFEF-VIFPVBQESA-N 0 0 355.609 2.974 50 5 FFBARN O=[N+]([O-])c1ccc(NCCNS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000004549815 506381787 /nfs/dbraw/zinc/38/17/87/506381787.db2.gz QFWQHGZRROBGHS-UHFFFAOYSA-N 0 0 355.803 2.639 50 5 FFBARN Cc1ccc(S(=O)(=O)NCCNc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000004565473 506383066 /nfs/dbraw/zinc/38/30/66/506383066.db2.gz FGKSPJHBPRXUAP-UHFFFAOYSA-N 0 0 369.830 2.947 50 5 FFBARN Cn1cc(Br)c(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000004646926 506386250 /nfs/dbraw/zinc/38/62/50/506386250.db2.gz ZXBVZXOKSJLPKZ-UHFFFAOYSA-N 0 0 359.567 2.997 50 5 FFBARN O=C(Nc1ccc(Cl)cn1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000004739315 506391260 /nfs/dbraw/zinc/39/12/60/506391260.db2.gz STRIFSXIYYYIQT-UHFFFAOYSA-N 0 0 362.773 2.732 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000004731991 506391684 /nfs/dbraw/zinc/39/16/84/506391684.db2.gz KPBOHTIMHJXDPW-LLVKDONJSA-N 0 0 373.340 2.734 50 5 FFBARN COc1ccc(Nc2nc(N)c([N+](=O)[O-])c(N3CCC(C)CC3)n2)cc1 ZINC000005025927 506415660 /nfs/dbraw/zinc/41/56/60/506415660.db2.gz KELRAPKVCYUDSN-UHFFFAOYSA-N 0 0 358.402 2.956 50 5 FFBARN COc1ccc(N2C(=S)N=NC2[C@H](C)n2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000005425091 506441020 /nfs/dbraw/zinc/44/10/20/506441020.db2.gz PFWAGGOPWGRCFP-NSHDSACASA-N 0 0 374.426 2.895 50 5 FFBARN CN(C)[C@@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000005688228 506453675 /nfs/dbraw/zinc/45/36/75/506453675.db2.gz RWNDXGYKQFIYPY-KRWDZBQOSA-N 0 0 363.439 2.713 50 5 FFBARN C[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])N1CCc2sccc2C1 ZINC000040074368 506463254 /nfs/dbraw/zinc/46/32/54/506463254.db2.gz KLDSQJWSAZSEIY-ZDUSSCGKSA-N 0 0 359.451 2.762 50 5 FFBARN O=C(Nc1ccccc1[N+](=O)[O-])N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000040149955 506473337 /nfs/dbraw/zinc/47/33/37/506473337.db2.gz ATJWHVPFADMVRU-INIZCTEOSA-N 0 0 354.366 2.690 50 5 FFBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1n[nH]c2ccccc21 ZINC000006370652 506479500 /nfs/dbraw/zinc/47/95/00/506479500.db2.gz FPBKOCVPJLWOPU-UHFFFAOYSA-N 0 0 354.322 2.575 50 5 FFBARN O=C(c1cccc([N+](=O)[O-])c1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000006987290 506524390 /nfs/dbraw/zinc/52/43/90/506524390.db2.gz WVKTWBCLUVDDFQ-UHFFFAOYSA-N 0 0 359.426 2.850 50 5 FFBARN C[C@H](Oc1ccc(C(=O)NC2CC2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000054271602 506527922 /nfs/dbraw/zinc/52/79/22/506527922.db2.gz RRMXNVBPOAQHGA-LBPRGKRZSA-N 0 0 369.377 2.893 50 5 FFBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000007067590 506530405 /nfs/dbraw/zinc/53/04/05/506530405.db2.gz JGGYEXRWCYDOCO-LBPRGKRZSA-N 0 0 362.407 2.832 50 5 FFBARN Cc1c(CSc2nnc(-c3ccco3)n2CC(N)=O)cccc1[N+](=O)[O-] ZINC000042155350 506604768 /nfs/dbraw/zinc/60/47/68/506604768.db2.gz YFYXVGCWTCMPLJ-UHFFFAOYSA-N 0 0 373.394 2.532 50 5 FFBARN COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000008092236 506621916 /nfs/dbraw/zinc/62/19/16/506621916.db2.gz RACCLZHDELCCHL-UHFFFAOYSA-N 0 0 370.770 2.836 50 5 FFBARN COc1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c(OC)c1 ZINC000008210540 506632473 /nfs/dbraw/zinc/63/24/73/506632473.db2.gz ZZJGAIUJEBIABF-UHFFFAOYSA-N 0 0 360.322 2.636 50 5 FFBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)C1CCN(C(=O)c2ccco2)CC1 ZINC000008246426 506635559 /nfs/dbraw/zinc/63/55/59/506635559.db2.gz SGTCYTWKXFLMLR-UHFFFAOYSA-N 0 0 357.366 2.987 50 5 FFBARN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000008349415 506644489 /nfs/dbraw/zinc/64/44/89/506644489.db2.gz FLYCQVZPRKDGDE-CQSZACIVSA-N 0 0 365.393 2.938 50 5 FFBARN CNc1ccc([N+](=O)[O-])cc1C(=O)OCc1cc(F)cc2c1OCOC2 ZINC000008529119 506657779 /nfs/dbraw/zinc/65/77/79/506657779.db2.gz OWRQSYFUQIJKFH-UHFFFAOYSA-N 0 0 362.313 2.999 50 5 FFBARN CN(C)C(=O)[C@@H]1CCCN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000008779862 506668403 /nfs/dbraw/zinc/66/84/03/506668403.db2.gz RZNXIMRAJITRTF-KRWDZBQOSA-N 0 0 367.405 2.883 50 5 FFBARN O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)c2c(=O)[nH]c(-c3ccccc3)nc2N1 ZINC000009165040 506686064 /nfs/dbraw/zinc/68/60/64/506686064.db2.gz HGUFKOZVHWBHQM-AWEZNQCLSA-N 0 0 362.345 2.819 50 5 FFBARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000009458813 506697575 /nfs/dbraw/zinc/69/75/75/506697575.db2.gz WGTXNOIERIRVSO-UHFFFAOYSA-N 0 0 360.322 2.651 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O ZINC000009585677 506704661 /nfs/dbraw/zinc/70/46/61/506704661.db2.gz XZYXGSPMEYZVQA-LJQANCHMSA-N 0 0 369.377 2.879 50 5 FFBARN O=[N+]([O-])c1cc(-c2noc(-c3ccncc3)n2)ccc1N1CCOCC1 ZINC000009669039 506706785 /nfs/dbraw/zinc/70/67/85/506706785.db2.gz VSWWUMVQWLQTJA-UHFFFAOYSA-N 0 0 353.338 2.543 50 5 FFBARN Cc1c(NCC(=O)Nc2ccccc2C(=O)NC2CC2)cccc1[N+](=O)[O-] ZINC000012562032 506880008 /nfs/dbraw/zinc/88/00/08/506880008.db2.gz MFVUWRVEXBDALG-UHFFFAOYSA-N 0 0 368.393 2.846 50 5 FFBARN Cc1ccc(C(=O)NCC(=O)Nc2nc(C(C)C)cs2)cc1[N+](=O)[O-] ZINC000012614291 506884228 /nfs/dbraw/zinc/88/42/28/506884228.db2.gz LQLXSCLMKKNOPU-UHFFFAOYSA-N 0 0 362.411 2.852 50 5 FFBARN O=C(OCCOc1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000015277965 507026187 /nfs/dbraw/zinc/02/61/87/507026187.db2.gz CLSZVFQTEQRPIR-UHFFFAOYSA-N 0 0 372.377 2.667 50 5 FFBARN CC(=O)c1ccc(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)c(F)c1 ZINC000016110860 507073530 /nfs/dbraw/zinc/07/35/30/507073530.db2.gz NDRPFMSUYQAUFK-UHFFFAOYSA-N 0 0 371.368 2.899 50 5 FFBARN Cc1nn(C)c(NC[C@H](O)COc2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000058160210 507375667 /nfs/dbraw/zinc/37/56/67/507375667.db2.gz QFJLQBVTBBGUIW-NSHDSACASA-N 0 0 374.319 2.507 50 5 FFBARN O=C(CSc1nnc2n1CCCCC2)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000024173235 507396045 /nfs/dbraw/zinc/39/60/45/507396045.db2.gz QZOHVNNZZCXRIG-UHFFFAOYSA-N 0 0 365.390 2.783 50 5 FFBARN O=C(Cc1ccc(OC(F)F)cc1)NCCNc1ccccc1[N+](=O)[O-] ZINC000024320740 507403898 /nfs/dbraw/zinc/40/38/98/507403898.db2.gz XLCFECJWBGWUSV-UHFFFAOYSA-N 0 0 365.336 2.967 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1C(=O)OCc1cc(F)cc2c1OCOC2 ZINC000024423195 507410267 /nfs/dbraw/zinc/41/02/67/507410267.db2.gz BPMIMZGNOWWARI-UHFFFAOYSA-N 0 0 363.297 2.966 50 5 FFBARN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2COc3ccccc3O2)c1 ZINC000025043975 507460926 /nfs/dbraw/zinc/46/09/26/507460926.db2.gz CLHBEMGCKGLTSG-NSHDSACASA-N 0 0 360.391 2.887 50 5 FFBARN O=C(Nc1ccccc1)[C@@H]1CCCN1c1ncc([N+](=O)[O-])c(NC2CC2)n1 ZINC000025494866 507505434 /nfs/dbraw/zinc/50/54/34/507505434.db2.gz UYQAETDAMSOBMQ-AWEZNQCLSA-N 0 0 368.397 2.567 50 5 FFBARN CNc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000027762201 507682399 /nfs/dbraw/zinc/68/23/99/507682399.db2.gz HHPONCHECSYIMX-UHFFFAOYSA-N 0 0 356.382 2.725 50 5 FFBARN O=C(NC[C@@H]1CCN(c2ccccc2)C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000027840276 507688424 /nfs/dbraw/zinc/68/84/24/507688424.db2.gz UQTGBUCWAVRUEW-ZDUSSCGKSA-N 0 0 365.393 2.727 50 5 FFBARN COc1ccc(C(=O)Nc2cccc(-c3nncn3C)c2)cc1[N+](=O)[O-] ZINC000031806881 507821921 /nfs/dbraw/zinc/82/19/21/507821921.db2.gz MGENRXZFMOKEBT-UHFFFAOYSA-N 0 0 353.338 2.651 50 5 FFBARN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCc2ccc(F)cc21 ZINC000225687361 509384663 /nfs/dbraw/zinc/38/46/63/509384663.db2.gz TUBLHXDRCPOIEZ-UHFFFAOYSA-N 0 0 357.341 2.879 50 5 FFBARN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)Nc2cccnc2)CC1 ZINC000084177530 571077010 /nfs/dbraw/zinc/07/70/10/571077010.db2.gz SRRRAUSLQNLRNY-UHFFFAOYSA-N 0 0 368.393 2.789 50 5 FFBARN O=C(/C=C\c1nc2ccccc2o1)NCCNc1ccccc1[N+](=O)[O-] ZINC000096904799 1012443474 /nfs/dbraw/zinc/44/34/74/1012443474.db2.gz BWVRTCUZVFVTPV-KTKRTIGZSA-N 0 0 352.350 2.978 50 5 FFBARN COc1ccc(-c2nc(N)c3c(n2)c2ccccc2oc3=O)cc1[N+](=O)[O-] ZINC000000753938 210074115 /nfs/dbraw/zinc/07/41/15/210074115.db2.gz LTQVVAVDCAUKKQ-UHFFFAOYSA-N 0 0 364.317 2.902 50 5 FFBARN CCOC(=O)Cc1csc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000045068457 210049075 /nfs/dbraw/zinc/04/90/75/210049075.db2.gz ZMDRWCIVOGFIOH-UHFFFAOYSA-N 0 0 366.424 2.966 50 5 FFBARN O=C(/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2)NCc1ccccc1F ZINC000007960935 219834629 /nfs/dbraw/zinc/83/46/29/219834629.db2.gz VLANTWIMZRHGBV-AATRIKPKSA-N 0 0 358.325 2.930 50 5 FFBARN COc1ccc(OC)c(S(=O)(=O)Oc2cc(F)ccc2[N+](=O)[O-])c1 ZINC000016094243 220178181 /nfs/dbraw/zinc/17/81/81/220178181.db2.gz JZGLOWVJGLFNPH-UHFFFAOYSA-N 0 0 357.315 2.519 50 5 FFBARN COc1cccc(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)c1 ZINC000018076935 220223845 /nfs/dbraw/zinc/22/38/45/220223845.db2.gz ZGUOXYGWXSJOLN-UHFFFAOYSA-N 0 0 371.349 2.930 50 5 FFBARN O=C(COC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1cc(F)ccc1F ZINC000024882573 211416010 /nfs/dbraw/zinc/41/60/10/211416010.db2.gz UMGJSMHTXXSPQY-UHFFFAOYSA-N 0 0 365.244 2.641 50 5 FFBARN CCc1c([N+](=O)[O-])c(C(N)=O)nn1CCOc1ccc(C(C)C)c(C)c1 ZINC000024841247 211415665 /nfs/dbraw/zinc/41/56/65/211415665.db2.gz NROIUYMORJYTMF-UHFFFAOYSA-N 0 0 360.414 2.963 50 5 FFBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCC[C@H]1CCCO1 ZINC000023876419 211397761 /nfs/dbraw/zinc/39/77/61/211397761.db2.gz PMIOFTPIBVPRBE-OAHLLOKOSA-N 0 0 350.418 2.840 50 5 FFBARN Cc1nn(Cc2ccc(C(=O)Nc3ncccc3O)cc2)c(C)c1[N+](=O)[O-] ZINC000022264200 211345380 /nfs/dbraw/zinc/34/53/80/211345380.db2.gz ABPNLBQVBZOYRQ-UHFFFAOYSA-N 0 0 367.365 2.809 50 5 FFBARN CC(=O)N1N=C(c2ccc3c(c2)OCO3)O[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000021092022 211305097 /nfs/dbraw/zinc/30/50/97/211305097.db2.gz SCYQNNYUDAZPQJ-QGZVFWFLSA-N 0 0 355.306 2.563 50 5 FFBARN CC(=O)Oc1ccccc1[C@@H]1OC(c2ccc([N+](=O)[O-])cc2)=NN1C(C)=O ZINC000021092336 211305027 /nfs/dbraw/zinc/30/50/27/211305027.db2.gz PCPPYMGAISXUIX-SFHVURJKSA-N 0 0 369.333 2.759 50 5 FFBARN CC(C)c1ccc(C2N3CC4([N+](=O)[O-])CN2CC([N+](=O)[O-])(C3)C4(C)C)cc1 ZINC000019320544 211215092 /nfs/dbraw/zinc/21/50/92/211215092.db2.gz CEEOYVKWLOWJQL-UHFFFAOYSA-N 0 0 374.441 2.511 50 5 FFBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1n[nH]c(-c2cccnc2)n1 ZINC000018191205 211194072 /nfs/dbraw/zinc/19/40/72/211194072.db2.gz BDMSMRYJZYDNFY-UHFFFAOYSA-N 0 0 370.394 2.814 50 5 FFBARN Cc1cc(OCC2N=NC(=S)N2C[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000017072693 211175036 /nfs/dbraw/zinc/17/50/36/211175036.db2.gz GNJDQPIBRWZMTF-GFCCVEGCSA-N 0 0 350.400 2.541 50 5 FFBARN O=C(Cc1nn2cnc3ccccc3c2nc1=O)c1cc2ccccc2o1 ZINC000014241053 211086737 /nfs/dbraw/zinc/08/67/37/211086737.db2.gz ULQLGLHZDOEKRG-UHFFFAOYSA-N 0 0 356.341 2.809 50 5 FFBARN CN(C)C(=O)[C@H]1CCCN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000008779864 210806701 /nfs/dbraw/zinc/80/67/01/210806701.db2.gz RZNXIMRAJITRTF-QGZVFWFLSA-N 0 0 367.405 2.883 50 5 FFBARN COCCNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCOc2ccccc21 ZINC000007909603 210758256 /nfs/dbraw/zinc/75/82/56/210758256.db2.gz YPFZNZNWSAZQFL-QGZVFWFLSA-N 0 0 371.393 2.907 50 5 FFBARN CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1ccccc1[N+](=O)[O-] ZINC000006059715 210654245 /nfs/dbraw/zinc/65/42/45/210654245.db2.gz DRCQAOWRRICKMT-UHFFFAOYSA-N 0 0 374.349 2.756 50 5 FFBARN CSc1ccc(C(=O)NC[C@@H]2COc3ccccc3O2)cc1[N+](=O)[O-] ZINC000005630938 210631927 /nfs/dbraw/zinc/63/19/27/210631927.db2.gz YOMNNYBIAGAOGQ-GFCCVEGCSA-N 0 0 360.391 2.887 50 5 FFBARN Cc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000004810650 210565211 /nfs/dbraw/zinc/56/52/11/210565211.db2.gz IGGGCTKOYQUNGA-UHFFFAOYSA-N 0 0 370.394 2.610 50 5 FFBARN Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1cccc(F)c1 ZINC000001429856 210353066 /nfs/dbraw/zinc/35/30/66/210353066.db2.gz OMVHGLDKNJRYQZ-UHFFFAOYSA-N 0 0 357.139 2.640 50 5 FFBARN COc1ccc(C(=O)COC(=O)c2ccc(NC(C)=O)cc2)cc1[N+](=O)[O-] ZINC000001171868 210328965 /nfs/dbraw/zinc/32/89/65/210328965.db2.gz AAZYXXFCVACTDM-UHFFFAOYSA-N 0 0 372.333 2.602 50 5 FFBARN Cc1ccc(C)c(NC(=O)[C@@H](C)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 ZINC000001151298 210326527 /nfs/dbraw/zinc/32/65/27/210326527.db2.gz DLUDDBQXJIEHFI-GFCCVEGCSA-N 0 0 367.361 2.835 50 5 FFBARN O=C(c1cccc([N+](=O)[O-])c1)N1NC2=C(CCCC2)[C@]1(O)C(F)(F)F ZINC000001212553 210335682 /nfs/dbraw/zinc/33/56/82/210335682.db2.gz JMNAMCJDPQGZKJ-RISCZKNCSA-N 0 0 357.288 2.848 50 5 FFBARN CN1c2ccc(Cl)cc2[C@](O)(CC(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000001068086 210311324 /nfs/dbraw/zinc/31/13/24/210311324.db2.gz JHFISHRHNDISFW-QGZVFWFLSA-N 0 0 360.753 2.685 50 5 FFBARN CCCN1c2ccccc2[C@@](O)(CC(=O)c2ccccc2[N+](=O)[O-])C1=O ZINC000001051963 210309842 /nfs/dbraw/zinc/30/98/42/210309842.db2.gz VGFOBZZATXMFBE-IBGZPJMESA-N 0 0 354.362 2.812 50 5 FFBARN O=C(NC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)C1CCCCC1 ZINC000001036998 210304436 /nfs/dbraw/zinc/30/44/36/210304436.db2.gz ZAHDDDBHKVUPJK-UHFFFAOYSA-N 0 0 359.426 2.896 50 5 FFBARN CNC(=O)c1ccc(N2CCC[C@H](c3nncn3C(C)C)C2)c([N+](=O)[O-])c1 ZINC000089894137 132200433 /nfs/dbraw/zinc/20/04/33/132200433.db2.gz KOFNAVSIKIHEGZ-AWEZNQCLSA-N 0 0 372.429 2.511 50 5 FFBARN CC(C)C(=O)N1CCN(c2cc(N3CCCC3)c(F)cc2[N+](=O)[O-])CC1 ZINC000004624266 132823751 /nfs/dbraw/zinc/82/37/51/132823751.db2.gz AXIIWZCGLDPYAU-UHFFFAOYSA-N 0 0 364.421 2.639 50 5 FFBARN O=[N+]([O-])c1ccccc1OCCN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000051374503 136124167 /nfs/dbraw/zinc/12/41/67/136124167.db2.gz SPGQTVFCMPLXKU-UHFFFAOYSA-N 0 0 372.381 2.704 50 5 FFBARN O=C(Nc1ccccc1)OCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000052521490 136124508 /nfs/dbraw/zinc/12/45/08/136124508.db2.gz MPTLPGCHHHWANV-UHFFFAOYSA-N 0 0 370.409 2.966 50 5 FFBARN O=C(COc1cccc([N+](=O)[O-])c1)NCc1ccc(N2CCCCC2)nc1 ZINC000053509762 136124832 /nfs/dbraw/zinc/12/48/32/136124832.db2.gz LSKSWWHZDXHZGH-UHFFFAOYSA-N 0 0 370.409 2.675 50 5 FFBARN COC(=O)c1ccc2c(c1)CCN2Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000097164438 222166402 /nfs/dbraw/zinc/16/64/02/222166402.db2.gz HWNSIXYMVGZSAE-UHFFFAOYSA-N 0 0 370.361 2.715 50 5 FFBARN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1ccc(Cl)cc1 ZINC000032400725 506248850 /nfs/dbraw/zinc/24/88/50/506248850.db2.gz GLGSLDGYJQHSJC-UHFFFAOYSA-N 0 0 356.787 2.735 50 5 FFBARN COc1ccc(C(=O)OCC(=O)NCCCc2ccccc2)cc1[N+](=O)[O-] ZINC000002664784 506287857 /nfs/dbraw/zinc/28/78/57/506287857.db2.gz KHQJINWQORMICN-UHFFFAOYSA-N 0 0 372.377 2.509 50 5 FFBARN O=C(CCC1CCCC1)Nc1cc(SC[C@@H](O)CO)cc([N+](=O)[O-])c1 ZINC000002765316 506290971 /nfs/dbraw/zinc/29/09/71/506290971.db2.gz UCFFGQHQRAPVFS-HNNXBMFYSA-N 0 0 368.455 2.949 50 5 FFBARN Cn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O ZINC000002802934 506294402 /nfs/dbraw/zinc/29/44/02/506294402.db2.gz SJKDHGNXWFCVNI-UHFFFAOYSA-N 0 0 370.390 2.573 50 5 FFBARN CCCCN1C=C(C(=O)OC)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OC)=C1 ZINC000002838788 506297106 /nfs/dbraw/zinc/29/71/06/506297106.db2.gz SVVCRNKJVMHPSI-UHFFFAOYSA-N 0 0 374.393 2.908 50 5 FFBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])OCC(=O)Nc1ccc(Cl)cn1 ZINC000003424439 506329350 /nfs/dbraw/zinc/32/93/50/506329350.db2.gz QOTQDSKVVFEEAF-VMPITWQZSA-N 0 0 361.741 2.838 50 5 FFBARN NC(=O)c1ccc(SCC(=O)Nc2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000003435595 506331221 /nfs/dbraw/zinc/33/12/21/506331221.db2.gz YDEBAAWSMOQLKP-UHFFFAOYSA-N 0 0 367.333 2.703 50 5 FFBARN O=[N+]([O-])c1ccc2c(cnn2CN2CCN(c3ccc(F)cc3)CC2)c1 ZINC000033428398 506356982 /nfs/dbraw/zinc/35/69/82/506356982.db2.gz CCAKXINZMUZYCU-UHFFFAOYSA-N 0 0 355.373 2.863 50 5 FFBARN O=C(CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCC(=O)c1ccccc1 ZINC000004247161 506366611 /nfs/dbraw/zinc/36/66/11/506366611.db2.gz YYLHWOTWHGCOPH-UHFFFAOYSA-N 0 0 373.321 2.731 50 5 FFBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nncn1-c1cccnc1 ZINC000004321375 506371071 /nfs/dbraw/zinc/37/10/71/506371071.db2.gz JKHGBWWMUJKHOJ-UHFFFAOYSA-N 0 0 370.394 2.610 50 5 FFBARN CCOC(=O)c1sc(C)c2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)NC2=O ZINC000004311479 506371990 /nfs/dbraw/zinc/37/19/90/506371990.db2.gz JEOXTFPYSBFBER-CQSZACIVSA-N 0 0 361.379 2.996 50 5 FFBARN Cc1ccc(C2=N/C(=C\c3ccc4c(c3)OCO4)C(=O)O2)cc1[N+](=O)[O-] ZINC000004460212 506376784 /nfs/dbraw/zinc/37/67/84/506376784.db2.gz AKRIRJPUWPOVEW-MLPAPPSSSA-N 0 0 352.302 2.976 50 5 FFBARN COc1ccc(CNc2cc(NCCCO)c([N+](=O)[O-])c3nonc32)cc1 ZINC000004716626 506390498 /nfs/dbraw/zinc/39/04/98/506390498.db2.gz LFGXDIMWLNGKAW-UHFFFAOYSA-N 0 0 373.369 2.546 50 5 FFBARN COc1cc(CN2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])cc1OC ZINC000004977823 506411026 /nfs/dbraw/zinc/41/10/26/506411026.db2.gz GERMEDWQKFHKOX-UHFFFAOYSA-N 0 0 371.437 2.930 50 5 FFBARN C[C@H]1CCCN(c2nc(NCCc3ccccc3)nc(N)c2[N+](=O)[O-])C1 ZINC000005159032 506425530 /nfs/dbraw/zinc/42/55/30/506425530.db2.gz YAPPHPYDVHGGIW-ZDUSSCGKSA-N 0 0 356.430 2.858 50 5 FFBARN COc1ccc(C(=O)Nc2cc3cccc([N+](=O)[O-])c3oc2=O)cc1OC ZINC000005185574 506427015 /nfs/dbraw/zinc/42/70/15/506427015.db2.gz YOVDQMCHGBFVMD-UHFFFAOYSA-N 0 0 370.317 2.971 50 5 FFBARN COc1ccc(C(=O)N(C)Cc2nc(-c3ccccc3)no2)cc1[N+](=O)[O-] ZINC000005421959 506441282 /nfs/dbraw/zinc/44/12/82/506441282.db2.gz CAIDVELXUCUCEE-UHFFFAOYSA-N 0 0 368.349 2.926 50 5 FFBARN COCCCn1ccc2nc3ccn(-c4ccccc4)c(=O)c3cc2c1=O ZINC000038828988 506445807 /nfs/dbraw/zinc/44/58/07/506445807.db2.gz LHRYFXBJAIEASI-UHFFFAOYSA-N 0 0 361.401 2.737 50 5 FFBARN O=C(COC(=O)c1ccc(Br)o1)Nc1cccc([N+](=O)[O-])c1 ZINC000005560680 506447542 /nfs/dbraw/zinc/44/75/42/506447542.db2.gz CMYKTTSPKKGVKV-UHFFFAOYSA-N 0 0 369.127 2.746 50 5 FFBARN COc1ccc(NC(=O)[C@@H](C)N(C)Cc2cnc(C)s2)c([N+](=O)[O-])c1 ZINC000040154605 506475728 /nfs/dbraw/zinc/47/57/28/506475728.db2.gz FTPZBIMUHYWMCP-SNVBAGLBSA-N 0 0 364.427 2.827 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1ccc2c(c1)OCCO2 ZINC000007221820 506545130 /nfs/dbraw/zinc/54/51/30/506545130.db2.gz KYKXLVUQUPWTQM-LLVKDONJSA-N 0 0 373.365 2.814 50 5 FFBARN O=C(/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2)Nc1ccc2c(c1)OCCO2 ZINC000008060152 506618716 /nfs/dbraw/zinc/61/87/16/506618716.db2.gz WCBDYXYAFCFUMW-DAFODLJHSA-N 0 0 370.317 2.747 50 5 FFBARN CC(C)n1ncc2cc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cnc21 ZINC000008881845 506672880 /nfs/dbraw/zinc/67/28/80/506672880.db2.gz FURMRXHZWPZPCJ-UHFFFAOYSA-N 0 0 355.354 2.938 50 5 FFBARN COC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000008936797 506674491 /nfs/dbraw/zinc/67/44/91/506674491.db2.gz VXEUZWVDNQJTTK-QGZVFWFLSA-N 0 0 354.362 2.643 50 5 FFBARN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCN(c2nccs2)CC1 ZINC000010269852 506736213 /nfs/dbraw/zinc/73/62/13/506736213.db2.gz NOULRFWMBZSGBY-UHFFFAOYSA-N 0 0 352.803 2.667 50 5 FFBARN COc1ccc(C(=O)OCc2cc(=O)oc3cc(O)ccc23)cc1[N+](=O)[O-] ZINC000011342042 506772498 /nfs/dbraw/zinc/77/24/98/506772498.db2.gz UQAMRAVMWKONQL-UHFFFAOYSA-N 0 0 371.301 2.772 50 5 FFBARN Cn1ncc2c1ncnc2SCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000011678619 506787783 /nfs/dbraw/zinc/78/77/83/506787783.db2.gz GNLSXBJDDPCSDM-UHFFFAOYSA-N 0 0 369.366 2.614 50 5 FFBARN CNc1ccc([N+](=O)[O-])cc1C(=O)OCc1nc(N)c2ccccc2n1 ZINC000012633914 506887255 /nfs/dbraw/zinc/88/72/55/506887255.db2.gz WPXIJBWWZYRSOA-UHFFFAOYSA-N 0 0 353.338 2.519 50 5 FFBARN Cc1cccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccn3)C2)c1[N+](=O)[O-] ZINC000047237150 507289186 /nfs/dbraw/zinc/28/91/86/507289186.db2.gz CZCAGSJEPUJQBI-CQSZACIVSA-N 0 0 368.393 2.789 50 5 FFBARN COC(=O)c1n[nH]c2ccc(NC(=O)c3cc([N+](=O)[O-])c(C)s3)cc21 ZINC000025083739 507464922 /nfs/dbraw/zinc/46/49/22/507464922.db2.gz XCBJAJAPZFSIJQ-UHFFFAOYSA-N 0 0 360.351 2.880 50 5 FFBARN COc1cc(C(=O)OCc2nc(CC(C)C)no2)c([N+](=O)[O-])cc1OC ZINC000025247123 507479366 /nfs/dbraw/zinc/47/93/66/507479366.db2.gz OQLDPEQKGAZEFO-UHFFFAOYSA-N 0 0 365.342 2.551 50 5 FFBARN O=C(Nc1ccccc1)[C@H]1CCCN1c1ncc([N+](=O)[O-])c(NC2CC2)n1 ZINC000025494870 507504621 /nfs/dbraw/zinc/50/46/21/507504621.db2.gz UYQAETDAMSOBMQ-CQSZACIVSA-N 0 0 368.397 2.567 50 5 FFBARN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC[C@H]1Cc2ccccc2O1 ZINC000026865367 507615102 /nfs/dbraw/zinc/61/51/02/507615102.db2.gz QMZIAYCOHBBECT-GFCCVEGCSA-N 0 0 368.798 2.530 50 5 FFBARN CCn1nc(C)c([N+](=O)[O-])c1C(=O)NCc1ccc(Br)s1 ZINC000095462898 508186989 /nfs/dbraw/zinc/18/69/89/508186989.db2.gz ACQLDIRTVLLHLN-UHFFFAOYSA-N 0 0 373.232 2.874 50 5 FFBARN CN(C)C(=O)COc1ccc(NC(=O)/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000098006462 1013262892 /nfs/dbraw/zinc/26/28/92/1013262892.db2.gz SZBIECKSHXHRKS-GHXNOFRVSA-N 0 0 369.377 2.714 50 5 FFBARN CNC(=O)c1ccc(/C=C\C(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000098054511 1013387309 /nfs/dbraw/zinc/38/73/09/1013387309.db2.gz IGFVUJQTZMPSFZ-WTKPLQERSA-N 0 0 351.362 2.557 50 5 FFBARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)OCC(=O)NCCCc1ccccc1 ZINC000033546034 990395826 /nfs/dbraw/zinc/39/58/26/990395826.db2.gz VOEVSEUFGRBONX-QXMHVHEDSA-N 0 0 368.389 2.900 50 5 FFBARN CC1CCC(NC(=O)COC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000004219399 219556229 /nfs/dbraw/zinc/55/62/29/219556229.db2.gz LQPBEDHBXVUKCN-UHFFFAOYSA-N 0 0 366.439 2.925 50 5 FFBARN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CCCc2ccccc21 ZINC000007920511 219833928 /nfs/dbraw/zinc/83/39/28/219833928.db2.gz NTWRHRUGRLJIEB-QGZVFWFLSA-N 0 0 353.378 2.518 50 5 FFBARN O=C(NCCCc1ccccc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000012921294 220043521 /nfs/dbraw/zinc/04/35/21/220043521.db2.gz QCRXTCJAFWOBDI-UHFFFAOYSA-N 0 0 351.366 2.538 50 5 FFBARN COc1ccc(C(=O)N(Cc2ccc(C(N)=O)cc2)C2CC2)cc1[N+](=O)[O-] ZINC000013012886 220054024 /nfs/dbraw/zinc/05/40/24/220054024.db2.gz MSUPVCAFUBRCPO-UHFFFAOYSA-N 0 0 369.377 2.507 50 5 FFBARN C[C@H](NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1nncn1C ZINC000032933548 211576915 /nfs/dbraw/zinc/57/69/15/211576915.db2.gz AWESZJPDHWPJCV-LBPRGKRZSA-N 0 0 366.381 2.958 50 5 FFBARN O=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)c1ccc(F)c([N+](=O)[O-])c1 ZINC000032764918 211560404 /nfs/dbraw/zinc/56/04/04/211560404.db2.gz YREYYGKKLXUAQK-UHFFFAOYSA-N 0 0 371.324 2.635 50 5 FFBARN Cc1ccc(CN2C[C@H](C(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)cc1 ZINC000023243608 211382325 /nfs/dbraw/zinc/38/23/25/211382325.db2.gz ALQKEWFLDNANMJ-OAHLLOKOSA-N 0 0 353.378 2.890 50 5 FFBARN COc1ccc([C@@H]2OC(c3ccccc3[N+](=O)[O-])=NN2C(C)=O)cc1OC ZINC000020946050 211301208 /nfs/dbraw/zinc/30/12/08/211301208.db2.gz LZFTZWCPNNPEBE-SFHVURJKSA-N 0 0 371.349 2.851 50 5 FFBARN COc1ccc(C2=NN(C(C)=O)[C@H](c3ccccc3[N+](=O)[O-])O2)c(OC)c1 ZINC000021092057 211305811 /nfs/dbraw/zinc/30/58/11/211305811.db2.gz XEANMPLZOUVGIP-SFHVURJKSA-N 0 0 371.349 2.851 50 5 FFBARN COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccccc3[N+](=O)[O-])O2)cc1OC ZINC000021090618 211305671 /nfs/dbraw/zinc/30/56/71/211305671.db2.gz IRNITKCUEJOFPN-GOSISDBHSA-N 0 0 371.349 2.851 50 5 FFBARN Cn1ccnc1[C@@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000017590101 211185848 /nfs/dbraw/zinc/18/58/48/211185848.db2.gz OCEBNRBHZPEHHH-INIZCTEOSA-N 0 0 351.366 2.629 50 5 FFBARN O=C(NCc1ccc(CN2CCOCC2)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000018174776 211194558 /nfs/dbraw/zinc/19/45/58/211194558.db2.gz ZHHVBFFEHIVJHQ-UHFFFAOYSA-N 0 0 370.409 2.749 50 5 FFBARN CNS(=O)(=O)c1ccc(Sc2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000016737917 211168897 /nfs/dbraw/zinc/16/88/97/211168897.db2.gz VIYDCQXMNFBZPJ-UHFFFAOYSA-N 0 0 360.363 2.932 50 5 FFBARN O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000013723548 211054025 /nfs/dbraw/zinc/05/40/25/211054025.db2.gz SYZQGMJVPUYTFQ-AWEZNQCLSA-N 0 0 351.366 2.657 50 5 FFBARN CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000004868526 210572931 /nfs/dbraw/zinc/57/29/31/210572931.db2.gz DCDJTLSHNPCSEX-NSHDSACASA-N 0 0 371.349 2.564 50 5 FFBARN O=[N+]([O-])c1ccc2c(c1)oc1ccc(S(=O)(=O)N3CCOCC3)cc12 ZINC000003624914 210489565 /nfs/dbraw/zinc/48/95/65/210489565.db2.gz ITVNBKVOCBYPLF-UHFFFAOYSA-N 0 0 362.363 2.515 50 5 FFBARN COc1ccc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc1[N+](=O)[O-] ZINC000002323854 210392316 /nfs/dbraw/zinc/39/23/16/210392316.db2.gz UEXONJDKALGVEA-QPEQYQDCSA-N 0 0 369.289 2.856 50 5 FFBARN Cn1c2ccccc2c2c(c1=O)[C@@H](c1ccc([N+](=O)[O-])cc1)CC(=O)O2 ZINC000001427904 210351539 /nfs/dbraw/zinc/35/15/39/210351539.db2.gz JOACQBGALQTWTC-CQSZACIVSA-N 0 0 350.330 2.888 50 5 FFBARN O=C(Cc1ccccc1)NC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000001037010 210305036 /nfs/dbraw/zinc/30/50/36/210305036.db2.gz PBNPNYJGZXQBGK-UHFFFAOYSA-N 0 0 367.405 2.558 50 5 FFBARN Cc1nc2ccc(Cl)cn2c(=O)c1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000009616966 210289874 /nfs/dbraw/zinc/28/98/74/210289874.db2.gz MFYNNWYZHRSRAS-UHFFFAOYSA-N 0 0 358.741 2.817 50 5 FFBARN O=[N+]([O-])c1cccc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000000865188 210282508 /nfs/dbraw/zinc/28/25/08/210282508.db2.gz IMEHRNXVSBPIER-UHFFFAOYSA-N 0 0 355.394 2.641 50 5 FFBARN Cc1nc(SCCOc2ccccc2[N+](=O)[O-])sc1CC(N)=O ZINC000053664876 221046767 /nfs/dbraw/zinc/04/67/67/221046767.db2.gz MNKYMIPWKUWBQO-UHFFFAOYSA-N 0 0 353.425 2.559 50 5 FFBARN O=C(Cn1cc(Br)c([N+](=O)[O-])n1)NCc1cccc(Cl)c1 ZINC000054919795 221056546 /nfs/dbraw/zinc/05/65/46/221056546.db2.gz NITYHLDNHGEKKW-UHFFFAOYSA-N 0 0 373.594 2.524 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000065553178 221234005 /nfs/dbraw/zinc/23/40/05/221234005.db2.gz IEDSBHSMBXQIOU-CYBMUJFWSA-N 0 0 373.365 2.907 50 5 FFBARN COc1ccc(CNC(=O)c2c[nH]nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000072329378 221467916 /nfs/dbraw/zinc/46/79/16/221467916.db2.gz ZNAAGOBLAGPQOO-UHFFFAOYSA-N 0 0 352.350 2.924 50 5 FFBARN Cc1c(C(=O)N2CCN(c3ccccc3)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000002729427 132383974 /nfs/dbraw/zinc/38/39/74/132383974.db2.gz KFBGGOOJRQXRIP-UHFFFAOYSA-N 0 0 370.365 2.774 50 5 FFBARN NC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 ZINC000014830416 132875183 /nfs/dbraw/zinc/87/51/83/132875183.db2.gz PEBFWKXLOQDJDX-UHFFFAOYSA-N 0 0 368.393 2.936 50 5 FFBARN O=C(NCc1ccccn1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12 ZINC000035870205 132937560 /nfs/dbraw/zinc/93/75/60/132937560.db2.gz CITKAHJLPPLHFL-IEBWSBKVSA-N 0 0 366.421 2.837 50 5 FFBARN CCCCC(=O)NC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)OC)CC1 ZINC000048309823 136123351 /nfs/dbraw/zinc/12/33/51/136123351.db2.gz CSCCKEDREIOLET-UHFFFAOYSA-N 0 0 363.414 2.657 50 5 FFBARN Cc1cccc2c1N(C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)CCC2 ZINC000058168819 136130702 /nfs/dbraw/zinc/13/07/02/136130702.db2.gz JNGWWMBJSLLZSW-UHFFFAOYSA-N 0 0 374.418 2.900 50 5 FFBARN Cc1c([C@@H](C)NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cnn1C ZINC000024999754 136153152 /nfs/dbraw/zinc/15/31/52/136153152.db2.gz NGQCDJGVQSEARP-CYBMUJFWSA-N 0 0 371.441 2.731 50 5 FFBARN O=C(CCc1ccccc1)NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000096275565 222108476 /nfs/dbraw/zinc/10/84/76/222108476.db2.gz XKPJYCVZHCIGKR-UHFFFAOYSA-N 0 0 352.350 2.894 50 5 FFBARN COc1cc2s/c(=N\C(=O)c3ccc([N+](=O)[O-])cc3)n(C)c2cc1OC ZINC000101035528 222261168 /nfs/dbraw/zinc/26/11/68/222261168.db2.gz LBKALIQCNUKZKX-ZCXUNETKSA-N 0 0 373.390 2.906 50 5 FFBARN O=c1c2c(nc3c4ccccc4c(NCCO)nn13)sc1c2CCCC1 ZINC000002679227 506288186 /nfs/dbraw/zinc/28/81/86/506288186.db2.gz ONGPFQBAWCTHGQ-UHFFFAOYSA-N 0 0 366.446 2.740 50 5 FFBARN COC(=O)C1=CN(C(C)(C)C)C=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1 ZINC000002881124 506299764 /nfs/dbraw/zinc/29/97/64/506299764.db2.gz UYLKABNEVSLAIS-UHFFFAOYSA-N 0 0 374.393 2.906 50 5 FFBARN COCCOc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1C ZINC000032831054 506302166 /nfs/dbraw/zinc/30/21/66/506302166.db2.gz OQOLNRBXWNXOIZ-UHFFFAOYSA-N 0 0 366.395 2.729 50 5 FFBARN COc1ccc(C2=N/C(=C/c3ccccc3[N+](=O)[O-])C(=O)O2)cc1OC ZINC000002945176 506303932 /nfs/dbraw/zinc/30/39/32/506303932.db2.gz LIPJMCNQQZNHFI-UKTHLTGXSA-N 0 0 354.318 2.957 50 5 FFBARN COCCOC(=O)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=O ZINC000003128845 506310605 /nfs/dbraw/zinc/31/06/05/506310605.db2.gz AWYTWJUMNFGOMD-UHFFFAOYSA-N 0 0 372.289 2.518 50 5 FFBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1nnc(-c2cccnc2)s1 ZINC000003189658 506312814 /nfs/dbraw/zinc/31/28/14/506312814.db2.gz YXWWZGQJHLAJGY-UHFFFAOYSA-N 0 0 357.351 2.526 50 5 FFBARN CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1cccc([N+](=O)[O-])c1 ZINC000003313461 506319708 /nfs/dbraw/zinc/31/97/08/506319708.db2.gz WPFUDRZNHMQJEW-UHFFFAOYSA-N 0 0 374.349 2.756 50 5 FFBARN CCOC(=O)c1ccccc1NC(=O)COC(=O)c1cccc([N+](=O)[O-])c1 ZINC000003300605 506320797 /nfs/dbraw/zinc/32/07/97/506320797.db2.gz KSFGCTMUSNCUDQ-UHFFFAOYSA-N 0 0 372.333 2.567 50 5 FFBARN CCOc1ccc(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000003482902 506335138 /nfs/dbraw/zinc/33/51/38/506335138.db2.gz REJRWELSUDZSFR-UHFFFAOYSA-N 0 0 357.366 2.752 50 5 FFBARN O=C(COc1ccc2ccc(=O)oc2c1)Nc1cc([N+](=O)[O-])ccc1F ZINC000003598912 506346791 /nfs/dbraw/zinc/34/67/91/506346791.db2.gz CTGSGATXDNZYKU-UHFFFAOYSA-N 0 0 358.281 2.858 50 5 FFBARN CCCCOC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000003907120 506353744 /nfs/dbraw/zinc/35/37/44/506353744.db2.gz UERDQUGJKKYWFK-OAHLLOKOSA-N 0 0 357.370 2.819 50 5 FFBARN O=C1C(Cl)=C(Oc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1 ZINC000004043313 506354529 /nfs/dbraw/zinc/35/45/29/506354529.db2.gz JBAQOXOOZVNVQZ-UHFFFAOYSA-N 0 0 358.737 2.993 50 5 FFBARN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cc1 ZINC000004188640 506364669 /nfs/dbraw/zinc/36/46/69/506364669.db2.gz DCAJIQOBDLQMJU-XNTDXEJSSA-N 0 0 373.434 2.718 50 5 FFBARN CN1CCN(c2c3ccccc3n(-c3ccccc3)c(=O)c2[N+](=O)[O-])CC1 ZINC000004263727 506367736 /nfs/dbraw/zinc/36/77/36/506367736.db2.gz IVPOUSHRTVIOIG-UHFFFAOYSA-N 0 0 364.405 2.651 50 5 FFBARN O=C1NCCCC[C@H]1Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000004306703 506369432 /nfs/dbraw/zinc/36/94/32/506369432.db2.gz HHYZNTQFJBNUSS-MRVPVSSYSA-N 0 0 362.264 2.602 50 5 FFBARN CC(C)(C)C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCC3)c2)CC1 ZINC000004676002 506386224 /nfs/dbraw/zinc/38/62/24/506386224.db2.gz PASZSDQGEOLWDO-UHFFFAOYSA-N 0 0 360.458 2.890 50 5 FFBARN Cc1ccn(-c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)n1 ZINC000004697951 506387443 /nfs/dbraw/zinc/38/74/43/506387443.db2.gz OOEBNMJGVIVEST-UHFFFAOYSA-N 0 0 358.379 2.890 50 5 FFBARN O=C(c1ccc([N+](=O)[O-])cc1)N1NC2=C(CCCC2)[C@@]1(O)C(F)(F)F ZINC000004725161 506392171 /nfs/dbraw/zinc/39/21/71/506392171.db2.gz KVXMFALNGFOCRG-SMDDNHRTSA-N 0 0 357.288 2.848 50 5 FFBARN CCCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000004784085 506395668 /nfs/dbraw/zinc/39/56/68/506395668.db2.gz OLYNLAYELGMKLU-UHFFFAOYSA-N 0 0 363.395 2.535 50 5 FFBARN Cc1ccc(OCCNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000004833807 506397344 /nfs/dbraw/zinc/39/73/44/506397344.db2.gz JDAVQUCJHNRYRL-UHFFFAOYSA-N 0 0 350.396 2.569 50 5 FFBARN Cc1ccc(C(=O)Nc2cc3c4c(c2)CCCN4C(=O)C3)cc1[N+](=O)[O-] ZINC000004850544 506398524 /nfs/dbraw/zinc/39/85/24/506398524.db2.gz YLPDSFJAVQPDSK-UHFFFAOYSA-N 0 0 351.362 2.991 50 5 FFBARN COc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 ZINC000004895963 506402302 /nfs/dbraw/zinc/40/23/02/506402302.db2.gz WLKWQUASIVBDJL-UHFFFAOYSA-N 0 0 357.366 2.692 50 5 FFBARN Cc1noc(C)c1CN1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000036391118 506403813 /nfs/dbraw/zinc/40/38/13/506403813.db2.gz SPJJEOXAEWHOMA-UHFFFAOYSA-N 0 0 359.386 2.549 50 5 FFBARN Nc1nc(NC[C@@H]2CCCO2)nc(Nc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000005094198 506420226 /nfs/dbraw/zinc/42/02/26/506420226.db2.gz AADOHPJLNNJGGG-NSHDSACASA-N 0 0 364.793 2.955 50 5 FFBARN COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1N1CCCC1=O ZINC000005440202 506442931 /nfs/dbraw/zinc/44/29/31/506442931.db2.gz HNYARAYKWGECMW-UHFFFAOYSA-N 0 0 355.350 2.983 50 5 FFBARN Cc1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000039570109 506454186 /nfs/dbraw/zinc/45/41/86/506454186.db2.gz NWGVNCFBYBQROE-LJQANCHMSA-N 0 0 367.361 2.553 50 5 FFBARN O=C(COC(=O)c1ccc(O)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000005700405 506454742 /nfs/dbraw/zinc/45/47/42/506454742.db2.gz RKVGAZLKNCMQPC-UHFFFAOYSA-N 0 0 350.714 2.749 50 5 FFBARN C[C@@H](OC(=O)c1n[nH]c2ccccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000039588712 506455038 /nfs/dbraw/zinc/45/50/38/506455038.db2.gz ORFABDSRIZOZMU-SNVBAGLBSA-N 0 0 354.322 2.655 50 5 FFBARN O=C(CCOc1cccc(F)c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000040069585 506463514 /nfs/dbraw/zinc/46/35/14/506463514.db2.gz HGRCGIWBHBBONY-UHFFFAOYSA-N 0 0 373.384 2.852 50 5 FFBARN O=C(CSc1nc2ccccc2c(=O)[nH]1)Nc1ccc([N+](=O)[O-])cc1 ZINC000006566738 506488820 /nfs/dbraw/zinc/48/88/20/506488820.db2.gz AWJCKSUTABKWJM-UHFFFAOYSA-N 0 0 356.363 2.562 50 5 FFBARN COc1ccc(O[C@@H](C(=O)N2CCOCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000006846904 506511636 /nfs/dbraw/zinc/51/16/36/506511636.db2.gz JOULWPZMCBMWMR-GOSISDBHSA-N 0 0 372.377 2.582 50 5 FFBARN CSc1ccc(C(=O)NCCCOC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000009155406 506683073 /nfs/dbraw/zinc/68/30/73/506683073.db2.gz QYISAXJKOXWTFJ-CYBMUJFWSA-N 0 0 354.428 2.632 50 5 FFBARN O=C(NC[C@H]1COc2ccccc2O1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000009157456 506684991 /nfs/dbraw/zinc/68/49/91/506684991.db2.gz SGXRGNSCMFLZOV-AWEZNQCLSA-N 0 0 369.377 2.739 50 5 FFBARN O=C(COc1ccccc1[N+](=O)[O-])NCCc1cnn(-c2ccccc2)c1 ZINC000011147199 506766172 /nfs/dbraw/zinc/76/61/72/506766172.db2.gz JGYUXKUOGRRLTF-UHFFFAOYSA-N 0 0 366.377 2.518 50 5 FFBARN CCOC(=O)[C@@H]1CCCCN1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000055543128 506773938 /nfs/dbraw/zinc/77/39/38/506773938.db2.gz GBYDFWQXQSDEBU-ZDUSSCGKSA-N 0 0 352.387 2.530 50 5 FFBARN O=[N+]([O-])c1ccc2c(c1)[C@@H](N1CCOCC1)/C(=C\C1(O)CCCCC1)O2 ZINC000012375206 506856127 /nfs/dbraw/zinc/85/61/27/506856127.db2.gz NTHQPAPZADRELK-VJSYINPZSA-N 0 0 360.410 2.940 50 5 FFBARN CN(C[C@@H]1COc2ccccc2O1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000012553004 506877942 /nfs/dbraw/zinc/87/79/42/506877942.db2.gz AMYPGSFCIIQSPQ-CQSZACIVSA-N 0 0 371.393 2.695 50 5 FFBARN O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1cccc([N+](=O)[O-])c1 ZINC000012774373 506900369 /nfs/dbraw/zinc/90/03/69/506900369.db2.gz MNXLCVOQOWVICQ-UHFFFAOYSA-N 0 0 366.377 2.950 50 5 FFBARN CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000012982194 506921543 /nfs/dbraw/zinc/92/15/43/506921543.db2.gz QYMJBYPKMMIAOA-UHFFFAOYSA-N 0 0 353.378 2.759 50 5 FFBARN CN(C)C(=O)[C@H](c1ccccc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000015443448 507041469 /nfs/dbraw/zinc/04/14/69/507041469.db2.gz SMMWNBRJYFVAAX-IBGZPJMESA-N 0 0 368.437 2.546 50 5 FFBARN Cc1cccc(C)c1OC[C@H](O)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000046060868 507071409 /nfs/dbraw/zinc/07/14/09/507071409.db2.gz PRANBZVFYFNJMY-QGZVFWFLSA-N 0 0 368.393 2.910 50 5 FFBARN CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2CN1c1ncccc1[N+](=O)[O-] ZINC000020386069 507220150 /nfs/dbraw/zinc/22/01/50/507220150.db2.gz HCVVKYGIOCDOEX-INIZCTEOSA-N 0 0 354.410 2.836 50 5 FFBARN CC(C)COC(=O)N1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000057265191 507222093 /nfs/dbraw/zinc/22/20/93/507222093.db2.gz DRRUPLIWHFTORQ-UHFFFAOYSA-N 0 0 364.402 2.927 50 5 FFBARN CS(=O)(=O)c1cc(C(=O)N2CCCCc3ccccc32)cc([N+](=O)[O-])c1 ZINC000058167426 507378735 /nfs/dbraw/zinc/37/87/35/507378735.db2.gz XZUALSUQILUZFO-UHFFFAOYSA-N 0 0 374.418 2.981 50 5 FFBARN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)NC(=O)CO2 ZINC000024180206 507396332 /nfs/dbraw/zinc/39/63/32/507396332.db2.gz UMUWHMWURIHUQE-UHFFFAOYSA-N 0 0 370.365 2.757 50 5 FFBARN CN(C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000026765241 507607695 /nfs/dbraw/zinc/60/76/95/507607695.db2.gz NDRBRSJOBTWZPW-UHFFFAOYSA-N 0 0 355.350 2.946 50 5 FFBARN O=C(COc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1)N1CCCC1 ZINC000027447671 507656715 /nfs/dbraw/zinc/65/67/15/507656715.db2.gz CQRFMQKHELUOMV-UHFFFAOYSA-N 0 0 369.377 2.848 50 5 FFBARN Cc1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)cc1[N+](=O)[O-] ZINC000028700169 507738827 /nfs/dbraw/zinc/73/88/27/507738827.db2.gz DSVCFPHQSQULDB-UHFFFAOYSA-N 0 0 364.361 2.761 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC000031209935 507818124 /nfs/dbraw/zinc/81/81/24/507818124.db2.gz JCOUSCJNTRCYBF-UHFFFAOYSA-N 0 0 372.377 2.819 50 5 FFBARN COc1ccc(C)cc1[C@@]1(C)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000089616389 507850904 /nfs/dbraw/zinc/85/09/04/507850904.db2.gz LFZCJNJSMRCYGR-LJQANCHMSA-N 0 0 369.377 2.879 50 5 FFBARN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(N(C)C)n1 ZINC000089478867 525990229 /nfs/dbraw/zinc/99/02/29/525990229.db2.gz FNVWTCMPGXCNOR-GFCCVEGCSA-N 0 0 360.439 2.853 50 5 FFBARN O=[N+]([O-])c1ccccc1CCS(=O)(=O)NCCCOC1CCCCC1 ZINC000089813906 527399321 /nfs/dbraw/zinc/39/93/21/527399321.db2.gz GAPWMFATWSVSTO-UHFFFAOYSA-N 0 0 370.471 2.796 50 5 FFBARN Cc1cccc(C(=O)NCCCN(C)C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000048012816 570934173 /nfs/dbraw/zinc/93/41/73/570934173.db2.gz KNCDMKCGUGSKQV-UHFFFAOYSA-N 0 0 351.403 2.890 50 5 FFBARN O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCSCC1 ZINC000049213807 570961409 /nfs/dbraw/zinc/96/14/09/570961409.db2.gz BQGPBOVSDSHBRR-UHFFFAOYSA-N 0 0 350.318 2.725 50 5 FFBARN COCCN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C1CCCC1 ZINC000049656588 570964778 /nfs/dbraw/zinc/96/47/78/570964778.db2.gz FJOCOBWAERQPBY-UHFFFAOYSA-N 0 0 358.398 2.812 50 5 FFBARN C[C@H]1Oc2ccc(NC(=O)/C=C\c3ccccc3[N+](=O)[O-])cc2NC1=O ZINC000096912941 1012456532 /nfs/dbraw/zinc/45/65/32/1012456532.db2.gz ZGDNMUOFPATBPP-DHHDDZJSSA-N 0 0 353.334 2.966 50 5 FFBARN O=C(Oc1cc(=O)oc2c3cccc4c3n(c(=O)c12)CCC4)c1ccco1 ZINC000000642483 210256144 /nfs/dbraw/zinc/25/61/44/210256144.db2.gz APXCVYYABMPPAH-UHFFFAOYSA-N 0 0 363.325 2.866 50 5 FFBARN COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccccc2[N+](=O)[O-])c1C ZINC000012823375 220034830 /nfs/dbraw/zinc/03/48/30/220034830.db2.gz CWGNRTLCBCLREE-LLVKDONJSA-N 0 0 374.349 2.755 50 5 FFBARN Cc1nn(C)c(NC[C@H](O)COc2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000058244796 212000008 /nfs/dbraw/zinc/00/00/08/212000008.db2.gz UXPKNTZPGIBQKD-NSHDSACASA-N 0 0 374.319 2.507 50 5 FFBARN CNC(=O)c1ccc(CN(C(=O)c2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000013009264 220052824 /nfs/dbraw/zinc/05/28/24/220052824.db2.gz DDSNHAXCWLUPQM-UHFFFAOYSA-N 0 0 353.378 2.759 50 5 FFBARN C[C@]1(c2ccc(F)cc2)NC(=O)N(CCOc2ccccc2[N+](=O)[O-])C1=O ZINC000047354400 211852541 /nfs/dbraw/zinc/85/25/41/211852541.db2.gz XBVLTOJKLXIWIW-GOSISDBHSA-N 0 0 373.340 2.580 50 5 FFBARN COc1cc(CCNC(=O)Cc2ccsc2)c([N+](=O)[O-])cc1OC ZINC000032788444 211562487 /nfs/dbraw/zinc/56/24/87/211562487.db2.gz MSSGWUDZJNJFRW-UHFFFAOYSA-N 0 0 350.396 2.575 50 5 FFBARN CCCNC(=O)c1ccccc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000040080054 211484753 /nfs/dbraw/zinc/48/47/53/211484753.db2.gz PMSKHFGZPWRPMI-UHFFFAOYSA-N 0 0 367.365 2.863 50 5 FFBARN Cc1nc(-c2ccc3c(c2)CCN3C(=O)Cn2cnc([N+](=O)[O-])c2)cs1 ZINC000025586724 211432688 /nfs/dbraw/zinc/43/26/88/211432688.db2.gz UMTOAWQGECEDSB-UHFFFAOYSA-N 0 0 369.406 2.813 50 5 FFBARN Cc1ccc(S(C)(=O)=O)cc1C(=O)N(C)Cc1cccc([N+](=O)[O-])c1 ZINC000025253406 211426278 /nfs/dbraw/zinc/42/62/78/211426278.db2.gz XPWDLMBDPOZPHL-UHFFFAOYSA-N 0 0 362.407 2.579 50 5 FFBARN CC(=O)N1N=C(c2ccccc2[N+](=O)[O-])O[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000020946046 211301761 /nfs/dbraw/zinc/30/17/61/211301761.db2.gz FJZQDWPVUZEAMP-INIZCTEOSA-N 0 0 356.294 2.742 50 5 FFBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCNC(=O)c1ccccc1 ZINC000015178974 211123294 /nfs/dbraw/zinc/12/32/94/211123294.db2.gz RMTCALJDOSLXRR-CQSZACIVSA-N 0 0 355.394 2.934 50 5 FFBARN Cc1ccc2[nH]cc(CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)c2c1 ZINC000013957969 211066222 /nfs/dbraw/zinc/06/62/22/211066222.db2.gz RUHMPZBKMXRPCC-UHFFFAOYSA-N 0 0 359.407 2.906 50 5 FFBARN CC(=O)Nc1cccc([C@@H](C)NC(=O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000036394720 210844915 /nfs/dbraw/zinc/84/49/15/210844915.db2.gz SGKYTNRJWXQZOV-GFCCVEGCSA-N 0 0 357.366 2.809 50 5 FFBARN Cc1ccc(NC(=O)Cn2nnc(-c3ccccc3C)n2)c([N+](=O)[O-])c1 ZINC000006204031 210660997 /nfs/dbraw/zinc/66/09/97/210660997.db2.gz IMBMAYHKTUGIFW-UHFFFAOYSA-N 0 0 352.354 2.504 50 5 FFBARN CCOC(=O)C(CCCCOc1ccc([N+](=O)[O-])cc1)C(=O)OCC ZINC000004949197 210584640 /nfs/dbraw/zinc/58/46/40/210584640.db2.gz AYBNPPBJLWEEST-UHFFFAOYSA-N 0 0 353.371 2.886 50 5 FFBARN CCOC(=O)N1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000003218168 210456127 /nfs/dbraw/zinc/45/61/27/210456127.db2.gz BZYYNSOYBBNVCY-UHFFFAOYSA-N 0 0 363.395 2.724 50 5 FFBARN CC(=O)c1c(C)[nH]c(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)c1C ZINC000002662314 210413408 /nfs/dbraw/zinc/41/34/08/210413408.db2.gz DFJOOIOQXCPGHT-UHFFFAOYSA-N 0 0 374.349 2.966 50 5 FFBARN O=C(NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccco1 ZINC000002053680 210377832 /nfs/dbraw/zinc/37/78/32/210377832.db2.gz PPLSVHYXTYKKLO-UHFFFAOYSA-N 0 0 374.403 2.860 50 5 FFBARN COc1cc(NC(=O)c2ccccc2CC[N+](=O)[O-])cc(OC)c1OC ZINC000001398077 210348986 /nfs/dbraw/zinc/34/89/86/210348986.db2.gz DGFHMBHIUVSPAE-UHFFFAOYSA-N 0 0 360.366 2.784 50 5 FFBARN COc1ccc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1[N+](=O)[O-] ZINC000001132648 210323281 /nfs/dbraw/zinc/32/32/81/210323281.db2.gz RVSCHHNDABYDDR-RIYZIHGNSA-N 0 0 371.324 2.835 50 5 FFBARN CCCn1c(CC)nc([N+](=O)[O-])c1S(=O)(=O)c1ccc(Cl)cn1 ZINC000000987851 210299064 /nfs/dbraw/zinc/29/90/64/210299064.db2.gz QAQLCRLGFZHETL-UHFFFAOYSA-N 0 0 358.807 2.645 50 5 FFBARN COC(=O)c1ccccc1NC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000940111 210292402 /nfs/dbraw/zinc/29/24/02/210292402.db2.gz POKQCBYBVPHYAI-UHFFFAOYSA-N 0 0 359.363 2.508 50 5 FFBARN O=[N+]([O-])c1ccc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000000865246 210283021 /nfs/dbraw/zinc/28/30/21/210283021.db2.gz YBVYBXITRCVUEC-UHFFFAOYSA-N 0 0 355.394 2.641 50 5 FFBARN CCn1c(=O)c([N+](=O)[O-])c(N(CCO)Cc2ccccc2)c2ccccc21 ZINC000009328459 210271273 /nfs/dbraw/zinc/27/12/73/210271273.db2.gz UPNHJRPUWUGIOE-UHFFFAOYSA-N 0 0 367.405 2.929 50 5 FFBARN Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)N(C)Cc1ccccc1 ZINC000000797418 210272649 /nfs/dbraw/zinc/27/26/49/210272649.db2.gz NKOIZMNRAAQGDI-UHFFFAOYSA-N 0 0 367.203 2.521 50 5 FFBARN O=[N+]([O-])c1c(Cl)c([N+](=O)[O-])c(N2CCOCC2)c([N+](=O)[O-])c1Cl ZINC000101496891 132234020 /nfs/dbraw/zinc/23/40/20/132234020.db2.gz XZSXBQUQXKNELM-UHFFFAOYSA-N 0 0 367.101 2.555 50 5 FFBARN COc1ccc(OCCNc2cc(N3CCOCC3)ccc2[N+](=O)[O-])cc1 ZINC000004117155 132386422 /nfs/dbraw/zinc/38/64/22/132386422.db2.gz YYYJTRHICSBNKZ-UHFFFAOYSA-N 0 0 373.409 2.931 50 5 FFBARN CC(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccccc3)c2)CC1 ZINC000004104330 132386438 /nfs/dbraw/zinc/38/64/38/132386438.db2.gz PEVJOWTYIDYLMT-UHFFFAOYSA-N 0 0 354.410 2.875 50 5 FFBARN Cc1nc(N2CCN(c3ccccc3)CC2)nc(N2CCCC2)c1[N+](=O)[O-] ZINC000038488494 136118814 /nfs/dbraw/zinc/11/88/14/136118814.db2.gz ZZPJRJRCGGAYKS-UHFFFAOYSA-N 0 0 368.441 2.620 50 5 FFBARN Cc1cc(C)n(C[C@@H]2CC(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)n1 ZINC000100932502 222257503 /nfs/dbraw/zinc/25/75/03/222257503.db2.gz TYVWYKYIURXAQM-NSHDSACASA-N 0 0 362.773 2.641 50 5 FFBARN CC(C)(CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)N1CCOCC1 ZINC000032674434 506277042 /nfs/dbraw/zinc/27/70/42/506277042.db2.gz QNMFFVFQWKZAKB-UHFFFAOYSA-N 0 0 363.439 2.650 50 5 FFBARN O=C(NC1CCN(C(=O)C2CCCCC2)CC1)c1csc([N+](=O)[O-])c1 ZINC000052992368 506293101 /nfs/dbraw/zinc/29/31/01/506293101.db2.gz FJDBPTJPVDPOIG-UHFFFAOYSA-N 0 0 365.455 2.957 50 5 FFBARN O=C(Nc1ccc2ccccc2c1)c1ccn(Cn2cc([N+](=O)[O-])cn2)n1 ZINC000002796665 506293412 /nfs/dbraw/zinc/29/34/12/506293412.db2.gz YPTXYJGZQXSTEU-UHFFFAOYSA-N 0 0 362.349 2.899 50 5 FFBARN Cc1sc(C(=O)NCCN2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000032827678 506300614 /nfs/dbraw/zinc/30/06/14/506300614.db2.gz XCXRLKXUKXVWHK-UHFFFAOYSA-N 0 0 374.466 2.517 50 5 FFBARN CSc1ncccc1C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000003331751 506322257 /nfs/dbraw/zinc/32/22/57/506322257.db2.gz RZQMUKHNZXEGJU-UHFFFAOYSA-N 0 0 362.363 2.935 50 5 FFBARN O=[N+]([O-])c1ccc(-n2ncc3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000033353949 506357262 /nfs/dbraw/zinc/35/72/62/506357262.db2.gz URDVCOUTNQZQSO-UHFFFAOYSA-N 0 0 374.225 2.658 50 5 FFBARN COc1ccccc1OCCNc1cc(N2CCOCC2)ccc1[N+](=O)[O-] ZINC000004455744 506375655 /nfs/dbraw/zinc/37/56/55/506375655.db2.gz FIZFQRGELLVZCI-UHFFFAOYSA-N 0 0 373.409 2.931 50 5 FFBARN Cc1ccc(N2C[C@H](NC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)CC2=O)cc1 ZINC000004497009 506377773 /nfs/dbraw/zinc/37/77/73/506377773.db2.gz WXKGCSRIFSGNBH-BDJZEXMMSA-N 0 0 365.389 2.838 50 5 FFBARN O=[N+]([O-])c1cc(N[C@@H]2C[C@@H](O)[C@H](O)CO2)cc(Sc2ccccc2)c1 ZINC000004571273 506383720 /nfs/dbraw/zinc/38/37/20/506383720.db2.gz AQFSCHZBYWUHCK-ZACQAIPSSA-N 0 0 362.407 2.626 50 5 biogenic,in-vitro FFBARN O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000004732003 506390857 /nfs/dbraw/zinc/39/08/57/506390857.db2.gz YROVNUQGPJIEJV-JTQLQIEISA-N 0 0 361.304 2.865 50 5 FFBARN C[C@H](OC(=O)c1n[nH]c2ccccc21)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000004824124 506397604 /nfs/dbraw/zinc/39/76/04/506397604.db2.gz ZRLXKBZYHIGTPK-JTQLQIEISA-N 0 0 354.322 2.655 50 5 FFBARN CN1CCc2c(sc3c2C(=O)N[C@@H](/C=C\c2ccc([N+](=O)[O-])cc2)N3)C1 ZINC000004854423 506399374 /nfs/dbraw/zinc/39/93/74/506399374.db2.gz PXRUSSQOZFNDPD-IJVDHGTGSA-N 0 0 370.434 2.839 50 5 FFBARN CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000004905103 506403668 /nfs/dbraw/zinc/40/36/68/506403668.db2.gz PXSABICANOECNY-UHFFFAOYSA-N 0 0 370.409 2.506 50 5 FFBARN O=C(Nc1ccc(F)c(F)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000004902884 506404672 /nfs/dbraw/zinc/40/46/72/506404672.db2.gz VHAWCJOSSRCIPY-UHFFFAOYSA-N 0 0 363.320 2.962 50 5 FFBARN O=[N+]([O-])c1nn(-c2ccc(Cl)cc2)[n+]([O-])c1NCCc1ccccc1 ZINC000004922910 506406455 /nfs/dbraw/zinc/40/64/55/506406455.db2.gz WEJBIZTVGOIMQH-UHFFFAOYSA-N 0 0 359.773 2.722 50 5 FFBARN COc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000053666712 506423869 /nfs/dbraw/zinc/42/38/69/506423869.db2.gz SJSOACCGNLCIJQ-UHFFFAOYSA-N 0 0 369.421 2.604 50 5 FFBARN Cc1ccc(C(=O)Nc2cc3c4c(c2)CCC(=O)N4CC3)cc1[N+](=O)[O-] ZINC000005153388 506426176 /nfs/dbraw/zinc/42/61/76/506426176.db2.gz BLMMSRUAZOTNLF-UHFFFAOYSA-N 0 0 351.362 2.991 50 5 FFBARN CC(=O)N1N=C(c2c(C)nc3ccccn32)O[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000005646365 506453441 /nfs/dbraw/zinc/45/34/41/506453441.db2.gz BYEMPVFEQRWDEO-GOSISDBHSA-N 0 0 365.349 2.790 50 5 FFBARN COc1ccc(NC(=O)NC(=O)COc2cccc([N+](=O)[O-])c2C)cc1 ZINC000053837547 506454341 /nfs/dbraw/zinc/45/43/41/506454341.db2.gz FUZLIBFSXFRALB-UHFFFAOYSA-N 0 0 359.338 2.639 50 5 FFBARN COC(=O)c1ccc(CN(C)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000040072270 506463245 /nfs/dbraw/zinc/46/32/45/506463245.db2.gz LBJSOZCOBKNBRF-UHFFFAOYSA-N 0 0 368.349 2.530 50 5 FFBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC000040086801 506464718 /nfs/dbraw/zinc/46/47/18/506464718.db2.gz GXNPVLOUDSVYAF-UHFFFAOYSA-N 0 0 354.297 2.532 50 5 FFBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@@H]1CCCN(C(=O)N(C)C)C1 ZINC000040092173 506467266 /nfs/dbraw/zinc/46/72/66/506467266.db2.gz ZPVVOOIHZKMFJJ-DZGCQCFKSA-N 0 0 362.430 2.508 50 5 FFBARN O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccc(SC(F)F)cc1 ZINC000006120017 506467534 /nfs/dbraw/zinc/46/75/34/506467534.db2.gz ZDMCGHYXTAXHJZ-UHFFFAOYSA-N 0 0 355.322 2.710 50 5 FFBARN COc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1[N+](=O)[O-] ZINC000006762021 506503740 /nfs/dbraw/zinc/50/37/40/506503740.db2.gz YOKABJLXPBPGLZ-UHFFFAOYSA-N 0 0 361.379 2.505 50 5 FFBARN Cc1c(NCC(=O)N2CCN(c3ccc(F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000008745610 506665289 /nfs/dbraw/zinc/66/52/89/506665289.db2.gz SKVWHPKBGCFECJ-UHFFFAOYSA-N 0 0 372.400 2.803 50 5 FFBARN CC(C)(C)c1ccc(C(=O)OCC(=O)NC(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000009513810 506700937 /nfs/dbraw/zinc/70/09/37/506700937.db2.gz CYAHPEFWUCDKPV-UHFFFAOYSA-N 0 0 374.349 2.599 50 5 FFBARN Cc1cc(NC(=O)CN(C)C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)no1 ZINC000010031647 506723091 /nfs/dbraw/zinc/72/30/91/506723091.db2.gz UZHMGEBSSBTEOJ-UHFFFAOYSA-N 0 0 374.397 2.899 50 5 FFBARN Cc1nc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)sc1C ZINC000012522786 506869669 /nfs/dbraw/zinc/86/96/69/506869669.db2.gz VJHVJQNFBICOQS-UHFFFAOYSA-N 0 0 362.411 2.757 50 5 FFBARN CC(=O)Nc1ccc2c(COc3cccnc3[N+](=O)[O-])cc(=O)oc2c1 ZINC000012546990 506875823 /nfs/dbraw/zinc/87/58/23/506875823.db2.gz JTMBRHSHMKYEQJ-UHFFFAOYSA-N 0 0 355.306 2.634 50 5 FFBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccccc1C(=O)NC1CC1 ZINC000012562139 506880412 /nfs/dbraw/zinc/88/04/12/506880412.db2.gz NWEYBBUCBNCXGZ-UHFFFAOYSA-N 0 0 368.393 2.846 50 5 FFBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)nc1n(c2=O)CCC1 ZINC000012845049 506908060 /nfs/dbraw/zinc/90/80/60/506908060.db2.gz KXGFIQOYVDUUAB-UHFFFAOYSA-N 0 0 350.334 2.503 50 5 FFBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000023057677 507328128 /nfs/dbraw/zinc/32/81/28/507328128.db2.gz OUVUVGOOYBYVAA-SJORKVTESA-N 0 0 374.485 2.674 50 5 FFBARN O=c1c([N+](=O)[O-])c(NCc2ccccc2OC(F)F)nc2ccccn21 ZINC000024201358 507397462 /nfs/dbraw/zinc/39/74/62/507397462.db2.gz HKXATAOUVWNRDD-UHFFFAOYSA-N 0 0 362.292 2.816 50 5 FFBARN COc1ccccc1COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000024666401 507427406 /nfs/dbraw/zinc/42/74/06/507427406.db2.gz NOBCHGJJNQWEIJ-UHFFFAOYSA-N 0 0 372.377 2.797 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccc2c(c1)OCCO2 ZINC000024924122 507448844 /nfs/dbraw/zinc/44/88/44/507448844.db2.gz KJLRYQLWVXXVPQ-UHFFFAOYSA-N 0 0 358.350 2.946 50 5 FFBARN O=C(Cc1csc(-c2ccco2)n1)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000025354255 507493764 /nfs/dbraw/zinc/49/37/64/507493764.db2.gz OWWIGJPHWDAIGX-CQSZACIVSA-N 0 0 373.390 2.704 50 5 FFBARN Cc1nccc(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000048300854 507497843 /nfs/dbraw/zinc/49/78/43/507497843.db2.gz DIIXBRSVLMMWCN-UHFFFAOYSA-N 0 0 369.303 2.554 50 5 FFBARN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC(c2nnc3n2CCC3)CC1 ZINC000050076465 507657280 /nfs/dbraw/zinc/65/72/80/507657280.db2.gz WYFWDTAKUWBSGM-UHFFFAOYSA-N 0 0 356.386 2.544 50 5 FFBARN COc1ccc2cc(C(=O)NC[C@H](O)c3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000031213259 507818138 /nfs/dbraw/zinc/81/81/38/507818138.db2.gz NKOBEXQIRNUBAB-KRWDZBQOSA-N 0 0 355.350 2.548 50 5 FFBARN C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CCOc2cccc(F)c2)C1=O ZINC000031662282 507820836 /nfs/dbraw/zinc/82/08/36/507820836.db2.gz PZQUGGFDKJEGPT-GOSISDBHSA-N 0 0 373.340 2.580 50 5 FFBARN COc1ccc(OCCN2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000078283037 507855761 /nfs/dbraw/zinc/85/57/61/507855761.db2.gz FGXDHFITCBVAJO-UHFFFAOYSA-N 0 0 357.410 2.804 50 5 FFBARN COC(=O)[C@@H]1CCC[C@H]1NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000079066065 507930000 /nfs/dbraw/zinc/93/00/00/507930000.db2.gz HAFUARRUPOPNEI-NXEZZACHSA-N 0 0 373.312 2.659 50 5 FFBARN Cc1ccc(-c2nnc3sc(=Cc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 ZINC000252669204 509857352 /nfs/dbraw/zinc/85/73/52/509857352.db2.gz GVMRZKIUTZOGRS-UHFFFAOYSA-N 0 0 364.386 2.582 50 5 FFBARN CC(C)c1ccc(C=c2sc(=CC(=O)C(C)(C)C)[nH]c2=O)cc1[N+](=O)[O-] ZINC000245263563 509886519 /nfs/dbraw/zinc/88/65/19/509886519.db2.gz ASSAIQCXARDORQ-UHFFFAOYSA-N 0 0 374.462 2.693 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1CN1c2ccccc2[C@H](C(N)=O)C[C@@H]1C ZINC000058424540 536952133 /nfs/dbraw/zinc/95/21/33/536952133.db2.gz BDHYBMIDMIUTTA-BLLLJJGKSA-N 0 0 355.394 2.971 50 5 FFBARN O=C([C@H]1CC(c2cccc(F)c2)=NO1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000084372088 571083943 /nfs/dbraw/zinc/08/39/43/571083943.db2.gz YMRKNKLCPUXQMJ-QGZVFWFLSA-N 0 0 355.325 2.816 50 5 FFBARN Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2)c(=O)n(-c2ccccc2)n1C ZINC000000675401 210261220 /nfs/dbraw/zinc/26/12/20/210261220.db2.gz FHXAFYPWZCVGAM-UHFFFAOYSA-N 0 0 352.350 2.645 50 5 FFBARN COC(=O)c1ccc2c(c1)s/c(=N/C(=O)c1ccc([N+](=O)[O-])cc1)n2C ZINC000012180898 219963121 /nfs/dbraw/zinc/96/31/21/219963121.db2.gz KLEIOFJTZNRFAI-ISLYRVAYSA-N 0 0 371.374 2.676 50 5 FFBARN NC(=O)c1ccc(NCC2(c3ccc(F)cc3)CCOCC2)c([N+](=O)[O-])c1 ZINC000058214682 211995471 /nfs/dbraw/zinc/99/54/71/211995471.db2.gz DSJDLWAESHVDFU-UHFFFAOYSA-N 0 0 373.384 2.993 50 5 FFBARN O=C(NCCNc1ccccc1[N+](=O)[O-])N[C@@H]1CCOc2ccccc21 ZINC000043165948 211788503 /nfs/dbraw/zinc/78/85/03/211788503.db2.gz JCIQATCQKONCBB-CQSZACIVSA-N 0 0 356.382 2.830 50 5 FFBARN O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000015835146 220166302 /nfs/dbraw/zinc/16/63/02/220166302.db2.gz LBCMNWSCNHVUHB-INIZCTEOSA-N 0 0 361.785 2.780 50 5 FFBARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])o2)NC(=O)N1 ZINC000016606821 220187938 /nfs/dbraw/zinc/18/79/38/220187938.db2.gz XAHROYCCJQZFKZ-OAHLLOKOSA-N 0 0 357.322 2.559 50 5 FFBARN CCOc1ccc(C(=O)NC2(C(=O)OC)CCC(C)CC2)cc1[N+](=O)[O-] ZINC000040145942 211500665 /nfs/dbraw/zinc/50/06/65/211500665.db2.gz KGULOGMDRCVROP-UHFFFAOYSA-N 0 0 364.398 2.845 50 5 FFBARN COc1ccc(OC)c2c1CN(C(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]2O ZINC000024238132 211404109 /nfs/dbraw/zinc/40/41/09/211404109.db2.gz QXBQDYDRONTSOG-AWEZNQCLSA-N 0 0 373.365 2.693 50 5 FFBARN CC(=O)Oc1ccc(C2=NN(C(C)=O)[C@@H](c3ccccc3[N+](=O)[O-])O2)cc1 ZINC000021092045 211305514 /nfs/dbraw/zinc/30/55/14/211305514.db2.gz IUHBUMASQFGTLE-GOSISDBHSA-N 0 0 369.333 2.759 50 5 FFBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccccc2)CC1 ZINC000019760041 211254747 /nfs/dbraw/zinc/25/47/47/211254747.db2.gz HTIQHFZBHHKVPJ-DHZHZOJOSA-N 0 0 351.406 2.952 50 5 FFBARN O=C(COC(=O)c1n[nH]c2ccccc21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000013878659 211062813 /nfs/dbraw/zinc/06/28/13/211062813.db2.gz QPLWWBOTMCFUGS-UHFFFAOYSA-N 0 0 374.740 2.920 50 5 FFBARN CCOc1cc2c(cc1CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)O[C@@H](C)C2 ZINC000012553532 210969486 /nfs/dbraw/zinc/96/94/86/210969486.db2.gz BLAGSWLRYHYDPR-NSHDSACASA-N 0 0 371.393 2.829 50 5 FFBARN Cc1c(NC(=O)CNc2ccccc2C(=O)NC2CC2)cccc1[N+](=O)[O-] ZINC000010756411 210875565 /nfs/dbraw/zinc/87/55/65/210875565.db2.gz XPCPGXYUHPSXRT-UHFFFAOYSA-N 0 0 368.393 2.846 50 5 FFBARN Cc1ccc(C(=O)NCC(=O)N[C@@H]2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000009388992 210832072 /nfs/dbraw/zinc/83/20/72/210832072.db2.gz VDSGMMJOCAORRZ-QGZVFWFLSA-N 0 0 367.405 2.827 50 5 FFBARN Cn1ccnc1[C@@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1F ZINC000008719866 210799798 /nfs/dbraw/zinc/79/97/98/210799798.db2.gz VFFKOZFUYFELRW-INIZCTEOSA-N 0 0 369.356 2.768 50 5 FFBARN O=C(NCCNc1ccccc1[N+](=O)[O-])c1cc2ccccc2oc1=O ZINC000008145736 210771821 /nfs/dbraw/zinc/77/18/21/210771821.db2.gz ADSIGTZFJDKLCP-UHFFFAOYSA-N 0 0 353.334 2.543 50 5 FFBARN CN(CCOc1ccccc1)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000007984440 210762661 /nfs/dbraw/zinc/76/26/61/210762661.db2.gz TZAIZRYVVANGSN-UHFFFAOYSA-N 0 0 350.396 2.514 50 5 FFBARN O=C(Cn1cnc2ccccc21)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000007735687 210751593 /nfs/dbraw/zinc/75/15/93/210751593.db2.gz YHAPTQKZHQPELV-UHFFFAOYSA-N 0 0 369.333 2.554 50 5 FFBARN COc1ccccc1-n1c2ccc([N+](=O)[O-])cc2nc1SCC(N)=O ZINC000006291745 210666941 /nfs/dbraw/zinc/66/69/41/210666941.db2.gz PFURSJAFYIIUNH-UHFFFAOYSA-N 0 0 358.379 2.520 50 5 FFBARN O=C(CSc1ccsc1[N+](=O)[O-])NCc1ccc2c(c1)OCO2 ZINC000005035959 210594585 /nfs/dbraw/zinc/59/45/85/210594585.db2.gz QHSHDQBBNPDQHU-UHFFFAOYSA-N 0 0 352.393 2.794 50 5 FFBARN Cc1ccn2c(c1)nc(=O)c1cc(S(=O)(=O)c3ccccc3)ccc12 ZINC000004708650 210554956 /nfs/dbraw/zinc/55/49/56/210554956.db2.gz SZVMZRDOPHCPLB-UHFFFAOYSA-N 0 0 350.399 2.989 50 5 FFBARN CCOC(=O)CSc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000004294095 210522103 /nfs/dbraw/zinc/52/21/03/210522103.db2.gz OPIWLRRQUXIJQN-UHFFFAOYSA-N 0 0 373.330 2.544 50 5 FFBARN O=C(CCn1ccc([N+](=O)[O-])n1)Nc1c(F)c(F)c(F)c(F)c1F ZINC000002781940 210422449 /nfs/dbraw/zinc/42/24/49/210422449.db2.gz YQCGZYSMNFWJCL-UHFFFAOYSA-N 0 0 350.203 2.516 50 5 FFBARN O=C(CSCc1ccc([N+](=O)[O-])cc1)NCc1ccc2c(c1)OCO2 ZINC000002851601 210430091 /nfs/dbraw/zinc/43/00/91/210430091.db2.gz BNGBZQBGJVPCBH-UHFFFAOYSA-N 0 0 360.391 2.873 50 5 FFBARN Cc1sc2ncn3nc(C(C)(C)n4cc([N+](=O)[O-])cn4)nc3c2c1C ZINC000002808389 210426952 /nfs/dbraw/zinc/42/69/52/210426952.db2.gz RCXBVXHTKRHRJZ-UHFFFAOYSA-N 0 0 357.399 2.844 50 5 FFBARN COC(=O)c1ccc([N+](=O)[O-])c(OS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000002570921 210407080 /nfs/dbraw/zinc/40/70/80/210407080.db2.gz DDXQKLLUKAVMHX-UHFFFAOYSA-N 0 0 371.754 2.803 50 5 FFBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)O[C@@]12CCOC(C)(C)C2 ZINC000001133611 210322955 /nfs/dbraw/zinc/32/29/55/210322955.db2.gz HHSBXLGQZNIDHW-FZKQIMNGSA-N 0 0 362.382 2.733 50 5 FFBARN CC(=O)Oc1ccc(Cl)cc1N1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000001085705 210314397 /nfs/dbraw/zinc/31/43/97/210314397.db2.gz TXNCEAYQGGTXEH-UHFFFAOYSA-N 0 0 360.709 2.974 50 5 FFBARN Cc1c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C ZINC000000831020 210277657 /nfs/dbraw/zinc/27/76/57/210277657.db2.gz MKTVEZQGBJRGGQ-UHFFFAOYSA-N 0 0 366.377 2.953 50 5 FFBARN COc1ccccc1C(=O)N1CCCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000058165848 221102023 /nfs/dbraw/zinc/10/20/23/221102023.db2.gz FQYPXDICTPIWKO-UHFFFAOYSA-N 0 0 369.421 2.952 50 5 FFBARN CCN1C[C@H](CN(C)C(=O)c2cccc([N+](=O)[O-])c2)Oc2ccccc21 ZINC000007256940 132839698 /nfs/dbraw/zinc/83/96/98/132839698.db2.gz WLRIWXKAFJKISR-INIZCTEOSA-N 0 0 355.394 2.954 50 5 FFBARN COC(=O)c1cccc2c3c([nH]c21)CCN(c1ncccc1[N+](=O)[O-])C3 ZINC000025577837 132914110 /nfs/dbraw/zinc/91/41/10/132914110.db2.gz NAJAURQTEYOGOL-UHFFFAOYSA-N 0 0 352.350 2.820 50 5 FFBARN Cc1ccc(F)c(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H](C)C2=O)c1 ZINC000037520273 132942268 /nfs/dbraw/zinc/94/22/68/132942268.db2.gz IDLRRAQBYIWJBW-CYBMUJFWSA-N 0 0 371.368 2.920 50 5 FFBARN Cc1cc(CN2CCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)on1 ZINC000042109789 136121042 /nfs/dbraw/zinc/12/10/42/136121042.db2.gz FZNVSURCRFZOJU-UHFFFAOYSA-N 0 0 353.382 2.762 50 5 FFBARN COc1cccc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1OC ZINC000055543843 136126920 /nfs/dbraw/zinc/12/69/20/136126920.db2.gz IPILBYTZNFRPGJ-UHFFFAOYSA-N 0 0 357.410 2.934 50 5 FFBARN O=[N+]([O-])c1c2nonc2c(N2CCOCC2)cc1NCc1ccccc1 ZINC000004131824 136151751 /nfs/dbraw/zinc/15/17/51/136151751.db2.gz OLBDPJOSJXFAME-UHFFFAOYSA-N 0 0 355.354 2.580 50 5 FFBARN NC(=O)c1ccc(CN(Cc2ccccc2)C[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000052866092 506268751 /nfs/dbraw/zinc/26/87/51/506268751.db2.gz KBXGXWOCWASPKU-GOSISDBHSA-N 0 0 369.421 2.875 50 5 FFBARN Cc1ccc(NC(=O)Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)c(Cl)c1 ZINC000002623011 506285411 /nfs/dbraw/zinc/28/54/11/506285411.db2.gz ATHWUTJRYGMUKS-UHFFFAOYSA-N 0 0 372.768 2.905 50 5 FFBARN CN(C(=O)Cc1csc(NC(=O)C2CC2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000032769186 506293646 /nfs/dbraw/zinc/29/36/46/506293646.db2.gz OTOXVEBQLOVUBK-UHFFFAOYSA-N 0 0 360.395 2.605 50 5 FFBARN Cc1nn(CCc2nc3c4c(C)c(C)sc4ncn3n2)c(C)c1[N+](=O)[O-] ZINC000002808685 506294970 /nfs/dbraw/zinc/29/49/70/506294970.db2.gz QWEVOKHHESVHKT-UHFFFAOYSA-N 0 0 371.426 2.920 50 5 FFBARN O=C(N/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)N1CCCCC1)c1ccco1 ZINC000002950079 506303352 /nfs/dbraw/zinc/30/33/52/506303352.db2.gz CKCZLBLFKLPAKD-SSZFMOIBSA-N 0 0 369.377 2.971 50 5 FFBARN Cc1ccc(OCC(=O)NC(=S)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000002971546 506304659 /nfs/dbraw/zinc/30/46/59/506304659.db2.gz QPUCXYWYUXFJQU-UHFFFAOYSA-N 0 0 363.370 2.934 50 5 FFBARN CCOC(=O)c1sc2ncn(Cc3cccc([N+](=O)[O-])c3)c(=O)c2c1C ZINC000003017641 506307884 /nfs/dbraw/zinc/30/78/84/506307884.db2.gz PHJDARQVSZAQMC-UHFFFAOYSA-N 0 0 373.390 2.900 50 5 FFBARN CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)O[C@H]1c1ccc2c(c1)OCO2 ZINC000003092316 506309618 /nfs/dbraw/zinc/30/96/18/506309618.db2.gz MXZZZGCVCWXDKK-KRWDZBQOSA-N 0 0 355.306 2.563 50 5 FFBARN COC(=O)c1cc([N+](=O)[O-])c(=O)n(Cc2c(Cl)cccc2Cl)c1 ZINC000032922684 506312851 /nfs/dbraw/zinc/31/28/51/506312851.db2.gz SXVIAUSUBCXKRP-UHFFFAOYSA-N 0 0 357.149 2.898 50 5 FFBARN COc1cccc(/C=C/C(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000003230342 506313040 /nfs/dbraw/zinc/31/30/40/506313040.db2.gz VUXUBKLEUZBWQW-VMPITWQZSA-N 0 0 374.324 2.938 50 5 FFBARN O=C(COC(=O)c1ccc(F)cc1F)Nc1cc([N+](=O)[O-])ccc1F ZINC000003249861 506315294 /nfs/dbraw/zinc/31/52/94/506315294.db2.gz QCIMDNXBGRYECH-UHFFFAOYSA-N 0 0 354.240 2.808 50 5 FFBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)OCC(=O)NCc1ccc(F)cc1 ZINC000003377316 506326232 /nfs/dbraw/zinc/32/62/32/506326232.db2.gz ZDQJQSLROHZLTE-RMKNXTFCSA-N 0 0 358.325 2.607 50 5 FFBARN COc1ccc(NC(=O)CN(C)C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000003431025 506331365 /nfs/dbraw/zinc/33/13/65/506331365.db2.gz BCUYGMHWHFZMMY-UHFFFAOYSA-N 0 0 357.366 2.623 50 5 FFBARN Cc1noc(C)c1[C@H]1CCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000033086869 506334268 /nfs/dbraw/zinc/33/42/68/506334268.db2.gz VAEYXXSCLDTCQC-CYBMUJFWSA-N 0 0 351.384 2.725 50 5 FFBARN CCOC(=O)c1sc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2c1NC(C)=O ZINC000003617937 506348482 /nfs/dbraw/zinc/34/84/82/506348482.db2.gz ISXZFCVWJQJESY-UHFFFAOYSA-N 0 0 353.312 2.853 50 5 FFBARN CCN(CC)c1nc(N)c([N+](=O)[O-])c(Nc2cc(OC)ccc2OC)n1 ZINC000004306279 506369308 /nfs/dbraw/zinc/36/93/08/506369308.db2.gz HKUMQCZHVMDHNW-UHFFFAOYSA-N 0 0 362.390 2.574 50 5 FFBARN O=C(c1ccco1)N1CCN(c2ccc([N+](=O)[O-])c(NC3CC3)c2)CC1 ZINC000004543701 506381506 /nfs/dbraw/zinc/38/15/06/506381506.db2.gz SHUCPGOHJQGCLO-UHFFFAOYSA-N 0 0 356.382 2.725 50 5 FFBARN C[C@@]1(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1(Cl)Cl ZINC000004740708 506391640 /nfs/dbraw/zinc/39/16/40/506391640.db2.gz SMRWYZIJENJMEY-AWEZNQCLSA-N 0 0 358.225 2.827 50 5 FFBARN O=[N+]([O-])c1c2nonc2c(NCc2ccccc2)cc1N1CCOCC1 ZINC000004888852 506402191 /nfs/dbraw/zinc/40/21/91/506402191.db2.gz WJFZUZOBMBRZGB-UHFFFAOYSA-N 0 0 355.354 2.580 50 5 FFBARN CCSCCOC(=O)C1=C(C)NC(=O)C[C@H]1c1ccccc1[N+](=O)[O-] ZINC000004913540 506406559 /nfs/dbraw/zinc/40/65/59/506406559.db2.gz MAPVNLSCVDWVMY-ZDUSSCGKSA-N 0 0 364.423 2.769 50 5 FFBARN COCCCNC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2onc(C)c21 ZINC000036618468 506408652 /nfs/dbraw/zinc/40/86/52/506408652.db2.gz YCMQSTFRQJELFT-UHFFFAOYSA-N 0 0 370.365 2.873 50 5 FFBARN O=C(C[C@@]1(O)C(=O)Nc2ccc([N+](=O)[O-])cc21)c1ccc(Cl)s1 ZINC000005049724 506417367 /nfs/dbraw/zinc/41/73/67/506417367.db2.gz HPOVKSAVNSBYHX-AWEZNQCLSA-N 0 0 352.755 2.722 50 5 FFBARN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)NC12CC3CC(CC(C3)C1)C2 ZINC000005110067 506422191 /nfs/dbraw/zinc/42/21/91/506422191.db2.gz MYWQZNANDZCRED-UHFFFAOYSA-N 0 0 358.394 2.837 50 5 FFBARN COCCNc1ccc([N+](=O)[O-])cc1C(=O)OCc1cn2ccccc2n1 ZINC000005105346 506423082 /nfs/dbraw/zinc/42/30/82/506423082.db2.gz BRAFRWICPDIZBD-UHFFFAOYSA-N 0 0 370.365 2.658 50 5 FFBARN CC(=O)Nc1cccc(Oc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC000006399044 506480905 /nfs/dbraw/zinc/48/09/05/506480905.db2.gz OLHYPUDDQOLPLX-UHFFFAOYSA-N 0 0 350.352 2.749 50 5 FFBARN O=C(Nc1nc(-c2ccc(F)cc2F)cs1)c1n[nH]cc1[N+](=O)[O-] ZINC000006447973 506483209 /nfs/dbraw/zinc/48/32/09/506483209.db2.gz MJESQTYFGAWSJJ-UHFFFAOYSA-N 0 0 351.294 2.972 50 5 FFBARN Cc1cccc(-c2nc3s/c(=C/c4ccccc4[N+](=O)[O-])c(=O)n3n2)c1 ZINC000006479029 506485099 /nfs/dbraw/zinc/48/50/99/506485099.db2.gz CWBMNKZBYYZRAH-XNTDXEJSSA-N 0 0 364.386 2.582 50 5 FFBARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cccc(C)c2[N+](=O)[O-])c1 ZINC000006524592 506486452 /nfs/dbraw/zinc/48/64/52/506486452.db2.gz IBQNVYYTKPXJAP-UHFFFAOYSA-N 0 0 372.333 2.729 50 5 FFBARN CC1=C(C(=O)NC(C)(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=S)N1C ZINC000006801742 506508977 /nfs/dbraw/zinc/50/89/77/506508977.db2.gz UIJWYRRHBFPONU-CQSZACIVSA-N 0 0 362.455 2.645 50 5 FFBARN O=C1OC(c2ccc([N+](=O)[O-])cc2)=NC1=CNc1cccc([N+](=O)[O-])c1 ZINC000006882732 506513052 /nfs/dbraw/zinc/51/30/52/506513052.db2.gz BNWJOBWXDOGTLW-NTEUORMPSA-N 0 0 354.278 2.760 50 5 FFBARN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(-n2ccnc2)cc1 ZINC000007050174 506528345 /nfs/dbraw/zinc/52/83/45/506528345.db2.gz BHKMOWCNDZUTNE-CYBMUJFWSA-N 0 0 372.406 2.820 50 5 FFBARN COC(=O)C1=C(C)N(C2CC2)C(=O)N[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000007552549 506569303 /nfs/dbraw/zinc/56/93/03/506569303.db2.gz GSDJUAQUOJHNFQ-AWEZNQCLSA-N 0 0 365.773 2.924 50 5 FFBARN COc1ccc(C(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000007605283 506573534 /nfs/dbraw/zinc/57/35/34/506573534.db2.gz AJUKPEAEBXXUPB-LBPRGKRZSA-N 0 0 370.361 2.738 50 5 FFBARN COc1ccc([C@@H](NC(=O)c2ccccc2[N+](=O)[O-])c2nccn2C)cc1 ZINC000012519854 506870141 /nfs/dbraw/zinc/87/01/41/506870141.db2.gz ALOWSMCYIMKVNX-QGZVFWFLSA-N 0 0 366.377 2.856 50 5 FFBARN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cnc2ccccc2c1 ZINC000012544945 506876420 /nfs/dbraw/zinc/87/64/20/506876420.db2.gz JRCAXYPOTDVRFC-UHFFFAOYSA-N 0 0 364.361 2.902 50 5 FFBARN CCNC(=O)c1cccc(NC(=O)CCNc2ccccc2[N+](=O)[O-])c1 ZINC000012550067 506878681 /nfs/dbraw/zinc/87/86/81/506878681.db2.gz UYWXPYKVFTUKSX-UHFFFAOYSA-N 0 0 356.382 2.785 50 5 FFBARN COc1cc(C(=O)OCc2cn3cccc(C)c3n2)c([N+](=O)[O-])cc1OC ZINC000012582439 506880507 /nfs/dbraw/zinc/88/05/07/506880507.db2.gz PZPXMSAVSDXBIX-UHFFFAOYSA-N 0 0 371.349 2.925 50 5 FFBARN Cn1cnc([N+](=O)[O-])c1N1CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC000012627514 506886095 /nfs/dbraw/zinc/88/60/95/506886095.db2.gz UGXOQKAZSRIHTO-UHFFFAOYSA-N 0 0 372.816 2.857 50 5 FFBARN Cc1cccc(N2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@H]2C)c1 ZINC000012645815 506887532 /nfs/dbraw/zinc/88/75/32/506887532.db2.gz ORWBCOAQKBMZJD-CQSZACIVSA-N 0 0 354.410 2.717 50 5 FFBARN CC(=O)c1ccccc1NC(=O)COC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000012695987 506889970 /nfs/dbraw/zinc/88/99/70/506889970.db2.gz XIVHVLQOQAHYPM-UHFFFAOYSA-N 0 0 356.334 2.901 50 5 FFBARN O=C(NCc1cccnc1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]12 ZINC000024536597 507418346 /nfs/dbraw/zinc/41/83/46/507418346.db2.gz QVBRSFIHSOHDHL-MJGOQNOKSA-N 0 0 366.421 2.837 50 5 FFBARN Cc1ccc([C@H](CN2CCOCC2)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000024684705 507429740 /nfs/dbraw/zinc/42/97/40/507429740.db2.gz SLXSFRVZCMGNGM-IBGZPJMESA-N 0 0 369.421 2.707 50 5 FFBARN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@H]1CCc2ccccc21 ZINC000025051520 507461347 /nfs/dbraw/zinc/46/13/47/507461347.db2.gz DYMDKPSKJYYJBL-KRWDZBQOSA-N 0 0 353.378 2.518 50 5 FFBARN CCn1cnnc1-c1cccc(NC(=O)COc2ccccc2[N+](=O)[O-])c1 ZINC000025287621 507483269 /nfs/dbraw/zinc/48/32/69/507483269.db2.gz ZDYUUOJSUHGKSE-UHFFFAOYSA-N 0 0 367.365 2.891 50 5 FFBARN CCc1ccc(NC(=O)Cn2cnc3c(C)cccc3c2=O)cc1[N+](=O)[O-] ZINC000027311763 507645276 /nfs/dbraw/zinc/64/52/76/507645276.db2.gz VSPXMXRLYAQYNA-UHFFFAOYSA-N 0 0 366.377 2.814 50 5 FFBARN COC(=O)[C@H](C)[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000072310574 507775199 /nfs/dbraw/zinc/77/51/99/507775199.db2.gz HVJBRRRDWRNNBG-FZKQIMNGSA-N 0 0 372.377 2.640 50 5 FFBARN COc1ccc(CN(C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000029502353 507780328 /nfs/dbraw/zinc/78/03/28/507780328.db2.gz UIYGCNHKPVUASU-UHFFFAOYSA-N 0 0 353.382 2.951 50 5 FFBARN O=C(N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000045819525 570912404 /nfs/dbraw/zinc/91/24/04/570912404.db2.gz NPTGIHFGCGXZJM-KYJSFNMBSA-N 0 0 368.368 2.698 50 5 FFBARN COc1cc(/C=C\C(=O)Oc2cccc([N+](=O)[O-])c2)cc2c1OCCO2 ZINC000096861277 964023574 /nfs/dbraw/zinc/02/35/74/964023574.db2.gz PZDPLEJBBOGZIP-WAYWQWQTSA-N 0 0 357.318 2.993 50 5 FFBARN COc1cc(NC(=O)COC(=O)/C=C\c2ccco2)c(C)cc1[N+](=O)[O-] ZINC000035334758 1019638307 /nfs/dbraw/zinc/63/83/07/1019638307.db2.gz XARJOJHOAJUDBZ-WAYWQWQTSA-N 0 0 360.322 2.700 50 5 FFBARN Cc1ccc2nc(COC(=O)/C=C/c3ccccc3[N+](=O)[O-])cc(=O)n2c1 ZINC000007420209 219804724 /nfs/dbraw/zinc/80/47/24/219804724.db2.gz VQUFCXNUXAVUCN-VQHVLOKHSA-N 0 0 365.345 2.668 50 5 FFBARN Cc1cc(C)n(Cc2cccc(CNC(=O)c3ccc([N+](=O)[O-])o3)c2)n1 ZINC000058264377 212000320 /nfs/dbraw/zinc/00/03/20/212000320.db2.gz AEQSKMRMRBPEGC-UHFFFAOYSA-N 0 0 354.366 2.979 50 5 FFBARN O=C(COc1cccc([N+](=O)[O-])c1)NCCOc1cccc(Cl)c1 ZINC000040113550 211490783 /nfs/dbraw/zinc/49/07/83/211490783.db2.gz RFTWMJHWGJGETH-UHFFFAOYSA-N 0 0 350.758 2.822 50 5 FFBARN CC[C@H]1CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCO1 ZINC000023894140 211397083 /nfs/dbraw/zinc/39/70/83/211397083.db2.gz QWGCSWMDKVRYCC-HNNXBMFYSA-N 0 0 350.418 2.792 50 5 FFBARN O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000023106245 211375538 /nfs/dbraw/zinc/37/55/38/211375538.db2.gz PFAZKEGDIWUYGC-SFHVURJKSA-N 0 0 373.384 2.537 50 5 FFBARN O=c1c2cnc3nc4ccccc4n3c2ccn1-c1ccc2c(c1)OCCO2 ZINC000022607824 211357201 /nfs/dbraw/zinc/35/72/01/211357201.db2.gz QRQIJDFDXWAXCZ-UHFFFAOYSA-N 0 0 370.368 2.958 50 5 FFBARN Cn1c(SCn2cc([N+](=O)[O-])cn2)nnc1-c1cccc(Cl)c1 ZINC000017072796 211175890 /nfs/dbraw/zinc/17/58/90/211175890.db2.gz XJHGAIIMVPRKQR-UHFFFAOYSA-N 0 0 350.791 2.990 50 5 FFBARN COC(=O)C1CCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000015413017 211128412 /nfs/dbraw/zinc/12/84/12/211128412.db2.gz PIXUGZRHZKHPMJ-NSHDSACASA-N 0 0 360.370 2.591 50 5 FFBARN O=[N+]([O-])c1cc(N[C@@H]2C[C@H](O)[C@@H](O)CO2)cc(Sc2ccccc2)c1 ZINC000015240729 211125428 /nfs/dbraw/zinc/12/54/28/211125428.db2.gz AQFSCHZBYWUHCK-ULQDDVLXSA-N 0 0 362.407 2.626 50 5 biogenic,in-vitro FFBARN O=[N+]([O-])c1cc([N+](=O)[O-])c(NC[C@@H]2CCCO2)cc1NC[C@H]1CCCO1 ZINC000015227806 211125109 /nfs/dbraw/zinc/12/51/09/211125109.db2.gz JMDYGVBOORMJTR-TXEJJXNPSA-N 0 0 366.374 2.685 50 5 FFBARN COc1cc(CSc2nnnn2C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000014124218 211074442 /nfs/dbraw/zinc/07/44/42/211074442.db2.gz WWEMASUEZXBBDL-UHFFFAOYSA-N 0 0 373.341 2.819 50 5 FFBARN COc1ccc(C(=O)Nc2n[nH]c(-c3ccc(C)cc3)n2)cc1[N+](=O)[O-] ZINC000013006708 211018183 /nfs/dbraw/zinc/01/81/83/211018183.db2.gz XTXVHPJHTKUWDL-UHFFFAOYSA-N 0 0 353.338 2.949 50 5 FFBARN O=C(COc1cc(F)ccc1[N+](=O)[O-])c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000012985656 211015763 /nfs/dbraw/zinc/01/57/63/211015763.db2.gz OJTOMNFIERVPLN-UHFFFAOYSA-N 0 0 361.329 2.560 50 5 FFBARN CC(=O)N1CCc2cc(NC(=O)COc3cc(F)ccc3[N+](=O)[O-])ccc21 ZINC000012978960 211013103 /nfs/dbraw/zinc/01/31/03/211013103.db2.gz HEHFXHYZEQUUCZ-UHFFFAOYSA-N 0 0 373.340 2.660 50 5 FFBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)OCCCO2 ZINC000012521250 210962743 /nfs/dbraw/zinc/96/27/43/210962743.db2.gz BHBSQFNQIDRFHE-UHFFFAOYSA-N 0 0 364.379 2.865 50 5 FFBARN COc1cc(Cn2cc([N+](=O)[O-])ccc2=O)c(OC)cc1Br ZINC000008878650 210807057 /nfs/dbraw/zinc/80/70/57/210807057.db2.gz UWZIPCSWVGBIAY-UHFFFAOYSA-N 0 0 369.171 2.585 50 5 FFBARN O=C(/C=C/c1ccccc1)NCCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000008079553 210769143 /nfs/dbraw/zinc/76/91/43/210769143.db2.gz XYGHJQJTMXLEQX-RMKNXTFCSA-N 0 0 357.341 2.892 50 5 FFBARN CC(=O)Nc1ccccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004740414 210557917 /nfs/dbraw/zinc/55/79/17/210557917.db2.gz MZCQIEXOWBHZPY-UHFFFAOYSA-N 0 0 358.310 2.643 50 5 FFBARN Cc1ccc(S(=O)(=O)N2CCc3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])cc1 ZINC000002381273 210395782 /nfs/dbraw/zinc/39/57/82/210395782.db2.gz ICMUKAOBIWFYGK-UHFFFAOYSA-N 0 0 363.351 2.563 50 5 FFBARN COc1cc(C=O)ccc1OC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000002053022 210378450 /nfs/dbraw/zinc/37/84/50/210378450.db2.gz OYQCHTPOGQDTKV-UHFFFAOYSA-N 0 0 360.278 2.852 50 5 FFBARN COC(=O)c1cc(C(=O)Nc2ccc(NC(C)=O)cc2)cc([N+](=O)[O-])c1 ZINC000001218126 210337325 /nfs/dbraw/zinc/33/73/25/210337325.db2.gz ZZCAHOBJWXXHKN-UHFFFAOYSA-N 0 0 357.322 2.592 50 5 FFBARN O=[N+]([O-])c1ccc2[nH]c(CSc3nnnn3-c3ccccc3)nc2c1 ZINC000001187011 210332370 /nfs/dbraw/zinc/33/23/70/210332370.db2.gz YGJDCOPUXSBKOY-UHFFFAOYSA-N 0 0 353.367 2.739 50 5 FFBARN COC(=O)c1ccccc1NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000001191791 210331797 /nfs/dbraw/zinc/33/17/97/210331797.db2.gz PTSXPURLSYCTRR-UHFFFAOYSA-N 0 0 360.322 2.651 50 5 biogenic FFBARN C[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)O[C@H](c2cccc([N+](=O)[O-])c2)O1 ZINC000001025704 210302868 /nfs/dbraw/zinc/30/28/68/210302868.db2.gz YVYVINMYBSLRMG-BBATYDOGSA-N 0 0 372.333 2.815 50 5 FFBARN COc1ccc([C@@H]2c3c(c4ccccc4oc3=O)OC(N)=C2[N+](=O)[O-])cc1 ZINC000001052027 210309540 /nfs/dbraw/zinc/30/95/40/210309540.db2.gz QCYFEZFCQJBYAE-CQSZACIVSA-N 0 0 366.329 2.730 50 5 biogenic FFBARN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000001043347 210306433 /nfs/dbraw/zinc/30/64/33/210306433.db2.gz TYXRHAOAENLYNW-QGZVFWFLSA-N 0 0 367.361 2.590 50 5 FFBARN Cc1cc(C)cc(NC(=O)NC[C@@H](O)COc2ccc([N+](=O)[O-])cc2)c1 ZINC000001033888 210304107 /nfs/dbraw/zinc/30/41/07/210304107.db2.gz RWFYZLRFNRVSGO-MRXNPFEDSA-N 0 0 359.382 2.773 50 5 FFBARN Cc1nnc(Sc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])n1N ZINC000022024871 220373748 /nfs/dbraw/zinc/37/37/48/220373748.db2.gz UJGGFASKHWVSCG-UHFFFAOYSA-N 0 0 355.379 2.591 50 5 FFBARN Cc1nn(C[C@@H](O)COc2cccc(C(F)(F)F)c2)c(C)c1[N+](=O)[O-] ZINC000058160924 221100624 /nfs/dbraw/zinc/10/06/24/221100624.db2.gz HRGKHVYTIWXQHJ-GFCCVEGCSA-N 0 0 359.304 2.867 50 5 FFBARN C[C@H]1CN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cn2)C[C@H](C)O1 ZINC000239782573 132288895 /nfs/dbraw/zinc/28/88/95/132288895.db2.gz CPHLIVBUPMAJGM-STQMWFEESA-N 0 0 356.382 2.856 50 5 FFBARN CCOc1ccccc1N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000000831826 132378908 /nfs/dbraw/zinc/37/89/08/132378908.db2.gz CEJGKPQDPDABAC-UHFFFAOYSA-N 0 0 355.394 2.956 50 5 FFBARN O=C(Cc1noc2ccccc21)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000003908518 132386124 /nfs/dbraw/zinc/38/61/24/132386124.db2.gz VPWIPPJUHKRJII-UHFFFAOYSA-N 0 0 366.377 2.627 50 5 FFBARN O=[N+]([O-])c1ccc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cn1 ZINC000023408954 136153045 /nfs/dbraw/zinc/15/30/45/136153045.db2.gz XAJHOEXBFMLPAX-UHFFFAOYSA-N 0 0 353.304 2.730 50 5 FFBARN O=C(NCCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cccc(F)c1 ZINC000096277515 222108837 /nfs/dbraw/zinc/10/88/37/222108837.db2.gz JPCOZBFPIVKJKF-UHFFFAOYSA-N 0 0 356.313 2.756 50 5 FFBARN O=C(/C=C\c1cc([N+](=O)[O-])cc2c1OCOC2)NCc1ccccc1F ZINC000097998653 222219376 /nfs/dbraw/zinc/21/93/76/222219376.db2.gz VLANTWIMZRHGBV-WAYWQWQTSA-N 0 0 358.325 2.930 50 5 FFBARN Cc1cc2c(nc3s/c(=C\c4cccc([N+](=O)[O-])c4)c(=O)n23)c(C)c1 ZINC000000676925 263141783 /nfs/dbraw/zinc/14/17/83/263141783.db2.gz FBWXKJIGXMPRRK-DHDCSXOGSA-N 0 0 351.387 2.982 50 5 FFBARN Cc1cc(OCC(=O)N2CCN(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000009114463 263359334 /nfs/dbraw/zinc/35/93/34/263359334.db2.gz DOROTSBKXFWPES-UHFFFAOYSA-N 0 0 355.394 2.631 50 5 FFBARN Cc1c([N+](=O)[O-])c([N+](=O)[O-])nn1CC(=O)Nc1ccc(Cl)cc1Cl ZINC000004646423 506387194 /nfs/dbraw/zinc/38/71/94/506387194.db2.gz ZOXLFMSUMLTHMR-UHFFFAOYSA-N 0 0 374.140 2.953 50 5 FFBARN CCOc1ccc(C(C)=O)cc1Cn1cnc2cc([N+](=O)[O-])ccc2c1=O ZINC000002621204 506283596 /nfs/dbraw/zinc/28/35/96/506283596.db2.gz APVSXMGPOPFWGR-UHFFFAOYSA-N 0 0 367.361 2.954 50 5 FFBARN O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCC(O)CC1 ZINC000032803851 506297507 /nfs/dbraw/zinc/29/75/07/506297507.db2.gz JBXGGLVNFBKZSB-UHFFFAOYSA-N 0 0 352.188 2.867 50 5 FFBARN Cc1c(Br)c([N+](=O)[O-])nn1[C@@H](C)C(=O)NCc1cccs1 ZINC000002884712 506299542 /nfs/dbraw/zinc/29/95/42/506299542.db2.gz BZHVCOXKGFTLAZ-QMMMGPOBSA-N 0 0 373.232 2.801 50 5 FFBARN O=c1[nH]c(=O)c2c([nH]1)OC(c1ccccc1)=C[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000003166493 506310799 /nfs/dbraw/zinc/31/07/99/506310799.db2.gz ZNNDXCMITIUCOL-CQSZACIVSA-N 0 0 363.329 2.949 50 5 FFBARN COc1ccc(OCC(=O)NCCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000003443423 506331129 /nfs/dbraw/zinc/33/11/29/506331129.db2.gz YMJZSUVWGXJQLE-UHFFFAOYSA-N 0 0 364.785 2.995 50 5 FFBARN Cc1cc(N2CCOCC2)ccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000033186023 506344940 /nfs/dbraw/zinc/34/49/40/506344940.db2.gz PNSKSOPIQYHZPZ-UHFFFAOYSA-N 0 0 355.394 2.921 50 5 FFBARN O=c1c2ccccc2nc(/C=C/c2ccc([N+](=O)[O-])cc2)n1CCCO ZINC000004093749 506358593 /nfs/dbraw/zinc/35/85/93/506358593.db2.gz OVVLEMVSRJFGFS-DHZHZOJOSA-N 0 0 351.362 2.858 50 5 FFBARN CCC(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccco3)c2)CC1 ZINC000004123421 506361059 /nfs/dbraw/zinc/36/10/59/506361059.db2.gz FGHWEGQGQKMRTB-UHFFFAOYSA-N 0 0 358.398 2.859 50 5 FFBARN COc1ccccc1C1=NO[C@H](COC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000004334877 506372576 /nfs/dbraw/zinc/37/25/76/506372576.db2.gz WAHWAVDUMOEKLY-AWEZNQCLSA-N 0 0 356.334 2.953 50 5 FFBARN O=C(N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000004497487 506378467 /nfs/dbraw/zinc/37/84/67/506378467.db2.gz YLMWATJQHUZMPR-CYBMUJFWSA-N 0 0 359.769 2.784 50 5 FFBARN CC(=O)Oc1ccc2nc(COc3ccc([N+](=O)[O-])cc3)oc(=O)c2c1 ZINC000004499626 506379616 /nfs/dbraw/zinc/37/96/16/506379616.db2.gz AIBKCUOMDVIIQJ-UHFFFAOYSA-N 0 0 356.290 2.601 50 5 FFBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cn1 ZINC000004547978 506382039 /nfs/dbraw/zinc/38/20/39/506382039.db2.gz GPGRUHSULQWKMU-UHFFFAOYSA-N 0 0 352.144 2.770 50 5 FFBARN COC(=O)c1ccc(NC=C2N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1 ZINC000004590675 506384193 /nfs/dbraw/zinc/38/41/93/506384193.db2.gz IEHIOJNAAXASNV-XNTDXEJSSA-N 0 0 367.317 2.638 50 5 FFBARN CCOc1ccc(C(=O)COC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000004740695 506391033 /nfs/dbraw/zinc/39/10/33/506391033.db2.gz YOEJDDLHABSVCT-UHFFFAOYSA-N 0 0 374.305 2.941 50 5 FFBARN O=C(NC(=S)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccco1 ZINC000004754825 506393656 /nfs/dbraw/zinc/39/36/56/506393656.db2.gz NVBRSRGACVJXGB-UHFFFAOYSA-N 0 0 374.403 2.860 50 5 FFBARN O=c1c2cc3c(ccn(-c4ccncc4)c3=O)nc2ccn1Cc1ccco1 ZINC000036125574 506396736 /nfs/dbraw/zinc/39/67/36/506396736.db2.gz LKPVZYFLCVVOQO-UHFFFAOYSA-N 0 0 370.368 2.737 50 5 FFBARN COc1ccccc1NC(=O)c1cc(-n2cc([N+](=O)[O-])cn2)cnc1C ZINC000004821034 506397736 /nfs/dbraw/zinc/39/77/36/506397736.db2.gz CXBDVXLMCCCUFS-UHFFFAOYSA-N 0 0 353.338 2.745 50 5 FFBARN CCCC1=Nc2ncnn2[C@@H](c2ccccc2[N+](=O)[O-])C1C(=O)OCC ZINC000004866826 506401123 /nfs/dbraw/zinc/40/11/23/506401123.db2.gz UBRVJLIUDXQIDP-HNNXBMFYSA-N 0 0 357.370 2.819 50 5 FFBARN O=C(CSc1nnc(-c2ccncc2)o1)Nc1cccc([N+](=O)[O-])c1 ZINC000004941526 506407346 /nfs/dbraw/zinc/40/73/46/506407346.db2.gz YNNJDPRMNXKAIH-UHFFFAOYSA-N 0 0 357.351 2.771 50 5 FFBARN COc1ccc2cc3c(N)nn(C(=O)c4ccccc4[N+](=O)[O-])c3nc2c1 ZINC000004939912 506408135 /nfs/dbraw/zinc/40/81/35/506408135.db2.gz VHVJCLWOXHRPDC-UHFFFAOYSA-N 0 0 363.333 2.772 50 5 FFBARN COc1ccccc1Nc1nc(NCc2ccco2)nc(N)c1[N+](=O)[O-] ZINC000005026103 506416223 /nfs/dbraw/zinc/41/62/23/506416223.db2.gz FQANZQDONBVFDT-UHFFFAOYSA-N 0 0 356.342 2.924 50 5 FFBARN O=C(Nc1ccc2nc3n(c(=O)c2c1)CCCC3)c1ccccc1[N+](=O)[O-] ZINC000005139788 506424816 /nfs/dbraw/zinc/42/48/16/506424816.db2.gz NWYXUMNOQGFJAV-UHFFFAOYSA-N 0 0 364.361 2.893 50 5 FFBARN C[C@@H]1C[C@H](C)CN(c2nc(N)c([N+](=O)[O-])c(N3C[C@@H](C)C[C@H](C)C3)n2)C1 ZINC000005155900 506425579 /nfs/dbraw/zinc/42/55/79/506425579.db2.gz COZXRWRXROFHAP-XDQVBPFNSA-N 0 0 362.478 2.932 50 5 FFBARN Cc1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)C(=O)[C@H]1C ZINC000037520888 506427445 /nfs/dbraw/zinc/42/74/45/506427445.db2.gz RBZIDSJCBNFLJI-CQSZACIVSA-N 0 0 353.378 2.781 50 5 FFBARN O=C(Nc1ncc([N+](=O)[O-])s1)c1cccn(Cc2ccccc2F)c1=O ZINC000005270473 506432655 /nfs/dbraw/zinc/43/26/55/506432655.db2.gz NXKXVQUCBBJUCG-UHFFFAOYSA-N 0 0 374.353 2.653 50 5 FFBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@H]1CCCN(C(=O)N(C)C)C1 ZINC000040092178 506467064 /nfs/dbraw/zinc/46/70/64/506467064.db2.gz ZPVVOOIHZKMFJJ-ZFWWWQNUSA-N 0 0 362.430 2.508 50 5 FFBARN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] ZINC000006623217 506492351 /nfs/dbraw/zinc/49/23/51/506492351.db2.gz YGGOVHKLKZFZRI-UHFFFAOYSA-N 0 0 364.379 2.865 50 5 FFBARN COc1cccc(CN(C)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000006639934 506494407 /nfs/dbraw/zinc/49/44/07/506494407.db2.gz QUWOFKHOGQYRPZ-UHFFFAOYSA-N 0 0 359.382 2.683 50 5 FFBARN CC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000007157873 506538279 /nfs/dbraw/zinc/53/82/79/506538279.db2.gz XNFCPNQJUOILIY-UHFFFAOYSA-N 0 0 371.349 2.657 50 5 FFBARN COc1ccc2nc(NC(=O)Cn3nc(C)c([N+](=O)[O-])c3C)sc2c1 ZINC000007391449 506559983 /nfs/dbraw/zinc/55/99/83/506559983.db2.gz DALHNTPRLDUMHV-UHFFFAOYSA-N 0 0 361.383 2.665 50 5 FFBARN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000008941976 506673993 /nfs/dbraw/zinc/67/39/93/506673993.db2.gz MEYXBNNMLKQMRV-UHFFFAOYSA-N 0 0 356.165 2.862 50 5 FFBARN O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccccc1SC(F)F ZINC000008994015 506677542 /nfs/dbraw/zinc/67/75/42/506677542.db2.gz ODVFVYFTJVZYNQ-UHFFFAOYSA-N 0 0 355.322 2.710 50 5 FFBARN Cc1ccc(Nc2nc(N)c([N+](=O)[O-])c(N3C[C@@H](C)O[C@H](C)C3)n2)cc1C ZINC000009328242 506691516 /nfs/dbraw/zinc/69/15/16/506691516.db2.gz QDFXUIOFXRZTGV-CHWSQXEVSA-N 0 0 372.429 2.941 50 5 FFBARN Cn1ccnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000009377753 506695239 /nfs/dbraw/zinc/69/52/39/506695239.db2.gz PNDZIWVYHVNPPW-INIZCTEOSA-N 0 0 354.341 2.987 50 5 FFBARN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccccc1 ZINC000009895298 506715653 /nfs/dbraw/zinc/71/56/53/506715653.db2.gz XHZDIIOHLQCHLU-QGZVFWFLSA-N 0 0 353.378 2.688 50 5 FFBARN COc1ccc2c(c1)CCCN2C(=O)COc1ccc(OC)cc1[N+](=O)[O-] ZINC000011575850 506781976 /nfs/dbraw/zinc/78/19/76/506781976.db2.gz LDXAFDWSDTYZPW-UHFFFAOYSA-N 0 0 372.377 2.970 50 5 FFBARN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000012544006 506876435 /nfs/dbraw/zinc/87/64/35/506876435.db2.gz WONUJOSIFYDQSX-UHFFFAOYSA-N 0 0 368.393 2.805 50 5 FFBARN CCN(CC)c1nc(O)c(CC(=O)Nc2ccc(C)cc2[N+](=O)[O-])s1 ZINC000012687106 506889209 /nfs/dbraw/zinc/88/92/09/506889209.db2.gz FDKBBGVSPBVJBT-CYBMUJFWSA-N 0 0 364.427 2.572 50 5 FFBARN CC(C)N(Cc1cnn(C)c1)C(=O)CCn1ncc2ccc([N+](=O)[O-])cc21 ZINC000056026505 506913281 /nfs/dbraw/zinc/91/32/81/506913281.db2.gz XHKDZKVGTYQTJO-UHFFFAOYSA-N 0 0 370.413 2.505 50 5 FFBARN C[C@@H]1C[C@@H](C)CN(c2nc(N)c([N+](=O)[O-])c(N3C[C@H](C)C[C@H](C)C3)n2)C1 ZINC000013776169 506954753 /nfs/dbraw/zinc/95/47/53/506954753.db2.gz COZXRWRXROFHAP-XJFOESAGSA-N 0 0 362.478 2.932 50 5 FFBARN C[C@@H]1C[C@H](C)CN(c2nc(N)c([N+](=O)[O-])c(N3C[C@H](C)C[C@H](C)C3)n2)C1 ZINC000013776173 506954768 /nfs/dbraw/zinc/95/47/68/506954768.db2.gz COZXRWRXROFHAP-KPWCQOOUSA-N 0 0 362.478 2.932 50 5 FFBARN c1nnc2c3sc4nc(N5CCOCC5)c5c(c4c3ncn12)CCCC5 ZINC000019874156 507203563 /nfs/dbraw/zinc/20/35/63/507203563.db2.gz CTQRHNRGYRAGSX-UHFFFAOYSA-N 0 0 366.450 2.603 50 5 FFBARN COc1ccccc1-n1nnnc1SCCOc1ccccc1[N+](=O)[O-] ZINC000048332285 507503586 /nfs/dbraw/zinc/50/35/86/507503586.db2.gz HTYRJAQJYIZZGP-UHFFFAOYSA-N 0 0 373.394 2.750 50 5 FFBARN O=C(N[C@@H](CN1CCCC1=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000048957436 507582242 /nfs/dbraw/zinc/58/22/42/507582242.db2.gz IBMDWVRNOOQAAP-KRWDZBQOSA-N 0 0 353.378 2.688 50 5 FFBARN CCc1nn2c(nc(CNc3ccc(CC)c([N+](=O)[O-])c3)cc2=O)s1 ZINC000026788723 507609320 /nfs/dbraw/zinc/60/93/20/507609320.db2.gz XOMCEWHFWDKDNO-UHFFFAOYSA-N 0 0 359.411 2.796 50 5 FFBARN C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[C@H](C)O1 ZINC000079064717 507929354 /nfs/dbraw/zinc/92/93/54/507929354.db2.gz KEKDZKSTYYDXQC-YUMQZZPRSA-N 0 0 361.167 2.746 50 5 FFBARN COC(=O)[C@H]1c2ccccc2CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000095405169 508184181 /nfs/dbraw/zinc/18/41/81/508184181.db2.gz ZRQLEERNAMZZRX-GOSISDBHSA-N 0 0 356.378 2.746 50 5 FFBARN Cc1c(C)c(C)c(CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)c(C)c1C ZINC000133980962 508476369 /nfs/dbraw/zinc/47/63/69/508476369.db2.gz ZINADFYTJGXWLT-UHFFFAOYSA-N 0 0 357.410 2.615 50 5 FFBARN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1NC(=O)OC(C)(C)C ZINC000170614766 509681655 /nfs/dbraw/zinc/68/16/55/509681655.db2.gz GYHCJHVMWUHBGW-UWVGGRQHSA-N 0 0 355.416 2.642 50 5 FFBARN COC(=O)c1nn(CC(=O)c2cc(C)n(C3CC3)c2C)c(C)c1[N+](=O)[O-] ZINC000242346992 509844740 /nfs/dbraw/zinc/84/47/40/509844740.db2.gz ZKWVHZIRXGKFIY-UHFFFAOYSA-N 0 0 360.370 2.522 50 5 FFBARN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2c1nc2sccn2c1[N+](=O)[O-] ZINC000252538740 509851105 /nfs/dbraw/zinc/85/11/05/509851105.db2.gz NGHMOBDMTIPOOL-NEPJUHHUSA-N 0 0 356.411 2.862 50 5 FFBARN CNC(=O)c1cccc(NC(=O)NCc2cc([N+](=O)[O-])ccc2OC)c1C ZINC000544234084 516653399 /nfs/dbraw/zinc/65/33/99/516653399.db2.gz YPVDFLVREVSOFT-UHFFFAOYSA-N 0 0 372.381 2.593 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2ccccc2F)CC1 ZINC000009117103 536950813 /nfs/dbraw/zinc/95/08/13/536950813.db2.gz RHLNLPVIOKQOBN-UHFFFAOYSA-N 0 0 359.357 2.705 50 5 FFBARN Cc1ccc([N+](=O)[O-])cc1OC(=O)Cn1cccc(C(F)(F)F)c1=O ZINC000045997675 570917950 /nfs/dbraw/zinc/91/79/50/570917950.db2.gz GBLLITVEWLHJIF-UHFFFAOYSA-N 0 0 356.256 2.689 50 5 FFBARN C[C@@H]1Oc2ccc(NC(=O)/C=C\c3ccccc3[N+](=O)[O-])cc2NC1=O ZINC000096912942 1012456041 /nfs/dbraw/zinc/45/60/41/1012456041.db2.gz ZGDNMUOFPATBPP-WDDYJBPVSA-N 0 0 353.334 2.966 50 5 FFBARN COc1ccc(CN2CCN(Cc3ccccc3[N+](=O)[O-])CC2)c(OC)c1 ZINC000000652176 219309647 /nfs/dbraw/zinc/30/96/47/219309647.db2.gz DVCVRIKNRDSFIS-UHFFFAOYSA-N 0 0 371.437 2.930 50 5 FFBARN Cc1cc(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)ccc1Br ZINC000000987856 219350251 /nfs/dbraw/zinc/35/02/51/219350251.db2.gz UQUGYQARDRNJPP-UHFFFAOYSA-N 0 0 357.185 2.894 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000001049092 219359030 /nfs/dbraw/zinc/35/90/30/219359030.db2.gz GDXXJINLJNCHJR-CYBMUJFWSA-N 0 0 369.377 2.903 50 5 FFBARN Cc1c(Br)c([N+](=O)[O-])nn1[C@@H](C)C(=O)Nc1nccs1 ZINC000001068833 219362392 /nfs/dbraw/zinc/36/23/92/219362392.db2.gz VOVDBCMWGXKLHQ-LURJTMIESA-N 0 0 360.193 2.518 50 5 FFBARN O=C(Nc1cccc([N+](=O)[O-])c1)NC1(C(Cl)(Cl)Cl)OCCO1 ZINC000001099166 219369620 /nfs/dbraw/zinc/36/96/20/219369620.db2.gz WWZDKYBSKRDUBY-UHFFFAOYSA-N 0 0 370.576 2.787 50 5 FFBARN CCCNC(=O)c1ccc(SCC(=O)N(CC)CC)c([N+](=O)[O-])c1 ZINC000003019745 219482061 /nfs/dbraw/zinc/48/20/61/219482061.db2.gz XALJGYWBWWVTHV-UHFFFAOYSA-N 0 0 353.444 2.695 50 5 FFBARN Cc1ccc(NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c([N+](=O)[O-])c1 ZINC000003903017 219530139 /nfs/dbraw/zinc/53/01/39/219530139.db2.gz VJQCJIJCVYKEEQ-NSHDSACASA-N 0 0 353.334 2.526 50 5 FFBARN CCOc1ccc(Nc2cc(NCCO)c([N+](=O)[O-])c3nonc32)cc1 ZINC000004193976 219554499 /nfs/dbraw/zinc/55/44/99/219554499.db2.gz XTZUFWCQHIVSLI-UHFFFAOYSA-N 0 0 359.342 2.678 50 5 FFBARN Cc1ccc(S(=O)(=O)NCCSc2ccccc2)cc1[N+](=O)[O-] ZINC000004310079 219564125 /nfs/dbraw/zinc/56/41/25/219564125.db2.gz UISUHBZCADRWOI-UHFFFAOYSA-N 0 0 352.437 2.974 50 5 FFBARN CNc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)CCC3)cc1[N+](=O)[O-] ZINC000004509061 219581064 /nfs/dbraw/zinc/58/10/64/219581064.db2.gz DTWZOLMKBDFOOE-UHFFFAOYSA-N 0 0 369.377 2.921 50 5 FFBARN CN(C)C(=O)N[C@@H](Nc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl ZINC000004531852 219584184 /nfs/dbraw/zinc/58/41/84/219584184.db2.gz HVANRYOBXAAFEF-SECBINFHSA-N 0 0 355.609 2.974 50 5 FFBARN O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000005041565 219643825 /nfs/dbraw/zinc/64/38/25/219643825.db2.gz RWIUGGVTVKLSNN-UHFFFAOYSA-N 0 0 370.365 2.711 50 5 FFBARN O=C(Nc1ncc([N+](=O)[O-])s1)c1ccc(=O)n(Cc2ccc(F)cc2)c1 ZINC000007573922 219809513 /nfs/dbraw/zinc/80/95/13/219809513.db2.gz SRRIVRMXFHHBSQ-UHFFFAOYSA-N 0 0 374.353 2.653 50 5 FFBARN Cc1nn(CC(=O)NCCSc2ccc(Cl)cc2)c(C)c1[N+](=O)[O-] ZINC000007828327 219829768 /nfs/dbraw/zinc/82/97/68/219829768.db2.gz ZNNYTYWZBATHHI-UHFFFAOYSA-N 0 0 368.846 2.970 50 5 FFBARN O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000010257270 219898118 /nfs/dbraw/zinc/89/81/18/219898118.db2.gz KAVCMDDCFVWLGH-UHFFFAOYSA-N 0 0 356.313 2.542 50 5 FFBARN COC[C@@H](C)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] ZINC000012554227 220007337 /nfs/dbraw/zinc/00/73/37/220007337.db2.gz FPDYGAZLTIMLDD-CYBMUJFWSA-N 0 0 371.459 2.606 50 5 FFBARN CC(=O)N1CCc2cc(N[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)ccc21 ZINC000012562215 220008503 /nfs/dbraw/zinc/00/85/03/220008503.db2.gz ZGSWCJXDKVARGK-LBPRGKRZSA-N 0 0 368.393 2.943 50 5 FFBARN CC(=O)N1CCc2cc(NC(=O)CNc3cccc([N+](=O)[O-])c3C)ccc21 ZINC000012589912 220011096 /nfs/dbraw/zinc/01/10/96/220011096.db2.gz XEHZGWSLBMMTKK-UHFFFAOYSA-N 0 0 368.393 2.863 50 5 FFBARN O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1nc2ccccc2s1 ZINC000012621427 220014457 /nfs/dbraw/zinc/01/44/57/220014457.db2.gz WFIUGHUTRRPWLU-UHFFFAOYSA-N 0 0 370.346 2.751 50 5 FFBARN Cc1nn(CC(=O)N[C@H]2CCSc3c(F)cccc32)c(C)c1[N+](=O)[O-] ZINC000012621693 220014785 /nfs/dbraw/zinc/01/47/85/220014785.db2.gz JOSGTTZBTWEDFX-ZDUSSCGKSA-N 0 0 364.402 2.901 50 5 FFBARN CNc1ccc(C(=O)NCCCn2cnc3ccccc32)cc1[N+](=O)[O-] ZINC000012727900 220022358 /nfs/dbraw/zinc/02/23/58/220022358.db2.gz RLRMIPVGUPWETA-UHFFFAOYSA-N 0 0 353.382 2.806 50 5 FFBARN Cc1ccc(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000012754103 220024495 /nfs/dbraw/zinc/02/44/95/220024495.db2.gz HXFBLJSCNRFMHI-SFHVURJKSA-N 0 0 369.421 2.707 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CN2CCCC2=O)cc1 ZINC000012816556 220033810 /nfs/dbraw/zinc/03/38/10/220033810.db2.gz DAINZYLWDCYKNP-UHFFFAOYSA-N 0 0 369.377 2.978 50 5 FFBARN O=C(NCc1nnc2ccc(C(F)(F)F)cn21)c1ccc([N+](=O)[O-])cc1 ZINC000013003613 220051991 /nfs/dbraw/zinc/05/19/91/220051991.db2.gz XMHMDHFEXUAYLL-UHFFFAOYSA-N 0 0 365.271 2.586 50 5 FFBARN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000015095431 220148615 /nfs/dbraw/zinc/14/86/15/220148615.db2.gz OFXGLZAOHRTQBH-CQSZACIVSA-N 0 0 365.393 2.938 50 5 FFBARN C[C@@H](OC(=O)[C@H]1COc2ccccc2C1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000016293435 220182675 /nfs/dbraw/zinc/18/26/75/220182675.db2.gz STDQQYVZASSCNS-TZMCWYRMSA-N 0 0 370.361 2.716 50 5 FFBARN C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000029890216 220613006 /nfs/dbraw/zinc/61/30/06/220613006.db2.gz RHIOLMHDTNUOFN-ZDUSSCGKSA-N 0 0 369.377 2.799 50 5 FFBARN CCOC(=O)C(C(=O)OCC)c1nc(Cl)c([N+](=O)[O-])cc1Cl ZINC000036440479 220819960 /nfs/dbraw/zinc/81/99/60/220819960.db2.gz HCNFCDJVZJGAHR-UHFFFAOYSA-N 0 0 351.142 2.506 50 5 FFBARN O=C(NCc1ccccn1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000047698375 220996855 /nfs/dbraw/zinc/99/68/55/220996855.db2.gz HNQDNFRGDJNPTH-UHFFFAOYSA-N 0 0 355.272 2.861 50 5 FFBARN O=C(NCCc1cc(F)cc2c1OCOC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000047070157 220987862 /nfs/dbraw/zinc/98/78/62/220987862.db2.gz AOMUQZLQUMEDQE-UHFFFAOYSA-N 0 0 361.329 2.965 50 5 FFBARN Cc1c(CS(=O)(=O)Cc2noc(C(C)(C)C)n2)cccc1[N+](=O)[O-] ZINC000048717525 221015061 /nfs/dbraw/zinc/01/50/61/221015061.db2.gz MQXSNKQRKABXNW-UHFFFAOYSA-N 0 0 353.400 2.699 50 5 FFBARN Cc1cccc(OCCN(C)C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000058270016 221112660 /nfs/dbraw/zinc/11/26/60/221112660.db2.gz PECLGVFXKMNVHW-UHFFFAOYSA-N 0 0 372.377 2.825 50 5 FFBARN CC(=O)N1N=C(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)O[C@H]1c1ccccc1F ZINC000064819837 221152602 /nfs/dbraw/zinc/15/26/02/221152602.db2.gz GCIYVKVHXZJLBL-INIZCTEOSA-N 0 0 374.284 2.881 50 5 FFBARN CCOC(=O)CN(CC(C)C)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000065732946 221236198 /nfs/dbraw/zinc/23/61/98/221236198.db2.gz YRYDSPUXTNEUDW-UHFFFAOYSA-N 0 0 361.398 2.597 50 5 FFBARN CCCO[C@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)C1 ZINC000067435625 221254976 /nfs/dbraw/zinc/25/49/76/221254976.db2.gz WXCFWERRWNEPKU-HNNXBMFYSA-N 0 0 356.444 2.791 50 5 FFBARN Cc1sc(C(=O)Nc2cc(Br)c[nH]c2=O)cc1[N+](=O)[O-] ZINC000067937586 221306984 /nfs/dbraw/zinc/30/69/84/221306984.db2.gz CPSUMKRRZGCACZ-UHFFFAOYSA-N 0 0 358.173 2.668 50 5 FFBARN Cc1ccc(NC(=O)N2CCN(c3ncc([N+](=O)[O-])cc3C)CC2)cc1 ZINC000096006342 132216968 /nfs/dbraw/zinc/21/69/68/132216968.db2.gz HLDPWEUCRJCOMG-UHFFFAOYSA-N 0 0 355.398 2.961 50 5 FFBARN COc1ccccc1Nc1nc(N2CCC(C)CC2)nc(N)c1[N+](=O)[O-] ZINC000005029786 132825985 /nfs/dbraw/zinc/82/59/85/132825985.db2.gz PALXWPSWOJHNLN-UHFFFAOYSA-N 0 0 358.402 2.956 50 5 FFBARN O=C(COc1ccc([N+](=O)[O-])cc1Cl)N1CC(=O)Nc2ccccc21 ZINC000006062088 132831225 /nfs/dbraw/zinc/83/12/25/132831225.db2.gz PXDSFWWYDRSESS-UHFFFAOYSA-N 0 0 361.741 2.612 50 5 FFBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccccc1N1CCCC1=O ZINC000009653543 263362529 /nfs/dbraw/zinc/36/25/29/263362529.db2.gz HCCWOJCRMUKVMH-UHFFFAOYSA-N 0 0 355.350 2.739 50 5 FFBARN O=C(NC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(F)cc1 ZINC000025212284 263388280 /nfs/dbraw/zinc/38/82/80/263388280.db2.gz XIBMFUHTHUGUOW-UHFFFAOYSA-N 0 0 371.368 2.769 50 5 FFBARN Cc1c(NC(=O)c2cccc([N+](=O)[O-])c2C)c(=O)n(-c2ccccc2)n1C ZINC000000705128 506228659 /nfs/dbraw/zinc/22/86/59/506228659.db2.gz QUAFVDMMEZZYRS-UHFFFAOYSA-N 0 0 366.377 2.953 50 5 FFBARN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)OCc1nc2ccccc2o1 ZINC000032719060 506282097 /nfs/dbraw/zinc/28/20/97/506282097.db2.gz IFGLGLUXCTYVIW-UHFFFAOYSA-N 0 0 369.333 2.599 50 5 FFBARN CCC(=O)Nc1ccc(CNC(=O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000032816697 506298673 /nfs/dbraw/zinc/29/86/73/506298673.db2.gz AVSMHEFYLIWXSC-UHFFFAOYSA-N 0 0 357.366 2.639 50 5 FFBARN COC(=O)c1ccc(CN(C)Cn2ncc3ccc([N+](=O)[O-])cc32)cc1 ZINC000032824943 506299775 /nfs/dbraw/zinc/29/97/75/506299775.db2.gz FRCLKZGMZKPUMW-UHFFFAOYSA-N 0 0 354.366 2.821 50 5 FFBARN CCOCCc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000002878132 506300212 /nfs/dbraw/zinc/30/02/12/506300212.db2.gz CHILFLZIVMMDKP-UHFFFAOYSA-N 0 0 356.791 2.931 50 5 FFBARN O=C(N/C(=C\c1ccco1)C(=O)N1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000002905418 506302151 /nfs/dbraw/zinc/30/21/51/506302151.db2.gz PIGGNSAHTIZGIE-LGMDPLHJSA-N 0 0 369.377 2.971 50 5 FFBARN CCN(CC)C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1 ZINC000002950091 506303241 /nfs/dbraw/zinc/30/32/41/506303241.db2.gz USBFKELRAAYCKF-QINSGFPZSA-N 0 0 357.366 2.827 50 5 FFBARN Cc1cc(-c2nnc(CSc3nnc(N)s3)o2)ccc1[N+](=O)[O-] ZINC000003138532 506311478 /nfs/dbraw/zinc/31/14/78/506311478.db2.gz XEILLSABZMRYQD-UHFFFAOYSA-N 0 0 350.385 2.679 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)COc1ncnc2ccccc21 ZINC000003245339 506314627 /nfs/dbraw/zinc/31/46/27/506314627.db2.gz IWPTUXKYIKSPDM-UHFFFAOYSA-N 0 0 354.322 2.564 50 5 FFBARN CSc1ncccc1C(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003450899 506332277 /nfs/dbraw/zinc/33/22/77/506332277.db2.gz LPLRJKPUFFNDFX-JTQLQIEISA-N 0 0 361.379 2.896 50 5 FFBARN O=C(Cc1ccccc1[N+](=O)[O-])Nc1cc2c(cc1Cl)NC(=O)CO2 ZINC000033193827 506346472 /nfs/dbraw/zinc/34/64/72/506346472.db2.gz IUDJQQUQQQSRDX-UHFFFAOYSA-N 0 0 361.741 2.760 50 5 FFBARN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000004027815 506355793 /nfs/dbraw/zinc/35/57/93/506355793.db2.gz OQODUOPOUIJZDO-UHFFFAOYSA-N 0 0 357.391 2.823 50 5 biogenic FFBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2oc(=O)sc2c1 ZINC000004148308 506362442 /nfs/dbraw/zinc/36/24/42/506362442.db2.gz ZOZOTONYJBKVLQ-UHFFFAOYSA-N 0 0 366.376 2.872 50 5 FFBARN O=C(c1ccc(F)cc1F)N1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000004191946 506364838 /nfs/dbraw/zinc/36/48/38/506364838.db2.gz CFEKVJPOSLVIMZ-UHFFFAOYSA-N 0 0 365.311 2.975 50 5 FFBARN COc1ccc(Nc2nc(NCc3ccco3)nc(N)c2[N+](=O)[O-])cc1 ZINC000004306102 506370258 /nfs/dbraw/zinc/37/02/58/506370258.db2.gz WYPXDZCLCFKARD-UHFFFAOYSA-N 0 0 356.342 2.924 50 5 FFBARN C[C@@H]1CC(=O)N(c2ccc(NCCc3ccc(O)cc3)c([N+](=O)[O-])c2)C1=O ZINC000004684404 506387489 /nfs/dbraw/zinc/38/74/89/506387489.db2.gz ZKJQUJMWJGDMIY-GFCCVEGCSA-N 0 0 369.377 2.854 50 5 FFBARN Cc1ccc(N2C(=O)c3cc([N+](=O)[O-])c(N4CCOCC4)cc3C2=O)cc1 ZINC000004686405 506388451 /nfs/dbraw/zinc/38/84/51/506388451.db2.gz XLYLBKLHESPKJL-UHFFFAOYSA-N 0 0 367.361 2.540 50 5 FFBARN CNc1cc(N2CCN(C(=O)c3ccccc3C)CC2)ccc1[N+](=O)[O-] ZINC000004703764 506389777 /nfs/dbraw/zinc/38/97/77/506389777.db2.gz RJYKWFMDVDEQSK-UHFFFAOYSA-N 0 0 354.410 2.907 50 5 FFBARN O=C(NCCCn1ccnc1)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 ZINC000004863704 506400626 /nfs/dbraw/zinc/40/06/26/506400626.db2.gz RYXNDSRZZGWNBY-UHFFFAOYSA-N 0 0 371.441 2.992 50 5 FFBARN Cc1cccc(NC(=O)c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)c1 ZINC000004997416 506413053 /nfs/dbraw/zinc/41/30/53/506413053.db2.gz QGVHRBIKUNCXEQ-UHFFFAOYSA-N 0 0 354.410 2.907 50 5 FFBARN Cc1ccc(SCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000005027825 506415590 /nfs/dbraw/zinc/41/55/90/506415590.db2.gz YTTZXRZFSYWZOV-UHFFFAOYSA-N 0 0 352.437 2.974 50 5 FFBARN Cc1ccccc1OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000005027552 506416244 /nfs/dbraw/zinc/41/62/44/506416244.db2.gz CCFUUALRJUIQJH-UHFFFAOYSA-N 0 0 355.394 2.631 50 5 FFBARN COc1cccc(CN2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)c1OC ZINC000005051455 506419685 /nfs/dbraw/zinc/41/96/85/506419685.db2.gz DYMMILBRMHARMV-UHFFFAOYSA-N 0 0 371.437 2.930 50 5 FFBARN CC(=O)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o/c1=N\c1cccc(F)c1 ZINC000005188691 506427205 /nfs/dbraw/zinc/42/72/05/506427205.db2.gz ZGACXOKONRARAS-UZYVYHOESA-N 0 0 369.308 2.989 50 5 FFBARN Cc1cccc(N2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@@H]2C)c1 ZINC000005688427 506453289 /nfs/dbraw/zinc/45/32/89/506453289.db2.gz ORWBCOAQKBMZJD-AWEZNQCLSA-N 0 0 354.410 2.717 50 5 FFBARN O=C1N[C@@]2(CCCc3sccc32)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000005679378 506453338 /nfs/dbraw/zinc/45/33/38/506453338.db2.gz QNHOEXRMIFUFGK-QGZVFWFLSA-N 0 0 357.391 2.940 50 5 FFBARN CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000040155566 506475709 /nfs/dbraw/zinc/47/57/09/506475709.db2.gz CEMNVEGBAZLCHF-CYBMUJFWSA-N 0 0 371.315 2.885 50 5 FFBARN O=C(CSc1ncnc2[nH]cnc21)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000006382835 506480701 /nfs/dbraw/zinc/48/07/01/506480701.db2.gz STDHPBVRGPPSDS-UHFFFAOYSA-N 0 0 364.774 2.645 50 5 FFBARN COc1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000006486800 506485340 /nfs/dbraw/zinc/48/53/40/506485340.db2.gz IMCNCKVJQGXOMZ-NSHDSACASA-N 0 0 374.349 2.796 50 5 FFBARN Cc1ccc(S(=O)(=O)NCCSCc2ccco2)cc1[N+](=O)[O-] ZINC000006520655 506486390 /nfs/dbraw/zinc/48/63/90/506486390.db2.gz SDEYYWHSPXFBPP-UHFFFAOYSA-N 0 0 356.425 2.708 50 5 FFBARN CC[C@@H]1Oc2ccccc2C(=O)N(CC(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000006719944 506501272 /nfs/dbraw/zinc/50/12/72/506501272.db2.gz IPHHVSDUBMUVDA-INIZCTEOSA-N 0 0 368.345 2.618 50 5 FFBARN CCc1noc(C)c1C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000006949012 506519270 /nfs/dbraw/zinc/51/92/70/506519270.db2.gz MCRRQCGZGINZTL-UHFFFAOYSA-N 0 0 358.310 2.861 50 5 FFBARN Cc1cc(CNC(=O)COC(=O)c2cccc(C)c2[N+](=O)[O-])cc(C)c1O ZINC000007986124 506609554 /nfs/dbraw/zinc/60/95/54/506609554.db2.gz HZXAOEHISPUJIW-UHFFFAOYSA-N 0 0 372.377 2.699 50 5 FFBARN NC=C1c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-] ZINC000008444011 506650821 /nfs/dbraw/zinc/65/08/21/506650821.db2.gz SDNCJZPNKGJVRF-UHFFFAOYSA-N 0 0 373.237 2.648 50 5 FFBARN CCOC(=O)c1cc(C(=O)Nc2nnc(C3CC3)s2)cc([N+](=O)[O-])c1 ZINC000009337593 506691236 /nfs/dbraw/zinc/69/12/36/506691236.db2.gz AEOUMTMQBLTNHT-UHFFFAOYSA-N 0 0 362.367 2.753 50 5 FFBARN O=[N+]([O-])c1ccccc1S(=O)(=O)NCCSCc1ccsc1 ZINC000009389926 506696035 /nfs/dbraw/zinc/69/60/35/506696035.db2.gz PILRATDZQLMMQF-UHFFFAOYSA-N 0 0 358.466 2.868 50 5 FFBARN CC[C@@H](CO)Nc1ccc(-c2n[nH]c(=O)c3ccccc32)cc1[N+](=O)[O-] ZINC000010257308 506734309 /nfs/dbraw/zinc/73/43/09/506734309.db2.gz ZVPCIVRVOIEYAS-LBPRGKRZSA-N 0 0 354.366 2.681 50 5 FFBARN O=[N+]([O-])c1ccc2c(c1)[C@H](N1CCOCC1)/C(=C\C1(O)CCCCC1)O2 ZINC000012375205 506855934 /nfs/dbraw/zinc/85/59/34/506855934.db2.gz NTHQPAPZADRELK-KJCUYJGMSA-N 0 0 360.410 2.940 50 5 FFBARN CN(C)C(=O)[C@@H](c1ccccc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000015443450 507041785 /nfs/dbraw/zinc/04/17/85/507041785.db2.gz SMMWNBRJYFVAAX-LJQANCHMSA-N 0 0 368.437 2.546 50 5 FFBARN O=[N+]([O-])c1ccc(-c2ncn(C[C@@H](O)COc3ccc(Cl)cc3)n2)cc1 ZINC000046060822 507071004 /nfs/dbraw/zinc/07/10/04/507071004.db2.gz XCPIKHAKBZVUPW-OAHLLOKOSA-N 0 0 374.784 2.947 50 5 FFBARN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCOCC2)c([N+](=O)[O-])c1 ZINC000023732541 507369207 /nfs/dbraw/zinc/36/92/07/507369207.db2.gz OLFJKLALILCVTR-SFHVURJKSA-N 0 0 355.394 2.915 50 5 FFBARN O=[N+]([O-])c1cccnc1N1CCN(CCOc2ccccc2Cl)CC1 ZINC000024572834 507419206 /nfs/dbraw/zinc/41/92/06/507419206.db2.gz KGLBYFUQWLZTSV-UHFFFAOYSA-N 0 0 362.817 2.844 50 5 FFBARN O=C(NCc1cccnc1-n1cccn1)c1ccc([N+](=O)[O-])cc1Cl ZINC000024590139 507422246 /nfs/dbraw/zinc/42/22/46/507422246.db2.gz WCOGDSYTBMNXPE-UHFFFAOYSA-N 0 0 357.757 2.759 50 5 FFBARN CCCc1ccc(OCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000030835756 507813546 /nfs/dbraw/zinc/81/35/46/507813546.db2.gz LQXSDKMBUMOYRP-UHFFFAOYSA-N 0 0 364.423 2.905 50 5 FFBARN O=C(Nc1ccc2c(c1)OCO2)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000031204722 507818113 /nfs/dbraw/zinc/81/81/13/507818113.db2.gz XKZKQBKAQMXUDQ-UHFFFAOYSA-N 0 0 352.306 2.762 50 5 FFBARN COc1ccc(C(=O)Nc2ccc(OC)c(OC)c2OC)cc1[N+](=O)[O-] ZINC000075127060 508084908 /nfs/dbraw/zinc/08/49/08/508084908.db2.gz GMEKTGUYKJSWGJ-UHFFFAOYSA-N 0 0 362.338 2.882 50 5 FFBARN CC(C)c1nnc(CNc2ncc(Br)cc2[N+](=O)[O-])n1C ZINC000095467635 508187951 /nfs/dbraw/zinc/18/79/51/508187951.db2.gz TYFAUJZEMHIUNM-UHFFFAOYSA-N 0 0 355.196 2.616 50 5 FFBARN C[C@H](Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000095468374 508187640 /nfs/dbraw/zinc/18/76/40/508187640.db2.gz BVGFCNDLPJIODT-VHSXEESVSA-N 0 0 364.370 2.818 50 5 FFBARN C[C@@H](O)c1nc2ccccc2n1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000095947488 508198358 /nfs/dbraw/zinc/19/83/58/508198358.db2.gz GEMQGBXWLZRISC-LLVKDONJSA-N 0 0 355.350 2.913 50 5 FFBARN C[C@H](OC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000248133018 509243610 /nfs/dbraw/zinc/24/36/10/509243610.db2.gz ZINVDDQTRNQZSD-MCYUEQNJSA-N 0 0 363.414 2.663 50 5 FFBARN Cc1nc2ccccn2c1-c1nnc2sc(-c3ccc([N+](=O)[O-])o3)nn21 ZINC000227143766 509406673 /nfs/dbraw/zinc/40/66/73/509406673.db2.gz AKLORIOSXWXUNG-UHFFFAOYSA-N 0 0 367.350 2.977 50 5 FFBARN COC(=O)N1CCC([C@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000170600789 509675876 /nfs/dbraw/zinc/67/58/76/509675876.db2.gz CNGHCPGQXMQKCP-VIFPVBQESA-N 0 0 355.416 2.561 50 5 FFBARN Cc1c(C(=O)N2CCc3c2cccc3[N+](=O)[O-])cccc1N1CCNC1=O ZINC000170640925 509691865 /nfs/dbraw/zinc/69/18/65/509691865.db2.gz SNFMWHMINNFWHM-UHFFFAOYSA-N 0 0 366.377 2.636 50 5 FFBARN COc1cccc2c1N(CC(=O)N1CCc3ccc([N+](=O)[O-])cc31)CCC2 ZINC000026339593 536959643 /nfs/dbraw/zinc/95/96/43/536959643.db2.gz WLSHKBODRXOJFV-UHFFFAOYSA-N 0 0 367.405 2.945 50 5 FFBARN O=C(NCC12CC3CC(CC(C3)C1)C2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000048700298 570958541 /nfs/dbraw/zinc/95/85/41/570958541.db2.gz HRCQSPCLWUXGCM-UHFFFAOYSA-N 0 0 357.410 2.866 50 5 FFBARN Cc1c(CS(=O)(=O)CC(=O)N[C@@H]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000048718154 570959264 /nfs/dbraw/zinc/95/92/64/570959264.db2.gz JYPFLKWDNVGMHW-IUODEOHRSA-N 0 0 368.455 2.513 50 5 FFBARN CC(=O)Oc1ccc(/C=C2/N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc1 ZINC000001227944 1014465266 /nfs/dbraw/zinc/46/52/66/1014465266.db2.gz JBYSSHUHAVLLCX-CXUHLZMHSA-N 0 0 352.302 2.865 50 5 FFBARN COc1cc(/C=C\C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])ccc1O ZINC000033370451 990258247 /nfs/dbraw/zinc/25/82/47/990258247.db2.gz USBDAZRHCLHOFY-CLFYSBASSA-N 0 0 372.333 2.504 50 5 FFBARN Cn1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(N)cc1 ZINC000000694142 219314061 /nfs/dbraw/zinc/31/40/61/219314061.db2.gz JUDJWZJHJGVFNL-UHFFFAOYSA-N 0 0 369.406 2.948 50 5 FFBARN Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1cc(C)ccc1O ZINC000000797412 219322520 /nfs/dbraw/zinc/32/25/20/219322520.db2.gz SIBUOKQEHRMUIJ-UHFFFAOYSA-N 0 0 369.175 2.515 50 5 FFBARN COc1ccc(OC)c(CN2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000000865109 219333459 /nfs/dbraw/zinc/33/34/59/219333459.db2.gz PWYNSFSNBBUWGV-UHFFFAOYSA-N 0 0 371.437 2.930 50 5 FFBARN Cc1ccc(-c2nnc3s/c(=C\c4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 ZINC000001068623 219362967 /nfs/dbraw/zinc/36/29/67/219362967.db2.gz GVMRZKIUTZOGRS-GDNBJRDFSA-N 0 0 364.386 2.582 50 5 FFBARN Cc1cccc(N2C[C@H](C(=O)OCc3ccc([N+](=O)[O-])cc3)CC2=O)c1 ZINC000001059189 219360491 /nfs/dbraw/zinc/36/04/91/219360491.db2.gz SJVPWZTYFQKEPO-OAHLLOKOSA-N 0 0 354.362 3.000 50 5 FFBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O ZINC000001133199 219377220 /nfs/dbraw/zinc/37/72/20/219377220.db2.gz JWDWKQRLBZBAOB-LLVKDONJSA-N 0 0 353.334 2.526 50 5 FFBARN COCCCn1c(=O)c2c(=O)c3ccccc3n(C)c2nc1-c1ccco1 ZINC000002439416 219444662 /nfs/dbraw/zinc/44/46/62/219444662.db2.gz OCFLKZPPVRPVSL-UHFFFAOYSA-N 0 0 365.389 2.545 50 5 FFBARN Cc1ccc(Nc2nc(N)c([N+](=O)[O-])c(NC[C@H]3CCCO3)n2)cc1C ZINC000004306166 219563761 /nfs/dbraw/zinc/56/37/61/219563761.db2.gz JKEWGBJXQXXVLM-CYBMUJFWSA-N 0 0 358.402 2.918 50 5 FFBARN Cc1cc2nc3s/c(=C/c4cccc([N+](=O)[O-])c4)c(=O)n3c2cc1C ZINC000004579325 219588879 /nfs/dbraw/zinc/58/88/79/219588879.db2.gz CJKBSINIJQMRSN-CXUHLZMHSA-N 0 0 351.387 2.982 50 5 FFBARN CCS(=O)(=O)c1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000005241404 219664201 /nfs/dbraw/zinc/66/42/01/219664201.db2.gz QVHCMJLMOBGOAZ-UHFFFAOYSA-N 0 0 364.379 2.649 50 5 FFBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NNC(=S)NC[C@H]1CCCO1 ZINC000007155942 219793968 /nfs/dbraw/zinc/79/39/68/219793968.db2.gz ZJNGKOYHAZIKAJ-SECBINFHSA-N 0 0 364.349 2.584 50 5 FFBARN O=C(NCCCNC(=O)c1ccc([N+](=O)[O-])cc1)c1cc2ccccc2[nH]1 ZINC000008404248 219862324 /nfs/dbraw/zinc/86/23/24/219862324.db2.gz YAZYUAUGZGXFCF-UHFFFAOYSA-N 0 0 366.377 2.626 50 5 FFBARN COc1cc(CCNC(=O)NCc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000014015421 220103039 /nfs/dbraw/zinc/10/30/39/220103039.db2.gz IUQBEVMSUKFIEJ-UHFFFAOYSA-N 0 0 359.382 2.654 50 5 FFBARN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])o1)C(=O)Nc1ccccc1OC(F)F ZINC000014083290 220104942 /nfs/dbraw/zinc/10/49/42/220104942.db2.gz RDKXBTLBQNRCAF-MRVPVSSYSA-N 0 0 370.264 2.973 50 5 FFBARN COc1ccc(Oc2ccc3nnc(C(F)(F)F)n3n2)c([N+](=O)[O-])c1 ZINC000014212541 220116810 /nfs/dbraw/zinc/11/68/10/220116810.db2.gz ZMMRTAGEFDANMB-UHFFFAOYSA-N 0 0 355.232 2.852 50 5 FFBARN C[C@H]1CC(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2S1(=O)=O ZINC000017244169 220211301 /nfs/dbraw/zinc/21/13/01/220211301.db2.gz IFEFDAMGVMCTAA-LBPRGKRZSA-N 0 0 360.391 2.694 50 5 FFBARN Cc1ccc(NC(=O)CCCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c([N+](=O)[O-])c1 ZINC000018227916 220228951 /nfs/dbraw/zinc/22/89/51/220228951.db2.gz UZPLMHHJQJRWAR-OKILXGFUSA-N 0 0 371.393 2.573 50 5 FFBARN Cc1cc(=O)c(C(=O)N2C[C@@H](C)C[C@H](C)C2)nn1-c1ccccc1[N+](=O)[O-] ZINC000029514912 220606545 /nfs/dbraw/zinc/60/65/45/220606545.db2.gz GTXPUCYVFUTJLM-STQMWFEESA-N 0 0 370.409 2.567 50 5 FFBARN CC(C)(C)OC(=O)N1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000058086875 221098110 /nfs/dbraw/zinc/09/81/10/221098110.db2.gz HCUVBUJPADNZEY-UHFFFAOYSA-N 0 0 363.414 2.607 50 5 FFBARN COCCN1C(=O)[C@H](Oc2ccc(F)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000058085183 221098852 /nfs/dbraw/zinc/09/88/52/221098852.db2.gz PVHVWPYMSZGGGR-DLBZAZTESA-N 0 0 360.341 2.711 50 5 FFBARN O=C(CSc1ncccc1[N+](=O)[O-])Nc1ccc2c(c1)OCCCO2 ZINC000067648757 221264733 /nfs/dbraw/zinc/26/47/33/221264733.db2.gz KDJKHKCLXMNDQE-UHFFFAOYSA-N 0 0 361.379 2.882 50 5 FFBARN COc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1[N+](=O)[O-] ZINC000001149650 132380534 /nfs/dbraw/zinc/38/05/34/132380534.db2.gz LBFXOAAYPPXFTN-UHFFFAOYSA-N 0 0 359.357 2.705 50 5 FFBARN Cc1nc(N2C[C@@H](C)O[C@@H](C)C2)nc(NCc2ccccc2)c1[N+](=O)[O-] ZINC000036708812 132940210 /nfs/dbraw/zinc/94/02/10/132940210.db2.gz KQLQYQVFYCWXEY-BETUJISGSA-N 0 0 357.414 2.919 50 5 FFBARN O=C(Cn1ccc2c1cccc2[N+](=O)[O-])Nc1cccc(-c2nc[nH]n2)c1 ZINC000096223657 222085836 /nfs/dbraw/zinc/08/58/36/222085836.db2.gz WBNGGDCWPMZNLH-UHFFFAOYSA-N 0 0 362.349 2.973 50 5 FFBARN CCOC(=O)c1cc2c(nc3ccccn3c2=O)n(C2CCCCC2)c1=N ZINC000100318741 222241565 /nfs/dbraw/zinc/24/15/65/222241565.db2.gz ZBWKDXPRKZXWGY-UHFFFAOYSA-N 0 0 366.421 2.811 50 5 FFBARN COCCn1c2ccccc2s/c1=N\C(=O)c1ccccc1[N+](=O)[O-] ZINC000100872474 222255499 /nfs/dbraw/zinc/25/54/99/222255499.db2.gz LXQRUBXRRFVEAB-ZCXUNETKSA-N 0 0 357.391 2.999 50 5 FFBARN COCCn1c2ccc([N+](=O)[O-])cc2s/c1=N\C(=O)c1ccccc1 ZINC000100872666 222255802 /nfs/dbraw/zinc/25/58/02/222255802.db2.gz ZBIVIICDQCOMBE-ZCXUNETKSA-N 0 0 357.391 2.999 50 5 FFBARN O=C1[C@@H]2ON=C(c3ccc([N+](=O)[O-])cc3)C2=C(O)N1c1cccc(Cl)c1 ZINC000103529705 222337784 /nfs/dbraw/zinc/33/77/84/222337784.db2.gz GHCHCBRODQXBLY-UKRRQHHQSA-N 0 0 371.736 2.541 50 5 FFBARN Cc1ccc(N2C(=O)[C@@H]3ON=C(c4ccc([N+](=O)[O-])cc4)C3=C2O)c(C)c1 ZINC000103945272 222347641 /nfs/dbraw/zinc/34/76/41/222347641.db2.gz PEODFDAIUIXEHI-NVXWUHKLSA-N 0 0 365.345 2.504 50 5 FFBARN CS(=O)(=O)c1ccc(Oc2ccc(-c3nnco3)cc2)c([N+](=O)[O-])c1 ZINC000003449592 263329584 /nfs/dbraw/zinc/32/95/84/263329584.db2.gz OJNZAXXWDZJOOJ-UHFFFAOYSA-N 0 0 361.335 2.841 50 5 FFBARN Cc1ccc(S(=O)(=O)c2ccc(Cn3cnc([N+](=O)[O-])c3)cc2)cc1 ZINC000032331575 263393184 /nfs/dbraw/zinc/39/31/84/263393184.db2.gz HIDHALQMVHURFS-UHFFFAOYSA-N 0 0 357.391 2.981 50 5 FFBARN Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1ccc(Br)cc1C ZINC000001428828 506262905 /nfs/dbraw/zinc/26/29/05/506262905.db2.gz HHBWCXIDVZVIOG-UHFFFAOYSA-N 0 0 353.176 2.809 50 5 FFBARN CC(C)CC(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000002203451 506273479 /nfs/dbraw/zinc/27/34/79/506273479.db2.gz OVUIQBVQPYBDDH-UHFFFAOYSA-N 0 0 369.424 2.869 50 5 FFBARN CC(=O)Nc1cccc(-n2c(C)nnc2Sc2ncccc2[N+](=O)[O-])c1 ZINC000032779344 506295171 /nfs/dbraw/zinc/29/51/71/506295171.db2.gz GOYISLFLAWODPD-UHFFFAOYSA-N 0 0 370.394 2.989 50 5 FFBARN O=C(NC[C@H](c1ccccc1)N1CCOCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000032779502 506295624 /nfs/dbraw/zinc/29/56/24/506295624.db2.gz YRDKLPOUZURCQE-GOSISDBHSA-N 0 0 370.409 2.790 50 5 FFBARN CCOC(=O)CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1 ZINC000003045613 506309938 /nfs/dbraw/zinc/30/99/38/506309938.db2.gz IMEPHDUIZPFHTI-UHFFFAOYSA-N 0 0 374.349 2.689 50 5 FFBARN Cc1ccc(S(=O)(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)cc1 ZINC000032922474 506313313 /nfs/dbraw/zinc/31/33/13/506313313.db2.gz YYOLDOHACUMDNP-UHFFFAOYSA-N 0 0 357.391 2.981 50 5 FFBARN CCN(C(=O)COC(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000003442660 506331344 /nfs/dbraw/zinc/33/13/44/506331344.db2.gz SRUVAJDJNOYTNC-UHFFFAOYSA-N 0 0 358.350 2.813 50 5 FFBARN O=C1OCC2=C1[C@H](c1ccccc1[N+](=O)[O-])c1cc3c(cc1N2)OCCO3 ZINC000004051772 506357459 /nfs/dbraw/zinc/35/74/59/506357459.db2.gz DERNCXGDCOYZIX-QGZVFWFLSA-N 0 0 366.329 2.734 50 5 FFBARN Cc1cc2c(cc1C)N[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)N2 ZINC000004115951 506361044 /nfs/dbraw/zinc/36/10/44/506361044.db2.gz LCYXUFMXQYWZEG-INIZCTEOSA-N 0 0 354.366 2.973 50 5 FFBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000004732005 506392142 /nfs/dbraw/zinc/39/21/42/506392142.db2.gz DNFDTQYMAZDDGR-SNVBAGLBSA-N 0 0 361.304 2.865 50 5 FFBARN O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NCCOc2ccccc2)c1 ZINC000004844778 506399392 /nfs/dbraw/zinc/39/93/92/506399392.db2.gz ODILYHRPIZZMJX-UHFFFAOYSA-N 0 0 356.787 2.606 50 5 FFBARN COc1ccccc1N1CCN(C(=O)c2noc(C(C)C)c2[N+](=O)[O-])CC1 ZINC000004884889 506402883 /nfs/dbraw/zinc/40/28/83/506402883.db2.gz SSLPFVUJIWEGMT-UHFFFAOYSA-N 0 0 374.397 2.677 50 5 FFBARN O=C(COC(=O)c1ccc2ccccc2n1)Nc1ccccc1[N+](=O)[O-] ZINC000005079988 506421173 /nfs/dbraw/zinc/42/11/73/506421173.db2.gz ZPVBSYSGFIMDPN-UHFFFAOYSA-N 0 0 351.318 2.939 50 5 FFBARN C[C@H]1C(=O)N(c2ccc([N+](=O)[O-])cc2)CCN1C(=O)c1cccc(F)c1 ZINC000037522076 506427077 /nfs/dbraw/zinc/42/70/77/506427077.db2.gz JHKVPKWMPMPNDQ-LBPRGKRZSA-N 0 0 357.341 2.611 50 5 FFBARN O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1ccccc1N1CCOCC1 ZINC000037867520 506433062 /nfs/dbraw/zinc/43/30/62/506433062.db2.gz QUHLNLVHAMNEMY-UHFFFAOYSA-N 0 0 374.422 2.557 50 5 FFBARN NS(=O)(=O)c1ccc(NCCCSc2ccccc2)c([N+](=O)[O-])c1 ZINC000005637461 506451686 /nfs/dbraw/zinc/45/16/86/506451686.db2.gz TVNSQIQWJIGKJJ-UHFFFAOYSA-N 0 0 367.452 2.837 50 5 FFBARN O=C(COc1cccnc1[N+](=O)[O-])Nc1ccc(N2CCCCC2)cc1 ZINC000005971446 506463044 /nfs/dbraw/zinc/46/30/44/506463044.db2.gz FFPJSZIDARUNDM-UHFFFAOYSA-N 0 0 356.382 2.998 50 5 FFBARN O=C(COC(=O)c1cccc(OC(F)F)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000006485935 506484580 /nfs/dbraw/zinc/48/45/80/506484580.db2.gz BYLCAWLOLWXXHX-UHFFFAOYSA-N 0 0 366.276 2.992 50 5 FFBARN Cc1cc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])cc1C ZINC000006945466 506518696 /nfs/dbraw/zinc/51/86/96/506518696.db2.gz FLOKJEUITWSCLI-UHFFFAOYSA-N 0 0 373.321 2.915 50 5 FFBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)Cc1csc(N2CCCC2=O)n1 ZINC000008775851 506669057 /nfs/dbraw/zinc/66/90/57/506669057.db2.gz ZQUOHVZLLMWZHN-UHFFFAOYSA-N 0 0 360.395 2.668 50 5 FFBARN COC(=O)c1ccccc1NC(=O)/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000008944078 506674244 /nfs/dbraw/zinc/67/42/44/506674244.db2.gz BWKUEYZJMFDNIB-VOTSOKGWSA-N 0 0 370.317 2.762 50 5 FFBARN O=C(NCCOc1ccc(-c2cccs2)nn1)c1ccc([N+](=O)[O-])cc1 ZINC000009853331 506714351 /nfs/dbraw/zinc/71/43/51/506714351.db2.gz YUNZCPKRTVSWON-UHFFFAOYSA-N 0 0 370.390 2.922 50 5 FFBARN C[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000010643215 506750257 /nfs/dbraw/zinc/75/02/57/506750257.db2.gz CBOKUTJNFQEMMN-JTQLQIEISA-N 0 0 364.379 2.900 50 5 FFBARN Cc1sc2ncnc(N[C@@H](CO)[C@H](O)c3ccc([N+](=O)[O-])cc3)c2c1C ZINC000011170280 506768422 /nfs/dbraw/zinc/76/84/22/506768422.db2.gz HAGOYDBUFBWQDO-DZGCQCFKSA-N 0 0 374.422 2.723 50 5 FFBARN O=C(COc1cc(F)ccc1[N+](=O)[O-])Nc1cccc(N2CCCC2=O)c1 ZINC000011453540 506776466 /nfs/dbraw/zinc/77/64/66/506776466.db2.gz UXPIJXCIWYOSSB-UHFFFAOYSA-N 0 0 373.340 2.878 50 5 FFBARN Cn1ccnc1[C@@](O)(CCNc1ccc(F)cc1[N+](=O)[O-])C(F)(F)F ZINC000045802433 507022919 /nfs/dbraw/zinc/02/29/19/507022919.db2.gz VGAGRCPEIYBVQT-ZDUSSCGKSA-N 0 0 362.283 2.720 50 5 FFBARN COc1ccc(OC)c(CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC000024211844 507398669 /nfs/dbraw/zinc/39/86/69/507398669.db2.gz LNAWECRTMYSFID-UHFFFAOYSA-N 0 0 366.395 2.628 50 5 FFBARN O=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000030175909 507803399 /nfs/dbraw/zinc/80/33/99/507803399.db2.gz GLFPWIOYKXYHHP-INIZCTEOSA-N 0 0 355.350 2.965 50 5 FFBARN CN(C)c1ccc(C(=O)N2CCO[C@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000030764661 507813047 /nfs/dbraw/zinc/81/30/47/507813047.db2.gz OATBDYWNXASIAU-SFHVURJKSA-N 0 0 355.394 2.875 50 5 FFBARN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC000031034859 507816286 /nfs/dbraw/zinc/81/62/86/507816286.db2.gz RZTXYHQNYLIKLG-UHFFFAOYSA-N 0 0 371.393 2.852 50 5 FFBARN NC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000079097526 507933243 /nfs/dbraw/zinc/93/32/43/507933243.db2.gz DVTUJJVOABWDJI-PWSUYJOCSA-N 0 0 354.794 2.804 50 5 FFBARN C[C@@H]1c2cccn2CCN1S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000225832616 509390212 /nfs/dbraw/zinc/39/02/12/509390212.db2.gz GXGXPJNUBPOMHH-SECBINFHSA-N 0 0 373.793 2.954 50 5 FFBARN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)OCC(=O)Nc1ccc(Cl)cn1 ZINC000033649833 727929414 /nfs/dbraw/zinc/92/94/14/727929414.db2.gz IQCXJWKXZLHXLY-BAQGIRSFSA-N 0 0 361.741 2.838 50 5 FFBARN COc1ccc(NC(=O)COC(=O)/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000033730178 985180608 /nfs/dbraw/zinc/18/06/08/985180608.db2.gz JRAFVRAIWJXWNE-WDZFZDKYSA-N 0 0 356.334 2.799 50 5 FFBARN CN(Cc1ccccc1)C(=O)COC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000033661109 990539194 /nfs/dbraw/zinc/53/91/94/990539194.db2.gz GTSIYCGJRQJONS-XFXZXTDPSA-N 0 0 354.362 2.810 50 5 FFBARN Cc1cc(C)cc(NC(=O)NC[C@H](O)COc2ccc([N+](=O)[O-])cc2)c1 ZINC000001033887 219354613 /nfs/dbraw/zinc/35/46/13/219354613.db2.gz RWFYZLRFNRVSGO-INIZCTEOSA-N 0 0 359.382 2.773 50 5 FFBARN COc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000001059998 219361700 /nfs/dbraw/zinc/36/17/00/219361700.db2.gz LXSLUZYEXYDEFR-UHFFFAOYSA-N 0 0 357.366 2.994 50 5 FFBARN Cc1c(Br)c([N+](=O)[O-])nn1[C@H](C)C(=O)Nc1nccs1 ZINC000001068834 219362495 /nfs/dbraw/zinc/36/24/95/219362495.db2.gz VOVDBCMWGXKLHQ-ZCFIWIBFSA-N 0 0 360.193 2.518 50 5 FFBARN O=C(Cc1ccc([N+](=O)[O-])cc1)N1NC2=C(CCCC2)[C@]1(O)C(F)(F)F ZINC000001212398 219390177 /nfs/dbraw/zinc/39/01/77/219390177.db2.gz KTEOIVMFGWSIHU-DOMZBBRYSA-N 0 0 371.315 2.777 50 5 FFBARN CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000001232836 219391846 /nfs/dbraw/zinc/39/18/46/219391846.db2.gz MOTQRVGPHVHLKA-KRWDZBQOSA-N 0 0 367.361 2.923 50 5 FFBARN Cc1nn(Cc2ccc(C)cc2)c(C)c1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000002756405 219462025 /nfs/dbraw/zinc/46/20/25/219462025.db2.gz QECRLZILIAVYFF-UHFFFAOYSA-N 0 0 368.397 2.751 50 5 FFBARN CNc1ccc([N+](=O)[O-])c(CS(=O)(=O)c2ccc(C)cc2)c1[N+](=O)[O-] ZINC000005601654 219691120 /nfs/dbraw/zinc/69/11/20/219691120.db2.gz MGTMUBNNEWMMBA-UHFFFAOYSA-N 0 0 365.367 2.827 50 5 FFBARN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NCc1ccccc1 ZINC000007918444 219833862 /nfs/dbraw/zinc/83/38/62/219833862.db2.gz WZTKKGNGLHVGJE-UHFFFAOYSA-N 0 0 355.350 2.599 50 5 FFBARN Cc1ccc2[nH]c(=O)cc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)c2c1 ZINC000009201561 219876019 /nfs/dbraw/zinc/87/60/19/219876019.db2.gz AFCPOCQNKKNKQD-UHFFFAOYSA-N 0 0 366.329 2.784 50 5 FFBARN O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccccc1[N+](=O)[O-] ZINC000009709531 219885137 /nfs/dbraw/zinc/88/51/37/219885137.db2.gz JPTDKDCDWDAXET-UHFFFAOYSA-N 0 0 350.338 2.836 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000012766843 220026796 /nfs/dbraw/zinc/02/67/96/220026796.db2.gz OOVZKLYUIZAVDM-UHFFFAOYSA-N 0 0 355.350 2.748 50 5 FFBARN Cc1ccc(NC(=O)CCn2nc(-c3cccs3)oc2=O)cc1[N+](=O)[O-] ZINC000012794579 220031333 /nfs/dbraw/zinc/03/13/33/220031333.db2.gz IIHQUXKBNNORED-UHFFFAOYSA-N 0 0 374.378 2.810 50 5 FFBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000012809670 220033047 /nfs/dbraw/zinc/03/30/47/220033047.db2.gz CXMWBGQGKLQZEH-LLVKDONJSA-N 0 0 355.350 2.759 50 5 FFBARN O=C(CSc1n[nH]c(-c2cccnc2)n1)Nc1ccccc1[N+](=O)[O-] ZINC000015913496 220172675 /nfs/dbraw/zinc/17/26/75/220172675.db2.gz UUFCAODJEGEBJL-UHFFFAOYSA-N 0 0 356.367 2.506 50 5 FFBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)C[C@@H]1COc2ccccc2O1 ZINC000016629062 220189023 /nfs/dbraw/zinc/18/90/23/220189023.db2.gz CEAUWPWQLKZKKF-OAHLLOKOSA-N 0 0 371.393 2.614 50 5 FFBARN COc1cc(CNCc2cc(OC)c(OC)cc2[N+](=O)[O-])cc(OC)c1 ZINC000019721049 220292179 /nfs/dbraw/zinc/29/21/79/220292179.db2.gz GDPMYPWHWDESKX-UHFFFAOYSA-N 0 0 362.382 2.919 50 5 FFBARN COC(=O)c1ccc(OCC(=O)NC2CCCCCCC2)c([N+](=O)[O-])c1 ZINC000022222753 220379056 /nfs/dbraw/zinc/37/90/56/220379056.db2.gz OQRXIVHEPVCYCP-UHFFFAOYSA-N 0 0 364.398 2.989 50 5 FFBARN Cc1cc(C(=O)OCCCN2C(=O)c3ccccc3C2=O)ccc1[N+](=O)[O-] ZINC000024695621 220456606 /nfs/dbraw/zinc/45/66/06/220456606.db2.gz VUUWUZZWHHDNCP-UHFFFAOYSA-N 0 0 368.345 2.746 50 5 FFBARN NC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)ccc1F ZINC000025145384 220475385 /nfs/dbraw/zinc/47/53/85/220475385.db2.gz DCXUZRAPWLKKGP-UHFFFAOYSA-N 0 0 372.356 2.685 50 5 FFBARN CNC(=O)c1ccc(CN(C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000043346494 220946960 /nfs/dbraw/zinc/94/69/60/220946960.db2.gz UUCLKTSYKQBAPH-UHFFFAOYSA-N 0 0 356.382 2.927 50 5 FFBARN CN(CCCc1cc(-c2ccc(F)cc2)n(C)n1)c1c([N+](=O)[O-])ncn1C ZINC000048311316 221006248 /nfs/dbraw/zinc/00/62/48/221006248.db2.gz QTUMJVHWPQDPQV-UHFFFAOYSA-N 0 0 372.404 2.937 50 5 FFBARN O=C(Cc1ccccc1[N+](=O)[O-])N[C@H](CN1CCCC1=O)c1ccccc1 ZINC000048277510 221003798 /nfs/dbraw/zinc/00/37/98/221003798.db2.gz DLUXTFMJHAZUPC-QGZVFWFLSA-N 0 0 367.405 2.617 50 5 FFBARN CN(CCCOc1ccc([N+](=O)[O-])cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000055897843 221075756 /nfs/dbraw/zinc/07/57/56/221075756.db2.gz OFTOGCMJVGPFJZ-UHFFFAOYSA-N 0 0 368.393 2.732 50 5 FFBARN Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2F)c(=O)n(-c2ccccc2)n1C ZINC000059594618 221126396 /nfs/dbraw/zinc/12/63/96/221126396.db2.gz NTHVHONRBZKQEU-UHFFFAOYSA-N 0 0 370.340 2.784 50 5 FFBARN Cc1cn(CC(=O)NC2CCCCCC2)c(=O)n1-c1cccc([N+](=O)[O-])c1 ZINC000063863943 221144198 /nfs/dbraw/zinc/14/41/98/221144198.db2.gz VSWQXMCXMIIBOX-UHFFFAOYSA-N 0 0 372.425 2.695 50 5 FFBARN CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)O[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000064819732 221152700 /nfs/dbraw/zinc/15/27/00/221152700.db2.gz YWYMIVNXFHHKGP-INIZCTEOSA-N 0 0 356.294 2.742 50 5 FFBARN C[C@@H]1CCCN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CC1 ZINC000068778563 221318158 /nfs/dbraw/zinc/31/81/58/221318158.db2.gz WICULRCEZZDFEO-CYBMUJFWSA-N 0 0 361.398 2.932 50 5 FFBARN CS(=O)(=O)Nc1cccc2c1CCN(c1ccc([N+](=O)[O-])cc1F)C2 ZINC000058282547 136131398 /nfs/dbraw/zinc/13/13/98/136131398.db2.gz KRJSECSEODXSKW-UHFFFAOYSA-N 0 0 365.386 2.668 50 5 FFBARN COc1ccc(C(=O)NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000096277208 222108020 /nfs/dbraw/zinc/10/80/20/222108020.db2.gz SADSUUKGDFRVST-UHFFFAOYSA-N 0 0 354.322 2.583 50 5 FFBARN COc1ccc(N[C@@H]2CC(=O)N(c3cc([N+](=O)[O-])ccc3C)C2=O)cc1 ZINC000101128798 222263665 /nfs/dbraw/zinc/26/36/65/222263665.db2.gz DEDBECRSZKGNQV-OAHLLOKOSA-N 0 0 355.350 2.656 50 5 FFBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 ZINC000004681801 263335691 /nfs/dbraw/zinc/33/56/91/263335691.db2.gz UVAHMRHLDRQLFI-UHFFFAOYSA-N 0 0 363.395 2.551 50 5 FFBARN COC(=O)c1ccc(C)c(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000008210663 263353092 /nfs/dbraw/zinc/35/30/92/263353092.db2.gz POWIHOXSSFZROB-UHFFFAOYSA-N 0 0 372.333 2.713 50 5 FFBARN COCCn1c(=O)c2c(=O)c3ccccc3n(C)c2nc1-c1ccccc1 ZINC000002350191 506277805 /nfs/dbraw/zinc/27/78/05/506277805.db2.gz NMUMUFCXWACENS-UHFFFAOYSA-N 0 0 361.401 2.562 50 5 FFBARN Cc1c(Br)c(C(=O)Nc2cc([N+](=O)[O-])ccc2F)nn1C ZINC000002763556 506291884 /nfs/dbraw/zinc/29/18/84/506291884.db2.gz JBILLVXIRVKYQH-UHFFFAOYSA-N 0 0 357.139 2.791 50 5 FFBARN CCOC(=O)c1sc2cc([N+](=O)[O-])cc(SCC(=O)OC)c2c1N ZINC000002801174 506294529 /nfs/dbraw/zinc/29/45/29/506294529.db2.gz GSLNSXRNEUHTCZ-UHFFFAOYSA-N 0 0 370.408 2.834 50 5 FFBARN Cc1nn(C[C@H](C)c2nc3c4ccccc4ncn3n2)c(C)c1[N+](=O)[O-] ZINC000002806577 506294697 /nfs/dbraw/zinc/29/46/97/506294697.db2.gz VETJZZRNINZYTH-JTQLQIEISA-N 0 0 351.370 2.803 50 5 FFBARN CCn1cc2nc(SCc3cccc([N+](=O)[O-])c3)n(CC)c(=O)c2n1 ZINC000002802942 506295230 /nfs/dbraw/zinc/29/52/30/506295230.db2.gz MRBWRAXFFRHIOK-UHFFFAOYSA-N 0 0 359.411 2.833 50 5 FFBARN CCc1c(C)sc2ncn3nc(CCn4ccc([N+](=O)[O-])n4)nc3c12 ZINC000002809732 506295892 /nfs/dbraw/zinc/29/58/92/506295892.db2.gz LDJFEPXQROZPGZ-UHFFFAOYSA-N 0 0 357.399 2.557 50 5 FFBARN CCCCOc1ccc(CSc2nnc(CC)n2N)cc1[N+](=O)[O-] ZINC000002846841 506296818 /nfs/dbraw/zinc/29/68/18/506296818.db2.gz USYMHESETJLTPE-UHFFFAOYSA-N 0 0 351.432 2.934 50 5 FFBARN C[C@@H](Oc1ccccc1Cl)C(=O)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000032795469 506297154 /nfs/dbraw/zinc/29/71/54/506297154.db2.gz PTGSXWLKPLXZLO-IAQYHMDHSA-N 0 0 364.785 2.865 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cn(C)c(=O)c2ccccc12 ZINC000002927738 506301885 /nfs/dbraw/zinc/30/18/85/506301885.db2.gz ATMKOKKWYMGKSD-UHFFFAOYSA-N 0 0 353.334 2.708 50 5 FFBARN COc1cc(C)c(S(=O)(=O)n2cnc3cc([N+](=O)[O-])ccc32)cc1C ZINC000002998819 506305824 /nfs/dbraw/zinc/30/58/24/506305824.db2.gz JVLRMQWLTGZMAU-UHFFFAOYSA-N 0 0 361.379 2.807 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cc(C)oc1C ZINC000003290454 506318458 /nfs/dbraw/zinc/31/84/58/506318458.db2.gz LYPPFSPOHLULTD-NSHDSACASA-N 0 0 362.338 2.997 50 5 FFBARN C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000003314670 506319819 /nfs/dbraw/zinc/31/98/19/506319819.db2.gz PQMSJLGHMCHRNX-GHMZBOCLSA-N 0 0 354.790 2.910 50 5 FFBARN O=c1c2ccccc2nc(SCc2ccc([N+](=O)[O-])cc2)n1CCCO ZINC000003455103 506332599 /nfs/dbraw/zinc/33/25/99/506332599.db2.gz OAOTWXULGRNPFN-UHFFFAOYSA-N 0 0 371.418 2.979 50 5 FFBARN O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000003455474 506332818 /nfs/dbraw/zinc/33/28/18/506332818.db2.gz GEIXXGPMCVGEKL-UHFFFAOYSA-N 0 0 371.317 2.948 50 5 FFBARN COc1cc2c(cc1OC)[C@@H](c1ccccc1[N+](=O)[O-])C1=C(COC1=O)N2 ZINC000004052201 506357110 /nfs/dbraw/zinc/35/71/10/506357110.db2.gz YDHPPZOOSRLYLB-QGZVFWFLSA-N 0 0 368.345 2.980 50 5 FFBARN CC[C@@H](CO)Nc1ccc(-c2nn(C)c(=O)c3ccccc32)cc1[N+](=O)[O-] ZINC000004164326 506362986 /nfs/dbraw/zinc/36/29/86/506362986.db2.gz ASOVKTAKHFUBAA-ZDUSSCGKSA-N 0 0 368.393 2.692 50 5 FFBARN C[C@@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1 ZINC000004219363 506366295 /nfs/dbraw/zinc/36/62/95/506366295.db2.gz SHDSKLUMWXTGDD-CYBMUJFWSA-N 0 0 374.418 2.935 50 5 FFBARN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000004497508 506379624 /nfs/dbraw/zinc/37/96/24/506379624.db2.gz BCTDPSPOFHSKRX-AWEZNQCLSA-N 0 0 373.796 2.712 50 5 FFBARN Cc1csc2nc(COC(=O)c3cccc(C)c3[N+](=O)[O-])cc(=O)n12 ZINC000004580283 506383439 /nfs/dbraw/zinc/38/34/39/506383439.db2.gz GIMQWRKVIZZTMW-UHFFFAOYSA-N 0 0 359.363 2.638 50 5 FFBARN O=C(NCCc1nc(-c2ccc(F)cc2)no1)c1cccc([N+](=O)[O-])c1 ZINC000035681717 506389603 /nfs/dbraw/zinc/38/96/03/506389603.db2.gz MOUHMVAUYVFGKO-UHFFFAOYSA-N 0 0 356.313 2.756 50 5 FFBARN CCOC(=O)c1ccccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000004712983 506390129 /nfs/dbraw/zinc/39/01/29/506390129.db2.gz UILLOXZKKVYLMK-UHFFFAOYSA-N 0 0 360.278 2.899 50 5 FFBARN O=C(NCc1ccccn1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12 ZINC000035870206 506390631 /nfs/dbraw/zinc/39/06/31/506390631.db2.gz CITKAHJLPPLHFL-PKOBYXMFSA-N 0 0 366.421 2.837 50 5 FFBARN Cc1c(C(=O)N2CCOCC2)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12 ZINC000004931058 506406488 /nfs/dbraw/zinc/40/64/88/506406488.db2.gz OTHJSWBKMHADKY-UHFFFAOYSA-N 0 0 372.406 2.752 50 5 FFBARN CCOc1ccc(Nc2nc(NCCCOC)nc(N)c2[N+](=O)[O-])cc1 ZINC000005030145 506416328 /nfs/dbraw/zinc/41/63/28/506416328.db2.gz ZOAULAKZQZLRSH-UHFFFAOYSA-N 0 0 362.390 2.558 50 5 FFBARN COc1cc(NC(=O)COC(=O)Cc2cccs2)c(C)cc1[N+](=O)[O-] ZINC000005078650 506421428 /nfs/dbraw/zinc/42/14/28/506421428.db2.gz AKCXTYOYWWYKHL-UHFFFAOYSA-N 0 0 364.379 2.698 50 5 FFBARN COc1cccc(NC(=O)COC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 ZINC000005113298 506422271 /nfs/dbraw/zinc/42/22/71/506422271.db2.gz VJEBGZSKLHZBTI-JXMROGBWSA-N 0 0 356.334 2.799 50 5 FFBARN CC1=NN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@](O)(c2cccc([N+](=O)[O-])c2)C1 ZINC000005232415 506430219 /nfs/dbraw/zinc/43/02/19/506430219.db2.gz UFACBOHXFLUWTR-KRWDZBQOSA-N 0 0 370.321 2.570 50 5 FFBARN COc1ccc(-c2nc3cc4c(cc3[nH]2)[n+]([O-])c2ccccc2[n+]4[O-])cc1 ZINC000005318688 506435861 /nfs/dbraw/zinc/43/58/61/506435861.db2.gz UGJUZNJZBDJLGZ-UHFFFAOYSA-N 0 0 358.357 2.812 50 5 FFBARN COc1ccc(C(=O)NCc2nc(-c3ccccc3)no2)cc1[N+](=O)[O-] ZINC000005353617 506437626 /nfs/dbraw/zinc/43/76/26/506437626.db2.gz UXUGGWGUXQXWMP-UHFFFAOYSA-N 0 0 354.322 2.583 50 5 FFBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000005529523 506448212 /nfs/dbraw/zinc/44/82/12/506448212.db2.gz RMXBUIIYBFDSLU-NEPJUHHUSA-N 0 0 372.356 2.547 50 5 biogenic FFBARN CON(C)C(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000040566566 506484221 /nfs/dbraw/zinc/48/42/21/506484221.db2.gz YLEOFNJZGIPYFE-JTQLQIEISA-N 0 0 361.320 2.850 50 5 FFBARN O=C([C@H](Oc1cc(F)ccc1[N+](=O)[O-])c1ccccc1)N1CCOCC1 ZINC000006842373 506511361 /nfs/dbraw/zinc/51/13/61/506511361.db2.gz MZIKDFHOJVRYFI-QGZVFWFLSA-N 0 0 360.341 2.713 50 5 FFBARN O=C(COc1cccnc1[N+](=O)[O-])Nc1c(F)c(F)c(F)c(F)c1F ZINC000007544733 506570012 /nfs/dbraw/zinc/57/00/12/506570012.db2.gz HRMQFJOCVSFHBV-UHFFFAOYSA-N 0 0 363.198 2.703 50 5 FFBARN COc1cccc(C2=N/C(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)C(=O)O2)c1 ZINC000008179835 506630248 /nfs/dbraw/zinc/63/02/48/506630248.db2.gz CIGATYVXCZUNCC-MLPAPPSSSA-N 0 0 368.301 2.677 50 5 FFBARN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000008349414 506645286 /nfs/dbraw/zinc/64/52/86/506645286.db2.gz FLYCQVZPRKDGDE-AWEZNQCLSA-N 0 0 365.393 2.938 50 5 FFBARN O=[N+]([O-])c1cnc(N2CCO[C@@H](c3ccccc3F)C2)nc1NC1CC1 ZINC000066814248 506650118 /nfs/dbraw/zinc/65/01/18/506650118.db2.gz WXEFOUIMFAGEOA-OAHLLOKOSA-N 0 0 359.361 2.676 50 5 FFBARN CCCc1nnc(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)[nH]1 ZINC000008727373 506663535 /nfs/dbraw/zinc/66/35/35/506663535.db2.gz KXZPPTCATOFMLG-VIFPVBQESA-N 0 0 365.415 2.793 50 5 FFBARN C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CCCOc2ccccc2)C1=O ZINC000009453777 506697172 /nfs/dbraw/zinc/69/71/72/506697172.db2.gz FHVCZDLPEOBECZ-IBGZPJMESA-N 0 0 369.377 2.831 50 5 FFBARN COc1cc(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc(OC)c1OC ZINC000009721287 506708859 /nfs/dbraw/zinc/70/88/59/506708859.db2.gz VUTJZMFKNLSMSK-UHFFFAOYSA-N 0 0 358.350 2.824 50 5 FFBARN CCOc1cc(C(=O)Nc2nnc(C3CC3)s2)c([N+](=O)[O-])cc1OC ZINC000009913920 506718100 /nfs/dbraw/zinc/71/81/00/506718100.db2.gz YSQBCPYCCZMORO-UHFFFAOYSA-N 0 0 364.383 2.983 50 5 FFBARN COc1ccc(C(=O)NCCc2ccc(-n3cccn3)cc2)cc1[N+](=O)[O-] ZINC000010222127 506732808 /nfs/dbraw/zinc/73/28/08/506732808.db2.gz LOUFWFLYMBTZMY-UHFFFAOYSA-N 0 0 366.377 2.762 50 5 FFBARN COc1ccc(S(=O)(=O)Oc2cccc3c2CCC3=O)cc1[N+](=O)[O-] ZINC000010678081 506750923 /nfs/dbraw/zinc/75/09/23/506750923.db2.gz UIJNFQBLMIOTTQ-UHFFFAOYSA-N 0 0 363.347 2.500 50 5 FFBARN CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000010900649 506757916 /nfs/dbraw/zinc/75/79/16/506757916.db2.gz ZVHFDTVJLTZVRA-UHFFFAOYSA-N 0 0 355.394 2.704 50 5 FFBARN CO[C@H](CNC(=O)NCCNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000043892702 506798098 /nfs/dbraw/zinc/79/80/98/506798098.db2.gz HQRDHYNBPJTWIB-QGZVFWFLSA-N 0 0 358.398 2.694 50 5 FFBARN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000045809525 507024902 /nfs/dbraw/zinc/02/49/02/507024902.db2.gz IIVSGGGNFGENKZ-AWEZNQCLSA-N 0 0 369.468 2.546 50 5 FFBARN O=C(c1ccoc1)N1CCC(Nc2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000024207109 507398558 /nfs/dbraw/zinc/39/85/58/507398558.db2.gz SHUVUMWJHOIQTF-UHFFFAOYSA-N 0 0 355.354 2.552 50 5 FFBARN CCc1ccc([C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)c2cccs2)cc1 ZINC000048224518 507483974 /nfs/dbraw/zinc/48/39/74/507483974.db2.gz MIQYIZQSFPUZTG-MRXNPFEDSA-N 0 0 371.422 2.716 50 5 FFBARN O=C(c1ccccc1)c1ccc(NCC2(O)CCOCC2)c([N+](=O)[O-])c1 ZINC000078440773 507871500 /nfs/dbraw/zinc/87/15/00/507871500.db2.gz PMTSXFWYNWMFAW-UHFFFAOYSA-N 0 0 356.378 2.779 50 5 FFBARN COC(=O)C[C@H](Cc1ccccc1)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000075092417 508081752 /nfs/dbraw/zinc/08/17/52/508081752.db2.gz AWEPGMLFTQBJLY-HNNXBMFYSA-N 0 0 357.366 2.891 50 5 FFBARN Cc1ncc([N+](=O)[O-])n1S(=O)(=O)c1cc(C)c(C)cc1Br ZINC000170615099 509682180 /nfs/dbraw/zinc/68/21/80/509682180.db2.gz KRUVCHGTSAQKLJ-UHFFFAOYSA-N 0 0 374.216 2.716 50 5 FFBARN COC(=O)[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@@H]1C1CC1 ZINC000253419429 509881262 /nfs/dbraw/zinc/88/12/62/509881262.db2.gz RFWYYKQIEVYYSS-KGLIPLIRSA-N 0 0 352.774 2.519 50 5 FFBARN CCOC(=O)c1c([N+](=O)[O-])c(C(C)(C)C)nn1CCO[C@H]1CCCCO1 ZINC000601014551 520595937 /nfs/dbraw/zinc/59/59/37/520595937.db2.gz VBEAKDFRCBWWCF-LBPRGKRZSA-N 0 0 369.418 2.809 50 5 FFBARN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)CC1 ZINC000108468587 570907301 /nfs/dbraw/zinc/90/73/01/570907301.db2.gz BQEWZZCEKPLKQB-FNHZYXHNSA-N 0 0 373.453 2.674 50 5 FFBARN CC(=O)c1cccc(NC(=O)COC(=O)C=Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000006056509 1009631854 /nfs/dbraw/zinc/63/18/54/1009631854.db2.gz GKOSVISCGICGMB-YFHOEESVSA-N 0 0 368.345 2.993 50 5 FFBARN CCc1nnc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c43)C2=O)s1 ZINC000000675385 219312079 /nfs/dbraw/zinc/31/20/79/219312079.db2.gz HECOZUADFCHTPH-UHFFFAOYSA-N 0 0 354.347 2.963 50 5 FFBARN COc1cccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3)n2N)c1 ZINC000001049721 219358280 /nfs/dbraw/zinc/35/82/80/219358280.db2.gz AVRUNJBHFCSUIO-UHFFFAOYSA-N 0 0 357.395 2.868 50 5 FFBARN Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1ccc(F)cc1 ZINC000001064066 219361605 /nfs/dbraw/zinc/36/16/05/219361605.db2.gz OZRQYTMKMOODKZ-UHFFFAOYSA-N 0 0 357.139 2.640 50 5 FFBARN C[C@H](C(=O)Nc1cccc(Cl)c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000001150576 219381357 /nfs/dbraw/zinc/38/13/57/219381357.db2.gz GDJHZUVANXIYDW-SECBINFHSA-N 0 0 373.752 2.871 50 5 FFBARN COC(=O)c1ccc(-n2nnnc2SCc2cccc([N+](=O)[O-])c2)cc1 ZINC000001155340 219382731 /nfs/dbraw/zinc/38/27/31/219382731.db2.gz WKQFLMOAGWVXOG-UHFFFAOYSA-N 0 0 371.378 2.649 50 5 FFBARN O=C(c1cccc([N+](=O)[O-])c1)N1NC2=C(CCCC2)[C@@]1(O)C(F)(F)F ZINC000001212556 219390168 /nfs/dbraw/zinc/39/01/68/219390168.db2.gz JMNAMCJDPQGZKJ-BXUZGUMPSA-N 0 0 357.288 2.848 50 5 FFBARN Cc1ccccc1-c1nc2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2n1 ZINC000001315693 219394713 /nfs/dbraw/zinc/39/47/13/219394713.db2.gz QDIJNJLQEBEUBB-GDNBJRDFSA-N 0 0 364.386 2.582 50 5 FFBARN Cc1cccc(-c2nc3s/c(=C\c4ccccc4[N+](=O)[O-])c(=O)n3n2)c1 ZINC000001313529 219394880 /nfs/dbraw/zinc/39/48/80/219394880.db2.gz CWBMNKZBYYZRAH-GDNBJRDFSA-N 0 0 364.386 2.582 50 5 FFBARN O=C(NC1CC1)[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1Br ZINC000225505147 222847469 /nfs/dbraw/zinc/84/74/69/222847469.db2.gz PUZUKOAZBVKFQL-CYBMUJFWSA-N 0 0 354.204 2.605 50 5 FFBARN COc1ccc(OC)c([C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000002781345 219464291 /nfs/dbraw/zinc/46/42/91/219464291.db2.gz SMFJOJSHMQWUBA-NSHDSACASA-N 0 0 366.395 2.652 50 5 FFBARN O=C(Nc1ccc(F)c(Cl)c1)c1ccn(Cn2cc([N+](=O)[O-])cn2)n1 ZINC000002796990 219465525 /nfs/dbraw/zinc/46/55/25/219465525.db2.gz MVHSSCKWAZDLKJ-UHFFFAOYSA-N 0 0 364.724 2.538 50 5 FFBARN O=C(OCCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000003276538 219496447 /nfs/dbraw/zinc/49/64/47/219496447.db2.gz LTMRCNOHKNMXML-UHFFFAOYSA-N 0 0 374.736 2.701 50 5 FFBARN Cc1c(C(=O)N[C@@H]2CC(=O)N(c3cccc(F)c3)C2)cccc1[N+](=O)[O-] ZINC000004497317 219579739 /nfs/dbraw/zinc/57/97/39/219579739.db2.gz PTCLITYSUNXEPJ-CYBMUJFWSA-N 0 0 357.341 2.578 50 5 FFBARN Nc1nc(Nc2ccc(Cl)cc2)nc(NC[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000005164984 219657233 /nfs/dbraw/zinc/65/72/33/219657233.db2.gz VXQOJNOXJUSIJM-LLVKDONJSA-N 0 0 364.793 2.955 50 5 FFBARN COC(=O)c1ccc(C)c(NC(=O)COc2cc(F)ccc2[N+](=O)[O-])c1 ZINC000005994233 219708847 /nfs/dbraw/zinc/70/88/47/219708847.db2.gz CHUJNJTXXQCCHL-UHFFFAOYSA-N 0 0 362.313 2.846 50 5 FFBARN CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000005966175 219707194 /nfs/dbraw/zinc/70/71/94/219707194.db2.gz GRABYAQRBLXOLY-GFCCVEGCSA-N 0 0 356.334 2.981 50 5 FFBARN Cc1ccc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1[N+](=O)[O-] ZINC000006946285 219784606 /nfs/dbraw/zinc/78/46/06/219784606.db2.gz DVSCSOOMLWUTSB-UHFFFAOYSA-N 0 0 373.321 2.915 50 5 FFBARN CCNC(=O)[C@H]1Cc2ccccc2N1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000010256134 219897909 /nfs/dbraw/zinc/89/79/09/219897909.db2.gz XURUAVUHBHPUTH-ZVBPTUHVSA-N 0 0 365.389 2.702 50 5 FFBARN O=C(Cc1ccccc1[N+](=O)[O-])NCCc1cnn(-c2ccccc2)c1 ZINC000011556163 219921711 /nfs/dbraw/zinc/92/17/11/219921711.db2.gz WYGQJQBEDMHBNY-UHFFFAOYSA-N 0 0 350.378 2.682 50 5 FFBARN O=C(CCn1cnc([N+](=O)[O-])c1)Nc1cc2c(cc1Cl)OCCCO2 ZINC000012525219 220002811 /nfs/dbraw/zinc/00/28/11/220002811.db2.gz JXERZVCSLXKGHK-UHFFFAOYSA-N 0 0 366.761 2.635 50 5 FFBARN CS(=O)(=O)c1ccc(Nc2ccc(N3CCCC3)nc2)c([N+](=O)[O-])c1 ZINC000012558583 220007133 /nfs/dbraw/zinc/00/71/33/220007133.db2.gz UAKGNNKYKXFTHD-UHFFFAOYSA-N 0 0 362.411 2.737 50 5 FFBARN CSc1nc(C)c(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)c(=O)[nH]1 ZINC000012756823 220025880 /nfs/dbraw/zinc/02/58/80/220025880.db2.gz QWEVXUFNEJYKTM-UHFFFAOYSA-N 0 0 362.411 2.588 50 5 FFBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000012806572 220032413 /nfs/dbraw/zinc/03/24/13/220032413.db2.gz QWEFDXOGCPQDNU-UHFFFAOYSA-N 0 0 371.324 2.635 50 5 FFBARN CC1(C)NC(=O)N(CCSc2nc3ccc([N+](=O)[O-])cc3s2)C1=O ZINC000012972647 220047024 /nfs/dbraw/zinc/04/70/24/220047024.db2.gz OBMYBWHASVQWBD-UHFFFAOYSA-N 0 0 366.424 2.627 50 5 FFBARN O=C(Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000012983266 220048087 /nfs/dbraw/zinc/04/80/87/220048087.db2.gz JAAWEVYXTXXRAP-HNNXBMFYSA-N 0 0 369.377 2.756 50 5 FFBARN COc1cc2s/c(=N\C(=O)c3cccc([N+](=O)[O-])c3)n(C)c2cc1OC ZINC000013283907 220063064 /nfs/dbraw/zinc/06/30/64/220063064.db2.gz BNANFRGYFYRXGG-ZCXUNETKSA-N 0 0 373.390 2.906 50 5 FFBARN CS(=O)(=O)c1ccc(Oc2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1 ZINC000014076655 220103631 /nfs/dbraw/zinc/10/36/31/220103631.db2.gz BDSZPUVAKMFGIZ-UHFFFAOYSA-N 0 0 351.336 2.562 50 5 FFBARN O=C(Cc1nn2cnc3ccccc3c2nc1=O)c1ccccc1Cl ZINC000014241046 220118408 /nfs/dbraw/zinc/11/84/08/220118408.db2.gz ZROONTMFLVBZKA-UHFFFAOYSA-N 0 0 350.765 2.717 50 5 FFBARN COC(=O)c1cc(CNC(=O)c2cccc(C)c2[N+](=O)[O-])ccc1OC ZINC000018059219 220221593 /nfs/dbraw/zinc/22/15/93/220221593.db2.gz WFLIBYYPXHQWHN-UHFFFAOYSA-N 0 0 358.350 2.628 50 5 FFBARN Cc1cc(-c2nc(Cn3cnc4ccccc4c3=O)no2)ccc1[N+](=O)[O-] ZINC000021113436 220351544 /nfs/dbraw/zinc/35/15/44/220351544.db2.gz AEDUZJAOOUOYBF-UHFFFAOYSA-N 0 0 363.333 2.711 50 5 FFBARN COc1ccc(OCC2=NN(C(C)=O)[C@@H](c3cccc([N+](=O)[O-])c3)O2)cc1 ZINC000021151671 220354081 /nfs/dbraw/zinc/35/40/81/220354081.db2.gz GBSLLKLETFLYRD-GOSISDBHSA-N 0 0 371.349 2.873 50 5 FFBARN CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)O[C@@H]1COc1ccc(C)cc1 ZINC000021092367 220350436 /nfs/dbraw/zinc/35/04/36/220350436.db2.gz BGBRONAMAWNKHG-QGZVFWFLSA-N 0 0 355.350 2.849 50 5 FFBARN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000024142179 220442774 /nfs/dbraw/zinc/44/27/74/220442774.db2.gz CTXPJDWFTQRMGD-UHFFFAOYSA-N 0 0 373.453 2.779 50 5 FFBARN CC(C)(NC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Br)cc1 ZINC000032399694 220661088 /nfs/dbraw/zinc/66/10/88/220661088.db2.gz HYNXGWPSDFTVCQ-UHFFFAOYSA-N 0 0 367.203 2.605 50 5 FFBARN Cc1cccc(C(=O)NCCc2cc(F)cc3c2OCOC3)c1[N+](=O)[O-] ZINC000041668953 220932703 /nfs/dbraw/zinc/93/27/03/220932703.db2.gz MLZYQPKLTWGXLF-UHFFFAOYSA-N 0 0 360.341 2.881 50 5 FFBARN COc1cccc(CN(C)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000054425061 221052599 /nfs/dbraw/zinc/05/25/99/221052599.db2.gz ZAMVSCTZYUPHNR-UHFFFAOYSA-N 0 0 353.382 2.951 50 5 FFBARN C[C@H](Nc1ccc(CC(=O)N(C)C)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000056171543 221078473 /nfs/dbraw/zinc/07/84/73/221078473.db2.gz OOLORNRLAXTBMW-ZDUSSCGKSA-N 0 0 370.409 2.665 50 5 FFBARN O=C(N[C@@H](CN1CCCC1=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000056481624 221081056 /nfs/dbraw/zinc/08/10/56/221081056.db2.gz IGXIUTLUTHIGJB-KRWDZBQOSA-N 0 0 353.378 2.688 50 5 FFBARN O=C(N[C@@H]1C[C@@H]1c1ccccc1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000067618754 221263637 /nfs/dbraw/zinc/26/36/37/221263637.db2.gz RDYFCQLBHFAJIO-RTBURBONSA-N 0 0 366.421 2.983 50 5 FFBARN O=C(N[C@@H](CN1CCCC1=O)c1ccccc1)c1cc(F)ccc1[N+](=O)[O-] ZINC000068937384 221319478 /nfs/dbraw/zinc/31/94/78/221319478.db2.gz IYRNLBCAYYSNDH-INIZCTEOSA-N 0 0 371.368 2.827 50 5 FFBARN CNC(=O)c1ccc(N2CCC[C@@H](c3nncn3C(C)C)C2)c([N+](=O)[O-])c1 ZINC000089894136 132200429 /nfs/dbraw/zinc/20/04/29/132200429.db2.gz KOFNAVSIKIHEGZ-CQSZACIVSA-N 0 0 372.429 2.511 50 5 FFBARN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2C[C@@H]3CC[C@@H](O)[C@@H]3C2)CC1 ZINC000097107793 132227672 /nfs/dbraw/zinc/22/76/72/132227672.db2.gz BQEWZZCEKPLKQB-POZUXBRTSA-N 0 0 373.453 2.674 50 5 FFBARN O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCN(c2ccccn2)CC1 ZINC000225850916 132286789 /nfs/dbraw/zinc/28/67/89/132286789.db2.gz DSEKMKWBKZVLKM-UHFFFAOYSA-N 0 0 361.789 2.997 50 5 FFBARN CC(=O)c1c(C)n(-c2ccc([N+](=O)[O-])cc2)c(=S)nc1N1CCOCC1 ZINC000001199184 132380970 /nfs/dbraw/zinc/38/09/70/132380970.db2.gz JRSQFXLHMDFYAU-UHFFFAOYSA-N 0 0 374.422 2.858 50 5 FFBARN C[C@@H]1CC[C@H](C(N)=O)CN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000042739822 136121306 /nfs/dbraw/zinc/12/13/06/136121306.db2.gz CJKMKSPUALZAPQ-CJNGLKHVSA-N 0 0 367.405 2.916 50 5 FFBARN COc1ccc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1OC ZINC000055543172 136127030 /nfs/dbraw/zinc/12/70/30/136127030.db2.gz CBJDCNBQAKGPGB-UHFFFAOYSA-N 0 0 357.410 2.934 50 5 FFBARN C[C@@H](CC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000057140758 136128298 /nfs/dbraw/zinc/12/82/98/136128298.db2.gz JVCJHJJXRPZNOT-HNNXBMFYSA-N 0 0 354.410 2.832 50 5 FFBARN COc1ccc(C)cc1[C@]1(C)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000089616394 221741480 /nfs/dbraw/zinc/74/14/80/221741480.db2.gz LFZCJNJSMRCYGR-IBGZPJMESA-N 0 0 369.377 2.879 50 5 FFBARN O=C1[C@H]2ON=C(c3ccccc3Cl)C2=C(O)N1c1cccc([N+](=O)[O-])c1 ZINC000101201653 222265637 /nfs/dbraw/zinc/26/56/37/222265637.db2.gz VFNIMOBWDOSCKR-HIFRSBDPSA-N 0 0 371.736 2.541 50 5 FFBARN Nc1cc(=O)[nH]c(SCc2cc(=O)oc3ccc4ccccc4c23)n1 ZINC000003449534 263329593 /nfs/dbraw/zinc/32/95/93/263329593.db2.gz ZZLFGECKILMNMT-UHFFFAOYSA-N 0 0 351.387 2.904 50 5 FFBARN COc1ccc(OC)c(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)c1 ZINC000000725779 506230302 /nfs/dbraw/zinc/23/03/02/506230302.db2.gz KCAMUKFRTFFPAJ-GDNBJRDFSA-N 0 0 354.318 2.957 50 5 FFBARN Cc1ccc(N2C[C@H](C(=O)OCc3ccc([N+](=O)[O-])cc3)CC2=O)cc1 ZINC000001220090 506256597 /nfs/dbraw/zinc/25/65/97/506256597.db2.gz FRKXMKOEGOYXQT-OAHLLOKOSA-N 0 0 354.362 3.000 50 5 FFBARN COC(=O)c1ccccc1NC(=O)CCCn1nc(C)c([N+](=O)[O-])c1C ZINC000001432139 506262816 /nfs/dbraw/zinc/26/28/16/506262816.db2.gz VVFSCFCPISULEC-UHFFFAOYSA-N 0 0 360.370 2.614 50 5 FFBARN COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000001464520 506264485 /nfs/dbraw/zinc/26/44/85/506264485.db2.gz KCEGUEFIAVHRBT-OAHLLOKOSA-N 0 0 357.322 2.656 50 5 FFBARN O=C(COc1ccc([N+](=O)[O-])cc1)OCCOc1ccc([N+](=O)[O-])cc1 ZINC000002026386 506270977 /nfs/dbraw/zinc/27/09/77/506270977.db2.gz HIPMJAWZQJMSEJ-UHFFFAOYSA-N 0 0 362.294 2.504 50 5 FFBARN CCOC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000002753452 506289397 /nfs/dbraw/zinc/28/93/97/506289397.db2.gz HWIGIRUJTQCXDA-UHFFFAOYSA-N 0 0 359.294 2.932 50 5 FFBARN Cc1nn(Cc2nc3c4c(C)c(C)sc4ncn3n2)c(C)c1[N+](=O)[O-] ZINC000002807954 506294442 /nfs/dbraw/zinc/29/44/42/506294442.db2.gz AQTWEJHCQODRCZ-UHFFFAOYSA-N 0 0 357.399 2.726 50 5 FFBARN Cc1[nH]c2ccccc2c1C(=O)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000032914263 506311191 /nfs/dbraw/zinc/31/11/91/506311191.db2.gz MOTMWHTZOFTSNZ-UHFFFAOYSA-N 0 0 366.377 2.796 50 5 FFBARN COC(=O)c1cc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2)cc([N+](=O)[O-])c1 ZINC000003513578 506338227 /nfs/dbraw/zinc/33/82/27/506338227.db2.gz KOSNSGYJAWYSTE-NSHDSACASA-N 0 0 372.333 2.565 50 5 FFBARN Cc1ccc(Cl)cc1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000003602286 506345767 /nfs/dbraw/zinc/34/57/67/506345767.db2.gz CZYFKRHTTDIPOD-UHFFFAOYSA-N 0 0 373.752 2.791 50 5 FFBARN O=C(Cn1cnc2c3ccccc3oc2c1=O)Nc1cccc([N+](=O)[O-])c1 ZINC000004167549 506364688 /nfs/dbraw/zinc/36/46/88/506364688.db2.gz AYPWEGJZXSDWJA-UHFFFAOYSA-N 0 0 364.317 2.690 50 5 FFBARN C[C@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccco1 ZINC000004219389 506366371 /nfs/dbraw/zinc/36/63/71/506366371.db2.gz VLJVMVYVIJDSBT-NSHDSACASA-N 0 0 364.379 2.528 50 5 FFBARN O=[N+]([O-])c1ccc(N2CCOCC2)cc1N1CCN(c2ccccc2)CC1 ZINC000004687444 506388718 /nfs/dbraw/zinc/38/87/18/506388718.db2.gz PASCVGLRRTYFNK-UHFFFAOYSA-N 0 0 368.437 2.758 50 5 FFBARN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN(CCc2ccccc2)CC1 ZINC000004750538 506393812 /nfs/dbraw/zinc/39/38/12/506393812.db2.gz XAASGHUVBZPOLC-UHFFFAOYSA-N 0 0 354.410 2.987 50 5 FFBARN O=C(CSc1nnc(-c2cccnc2)o1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004903824 506404441 /nfs/dbraw/zinc/40/44/41/506404441.db2.gz ZVFFZEBWKOOBPQ-UHFFFAOYSA-N 0 0 357.351 2.771 50 5 FFBARN CCOC(=O)CNc1cc(NCc2ccccc2)c([N+](=O)[O-])c2nonc21 ZINC000004898447 506404451 /nfs/dbraw/zinc/40/44/51/506404451.db2.gz LPKBSQVQUDXAJP-UHFFFAOYSA-N 0 0 371.353 2.718 50 5 FFBARN COC(=O)c1ccc(Cn2nc([N+](=O)[O-])c(Br)c2C)cc1 ZINC000004898308 506404509 /nfs/dbraw/zinc/40/45/09/506404509.db2.gz FSOUCXGUESSIQR-UHFFFAOYSA-N 0 0 354.160 2.697 50 5 FFBARN O=C(c1c(F)cccc1F)N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000004959758 506409050 /nfs/dbraw/zinc/40/90/50/506409050.db2.gz DGGGZADENCYBGS-UHFFFAOYSA-N 0 0 365.311 2.975 50 5 FFBARN O=C(CSc1ncn(-c2ccccc2)n1)Nc1ccc([N+](=O)[O-])cc1 ZINC000005014264 506413654 /nfs/dbraw/zinc/41/36/54/506413654.db2.gz WQTQORXDFXNORH-UHFFFAOYSA-N 0 0 355.379 2.906 50 5 FFBARN COc1ccccc1N1C[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000005028132 506416218 /nfs/dbraw/zinc/41/62/18/506416218.db2.gz ZOPLBMJPCANAIR-GFCCVEGCSA-N 0 0 355.350 2.595 50 5 FFBARN O=c1ccc(-c2ccc3c(c2)OCO3)nn1Cc1cccc([N+](=O)[O-])c1 ZINC000005398589 506439207 /nfs/dbraw/zinc/43/92/07/506439207.db2.gz HZJKTOQJZFCMKO-UHFFFAOYSA-N 0 0 351.318 2.596 50 5 FFBARN CC(=O)N(C)c1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000005498694 506446488 /nfs/dbraw/zinc/44/64/88/506446488.db2.gz MSBSMIAOPUQONX-UHFFFAOYSA-N 0 0 372.406 2.704 50 5 FFBARN NC(=O)c1ccsc1NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000005893781 506460523 /nfs/dbraw/zinc/46/05/23/506460523.db2.gz DCCVTGPGXADQAC-UHFFFAOYSA-N 0 0 374.422 2.998 50 5 FFBARN O=[N+]([O-])c1ccccc1OCc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000040114169 506468059 /nfs/dbraw/zinc/46/80/59/506468059.db2.gz ISXUWJSZSIMQRI-UHFFFAOYSA-N 0 0 352.368 2.551 50 5 FFBARN O=C(COC(=O)Cc1c[nH]c2ccccc12)Nc1cc([N+](=O)[O-])ccc1F ZINC000006384252 506480782 /nfs/dbraw/zinc/48/07/82/506480782.db2.gz PFBVUWSMEOCBTL-UHFFFAOYSA-N 0 0 371.324 2.940 50 5 FFBARN CCOC(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000006848274 506511724 /nfs/dbraw/zinc/51/17/24/506511724.db2.gz AQQAOTGMHKWVPT-UHFFFAOYSA-N 0 0 351.336 2.539 50 5 FFBARN O=C(Nc1cnn(Cc2ccccc2F)c1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC000007077752 506532834 /nfs/dbraw/zinc/53/28/34/506532834.db2.gz YHPLIJDSUIBLAF-UHFFFAOYSA-N 0 0 364.724 2.608 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(C(=O)c2ccco2)CC1 ZINC000008246465 506634738 /nfs/dbraw/zinc/63/47/38/506634738.db2.gz WNNNDEDLUKGYBX-UHFFFAOYSA-N 0 0 373.365 2.687 50 5 FFBARN COC(=O)[C@@H]1CCc2nc3scc(-c4ccc([N+](=O)[O-])cc4)c3c(=O)n21 ZINC000008382577 506648285 /nfs/dbraw/zinc/64/82/85/506648285.db2.gz AOJQFQYHAJXBSG-LBPRGKRZSA-N 0 0 371.374 2.694 50 5 FFBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1nc[nH]c1C(=O)NC1CCCCC1 ZINC000008683310 506662746 /nfs/dbraw/zinc/66/27/46/506662746.db2.gz ZEOLQVBAXYCROP-UHFFFAOYSA-N 0 0 357.370 2.633 50 5 FFBARN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)Nc1ccc(Cl)cc1 ZINC000008855860 506670880 /nfs/dbraw/zinc/67/08/80/506670880.db2.gz YQLBYXPTWLISBP-UHFFFAOYSA-N 0 0 361.741 2.612 50 5 FFBARN CCCOc1ccccc1NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000008884177 506672565 /nfs/dbraw/zinc/67/25/65/506672565.db2.gz AMIDQLHHEVQCHE-UHFFFAOYSA-N 0 0 371.349 2.930 50 5 FFBARN COC(=O)c1ccc(O[C@@H](C)c2nc3ccccc3c(=O)[nH]2)c([N+](=O)[O-])c1 ZINC000009596668 506705880 /nfs/dbraw/zinc/70/58/80/506705880.db2.gz HNHKLWBMTGXYRM-JTQLQIEISA-N 0 0 369.333 2.758 50 5 FFBARN O=[N+]([O-])c1cc(-c2noc(-c3ccccn3)n2)ccc1N1CCOCC1 ZINC000009669048 506707349 /nfs/dbraw/zinc/70/73/49/506707349.db2.gz IRLHZCVWRRERHI-UHFFFAOYSA-N 0 0 353.338 2.543 50 5 FFBARN O=C(COCc1ccccc1Cl)NCCNc1ccccc1[N+](=O)[O-] ZINC000044354443 506839146 /nfs/dbraw/zinc/83/91/46/506839146.db2.gz RTBUNPLJJWRJRT-UHFFFAOYSA-N 0 0 363.801 2.993 50 5 FFBARN CC(=O)c1ccc(NCc2ccc(N3CCOCC3)nc2)c([N+](=O)[O-])c1 ZINC000012823354 506908022 /nfs/dbraw/zinc/90/80/22/506908022.db2.gz KGCRODSOXGYLJQ-UHFFFAOYSA-N 0 0 356.382 2.641 50 5 FFBARN Cc1ccc(S(=O)(=O)c2ccc(Cn3nccc3[N+](=O)[O-])cc2)cc1 ZINC000047169529 507275729 /nfs/dbraw/zinc/27/57/29/507275729.db2.gz BTAIGIZOSFDMEH-UHFFFAOYSA-N 0 0 357.391 2.981 50 5 FFBARN Cc1cc(C)cc(OCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000023143526 507333603 /nfs/dbraw/zinc/33/36/03/507333603.db2.gz KVKYEKWKYRPBPT-UHFFFAOYSA-N 0 0 350.396 2.569 50 5 FFBARN CCc1cc2c(ncnc2N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000024060902 507390079 /nfs/dbraw/zinc/39/00/79/507390079.db2.gz AQQIGBDKEACOEU-HUUCEWRRSA-N 0 0 374.422 2.668 50 5 FFBARN Cc1cc(C)n(CCCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)n1 ZINC000024177883 507397079 /nfs/dbraw/zinc/39/70/79/507397079.db2.gz NYRYUYSSRXSTPU-UHFFFAOYSA-N 0 0 371.441 2.828 50 5 FFBARN CNc1ccc(C(=O)NC[C@@H](c2ccccc2OC)N(C)C)cc1[N+](=O)[O-] ZINC000027569366 507666033 /nfs/dbraw/zinc/66/60/33/507666033.db2.gz SCFUPTXDYUCQLL-KRWDZBQOSA-N 0 0 372.425 2.678 50 5 FFBARN COC(=O)[C@@H](C)[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000072310573 507775014 /nfs/dbraw/zinc/77/50/14/507775014.db2.gz HVJBRRRDWRNNBG-SCLBCKFNSA-N 0 0 372.377 2.640 50 5 FFBARN COc1ccc(CCNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000031213607 507818211 /nfs/dbraw/zinc/81/82/11/507818211.db2.gz GJNBHNQJKCVQFJ-UHFFFAOYSA-N 0 0 366.377 2.762 50 5 FFBARN O=C(NC[C@H]1Cc2ccccc2O1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000031370780 507819247 /nfs/dbraw/zinc/81/92/47/507819247.db2.gz HCERQWIODRUQJD-MRXNPFEDSA-N 0 0 364.361 2.514 50 5 FFBARN Cc1cccc([N+](=O)[O-])c1NC(=O)Cn1cccc(C(F)(F)F)c1=O ZINC000031813401 507821878 /nfs/dbraw/zinc/82/18/78/507821878.db2.gz MWUDZPHEBLQHMF-UHFFFAOYSA-N 0 0 355.272 2.722 50 5 FFBARN CSc1nnnn1-c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000031915599 507822342 /nfs/dbraw/zinc/82/23/42/507822342.db2.gz BFLXKDHHQOPUAT-UHFFFAOYSA-N 0 0 370.394 2.853 50 5 FFBARN Cn1cc(CCOC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cn1 ZINC000095959793 508200196 /nfs/dbraw/zinc/20/01/96/508200196.db2.gz MIZQJLWYTIMGIJ-UHFFFAOYSA-N 0 0 358.379 2.851 50 5 FFBARN O=C(NC[C@H]1COC2(CCCCC2)O1)c1cc(F)c([N+](=O)[O-])cc1F ZINC000123670181 508722914 /nfs/dbraw/zinc/72/29/14/508722914.db2.gz ZDOSBBAKFWMOKU-JTQLQIEISA-N 0 0 356.325 2.679 50 5 FFBARN C[C@@H]1CN(C[C@H]2CCCN2C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000229657174 509427276 /nfs/dbraw/zinc/42/72/76/509427276.db2.gz HPGJFSQSGOEBLG-CKEIUWERSA-N 0 0 362.430 2.700 50 5 FFBARN COc1ccc([N+](=O)[O-])c(N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)c1 ZINC000252584436 509853538 /nfs/dbraw/zinc/85/35/38/509853538.db2.gz AKLMTCGIMJQNNS-PMACEKPBSA-N 0 0 369.421 2.693 50 5 FFBARN Cn1c(=N)n(CC(=O)c2cccc([N+](=O)[O-])c2)cc1-c1ccc(F)cc1 ZINC000334157573 527019913 /nfs/dbraw/zinc/01/99/13/527019913.db2.gz NHBUCKKXJSRMRD-UHFFFAOYSA-N 0 0 354.341 2.903 50 5 FFBARN CC(C)NC(=O)COC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000004835432 535271472 /nfs/dbraw/zinc/27/14/72/535271472.db2.gz FOYMOMQGZLSIAJ-UHFFFAOYSA-N 0 0 363.414 2.513 50 5 FFBARN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCOCC1 ZINC000001151320 219381465 /nfs/dbraw/zinc/38/14/65/219381465.db2.gz BBQPVCOPUSTFPN-UHFFFAOYSA-N 0 0 350.318 2.565 50 5 FFBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(Br)cn1 ZINC000001208113 219389668 /nfs/dbraw/zinc/38/96/68/219389668.db2.gz XCLUGVBCJSCRNT-UHFFFAOYSA-N 0 0 352.144 2.770 50 5 FFBARN CC(=O)Nc1ccc2c(COC(=O)c3ccc([N+](=O)[O-])o3)cc(=O)oc2c1 ZINC000003348041 219502812 /nfs/dbraw/zinc/50/28/12/219502812.db2.gz MATOTIRIBWBBIW-UHFFFAOYSA-N 0 0 372.289 2.610 50 5 FFBARN C[C@H]1C[C@H](C)CN(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000003314672 219498797 /nfs/dbraw/zinc/49/87/97/219498797.db2.gz PQMSJLGHMCHRNX-QWRGUYRKSA-N 0 0 354.790 2.910 50 5 FFBARN COc1cc(C(=O)O[C@H](C)C(=O)Nc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000003498246 219514436 /nfs/dbraw/zinc/51/44/36/219514436.db2.gz KTXOOBZEARTEPT-LLVKDONJSA-N 0 0 374.349 2.796 50 5 FFBARN CNC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 ZINC000004006632 219533013 /nfs/dbraw/zinc/53/30/13/219533013.db2.gz PRLQWEKGEUKOAE-ANCGMVAHSA-N 0 0 371.437 2.656 50 5 FFBARN O=C(Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1cc2ccccc2oc1=O ZINC000004810737 219608748 /nfs/dbraw/zinc/60/87/48/219608748.db2.gz AHNBCWQGYNNGIR-UHFFFAOYSA-N 0 0 354.274 2.682 50 5 FFBARN COc1ccc(CN(C2CC2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000008058112 219843322 /nfs/dbraw/zinc/84/33/22/219843322.db2.gz MHNCJCADQXPIGX-UHFFFAOYSA-N 0 0 362.407 2.957 50 5 FFBARN Cc1nn(Cc2ccc(C(=O)NCc3ccco3)cc2)c(C)c1[N+](=O)[O-] ZINC000007910700 219834134 /nfs/dbraw/zinc/83/41/34/219834134.db2.gz GVXOZNJXMCPIRX-UHFFFAOYSA-N 0 0 354.366 2.979 50 5 FFBARN Cc1cc(OCC(=O)Nc2cccc(C(=O)NC3CC3)c2)ccc1[N+](=O)[O-] ZINC000009335577 219878142 /nfs/dbraw/zinc/87/81/42/219878142.db2.gz AEZXRHJQZRCUOT-UHFFFAOYSA-N 0 0 369.377 2.813 50 5 FFBARN O=C(CNc1ccccc1N1CCCC1=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000012517016 220001795 /nfs/dbraw/zinc/00/17/95/220001795.db2.gz MXTINLUKUGDQCG-UHFFFAOYSA-N 0 0 354.366 2.772 50 5 FFBARN O=C(COc1cccnc1[N+](=O)[O-])Nc1ccc(OC(F)(F)F)cc1 ZINC000012533277 220004011 /nfs/dbraw/zinc/00/40/11/220004011.db2.gz SADXVZXXKHMBCI-UHFFFAOYSA-N 0 0 357.244 2.906 50 5 FFBARN O=[N+]([O-])c1cc(CN2CCN(c3ccccc3F)CC2)c2c(c1)COCO2 ZINC000012562890 220007918 /nfs/dbraw/zinc/00/79/18/220007918.db2.gz CPZWGLXFLLNXEU-UHFFFAOYSA-N 0 0 373.384 2.923 50 5 FFBARN C[C@H](OC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(=O)c1ccc(F)c(F)c1 ZINC000016207995 220180367 /nfs/dbraw/zinc/18/03/67/220180367.db2.gz OVRGVNXYFHJPKW-QMMMGPOBSA-N 0 0 350.277 2.883 50 5 FFBARN O=C(NCCc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000018073359 220223887 /nfs/dbraw/zinc/22/38/87/220223887.db2.gz DRXJSFVXLCBKPY-UHFFFAOYSA-N 0 0 362.769 2.992 50 5 FFBARN O=[N+]([O-])c1c[nH]nc1N1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000022276615 220380948 /nfs/dbraw/zinc/38/09/48/220380948.db2.gz QWISKQREOXGHHP-UHFFFAOYSA-N 0 0 356.213 2.947 50 5 FFBARN CC(C)(C)NS(=O)(=O)c1cccc(Nc2ccc([N+](=O)[O-])cn2)c1 ZINC000032899406 220692841 /nfs/dbraw/zinc/69/28/41/220692841.db2.gz XGFWBEOBMFZTJD-UHFFFAOYSA-N 0 0 350.400 2.810 50 5 FFBARN Cc1c(CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)cccc1[N+](=O)[O-] ZINC000040116445 220883382 /nfs/dbraw/zinc/88/33/82/220883382.db2.gz MEILLDTXXUMGHS-IBGZPJMESA-N 0 0 367.361 2.633 50 5 FFBARN Cn1c(SCCOc2ccccc2[N+](=O)[O-])nnc1-c1cccnc1 ZINC000053427421 221046105 /nfs/dbraw/zinc/04/61/05/221046105.db2.gz IPDNRGWVRAGWKA-UHFFFAOYSA-N 0 0 357.395 2.956 50 5 FFBARN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(C2CCCCCC2)CC1 ZINC000054992020 221056386 /nfs/dbraw/zinc/05/63/86/221056386.db2.gz WGDVRUYLGHFKSJ-UHFFFAOYSA-N 0 0 367.471 2.624 50 5 FFBARN Cc1cc(=O)oc2cc(NCc3ccc(C(N)=O)cc3[N+](=O)[O-])ccc12 ZINC000056163975 221077967 /nfs/dbraw/zinc/07/79/67/221077967.db2.gz HWASUHGBKPNSEN-UHFFFAOYSA-N 0 0 353.334 2.721 50 5 FFBARN Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccc(N2CCC(C)=N2)cc1 ZINC000056220030 221079313 /nfs/dbraw/zinc/07/93/13/221079313.db2.gz ZDKAOTHMYALWRZ-UHFFFAOYSA-N 0 0 357.370 2.543 50 5 FFBARN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCc2c1cccc2Cl ZINC000057147352 221083665 /nfs/dbraw/zinc/08/36/65/221083665.db2.gz AMAYJPCADBLCOU-ZDUSSCGKSA-N 0 0 367.814 2.995 50 5 FFBARN CCc1cc(Nc2cnn(CCO)c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000057148983 221084100 /nfs/dbraw/zinc/08/41/00/221084100.db2.gz FQZRDDQAQUPCPD-UHFFFAOYSA-N 0 0 354.370 2.547 50 5 FFBARN COc1cc(CCNC(=O)[C@H](C)OCCC(C)C)c([N+](=O)[O-])cc1OC ZINC000057993955 221096387 /nfs/dbraw/zinc/09/63/87/221096387.db2.gz LMCPHAZWLLOKSM-ZDUSSCGKSA-N 0 0 368.430 2.722 50 5 FFBARN O=C(Cc1ccc([N+](=O)[O-])cc1)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC000058135661 221099752 /nfs/dbraw/zinc/09/97/52/221099752.db2.gz FXZXWFOVEVYGIQ-UHFFFAOYSA-N 0 0 373.453 2.825 50 5 FFBARN Cc1cccc(C(=O)NCc2ccccc2N2CCOCC2)c1[N+](=O)[O-] ZINC000065533947 221232773 /nfs/dbraw/zinc/23/27/73/221232773.db2.gz AMIBEXWLAGFXFZ-UHFFFAOYSA-N 0 0 355.394 2.670 50 5 FFBARN CCOCCN1CCN(c2cc(OC)c([N+](=O)[O-])cc2F)C[C@@H]1CC ZINC000089949234 132200925 /nfs/dbraw/zinc/20/09/25/132200925.db2.gz RNSPHRXIZOVOLO-ZDUSSCGKSA-N 0 0 355.410 2.680 50 5 FFBARN C[C@H]1CCN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)OC(C)(C)OC3=O)[C@H]2C1 ZINC000245324822 132376511 /nfs/dbraw/zinc/37/65/11/132376511.db2.gz ACHWJVLPCCQNFU-XHDPSFHLSA-N 0 0 374.393 2.578 50 5 FFBARN O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCC[C@H](O)C1 ZINC000040071364 136119211 /nfs/dbraw/zinc/11/92/11/136119211.db2.gz XDBKVWGNEBQJFJ-JTQLQIEISA-N 0 0 352.188 2.867 50 5 FFBARN O=C(Cc1noc2ccccc21)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000048306326 136123294 /nfs/dbraw/zinc/12/32/94/136123294.db2.gz XOHNNXSXOKLORR-UHFFFAOYSA-N 0 0 366.377 2.627 50 5 FFBARN O=[N+]([O-])c1ccc(N2CCN(Cc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000057354977 136128741 /nfs/dbraw/zinc/12/87/41/136128741.db2.gz NPSSNMJCRITQNC-UHFFFAOYSA-N 0 0 355.394 2.688 50 5 FFBARN O=[N+]([O-])c1cc(CN2CCN(c3ccccc3)CC2)c2c(c1)COCO2 ZINC000057438397 136129357 /nfs/dbraw/zinc/12/93/57/136129357.db2.gz NTCMCPGOSKJUQF-UHFFFAOYSA-N 0 0 355.394 2.784 50 5 FFBARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000100001908 222231570 /nfs/dbraw/zinc/23/15/70/222231570.db2.gz PVHUJELLJLJGLN-MRXNPFEDSA-N 0 0 360.366 2.566 50 5 world FFBARN O=C1[C@@H]2ON=C(c3ccc([N+](=O)[O-])cc3)C2=C(O)N1c1ccc(Cl)cc1 ZINC000103608098 222339929 /nfs/dbraw/zinc/33/99/29/222339929.db2.gz TXQJNUPPOMOQKK-UKRRQHHQSA-N 0 0 371.736 2.541 50 5 FFBARN COc1cc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc([N+](=O)[O-])c1 ZINC000000676241 506228006 /nfs/dbraw/zinc/22/80/06/506228006.db2.gz OICVUWVGICNGFJ-UHFFFAOYSA-N 0 0 362.338 2.882 50 5 FFBARN CCN(Cc1cccs1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000032415477 506251204 /nfs/dbraw/zinc/25/12/04/506251204.db2.gz XPQCMYNQFKJEBZ-UHFFFAOYSA-N 0 0 356.425 2.876 50 5 FFBARN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(Cc1ccco1)C1CC1 ZINC000032415991 506251516 /nfs/dbraw/zinc/25/15/16/506251516.db2.gz HIZRFCGPXDCSQF-UHFFFAOYSA-N 0 0 352.368 2.550 50 5 FFBARN COc1ccc(CCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000001174749 506254003 /nfs/dbraw/zinc/25/40/03/506254003.db2.gz IXISDDICFMADHM-UXBLZVDNSA-N 0 0 356.378 2.984 50 5 FFBARN Cc1ccc(N2C[C@@H](C(=O)OCc3ccc([N+](=O)[O-])cc3)CC2=O)cc1 ZINC000001220089 506256189 /nfs/dbraw/zinc/25/61/89/506256189.db2.gz FRKXMKOEGOYXQT-HNNXBMFYSA-N 0 0 354.362 3.000 50 5 FFBARN Cc1nn(CC(=O)NCc2cc(C)nc3ccccc23)c(C)c1[N+](=O)[O-] ZINC000001423681 506262870 /nfs/dbraw/zinc/26/28/70/506262870.db2.gz CNDCJFZFIJPIIM-UHFFFAOYSA-N 0 0 353.382 2.581 50 5 FFBARN COC(=O)CCN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccn1 ZINC000001802525 506267978 /nfs/dbraw/zinc/26/79/78/506267978.db2.gz ZHKTUCMMYLVJAR-UHFFFAOYSA-N 0 0 363.757 2.853 50 5 FFBARN O=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)Nc1ccccc1Cl ZINC000002622678 506284959 /nfs/dbraw/zinc/28/49/59/506284959.db2.gz CGGURWZBYVBPJS-UHFFFAOYSA-N 0 0 358.741 2.597 50 5 FFBARN Cc1nn(CC(=O)NCc2cccc(C(F)(F)F)c2)c(C)c1[N+](=O)[O-] ZINC000002760217 506289268 /nfs/dbraw/zinc/28/92/68/506289268.db2.gz DYUPVZRYCQXXEV-UHFFFAOYSA-N 0 0 356.304 2.743 50 5 FFBARN CCc1c(C)sc2ncn3nc(CCn4nc([N+](=O)[O-])cc4C)nc3c12 ZINC000002809482 506297328 /nfs/dbraw/zinc/29/73/28/506297328.db2.gz FYNGSADFMYMMRL-UHFFFAOYSA-N 0 0 371.426 2.866 50 5 FFBARN COCCOCCCNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000032829152 506300317 /nfs/dbraw/zinc/30/03/17/506300317.db2.gz YSYDJMUXTQCYHV-UHFFFAOYSA-N 0 0 367.280 2.987 50 5 FFBARN Cc1ccc(N(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]2C=CS(=O)(=O)C2)cc1 ZINC000003173597 506311828 /nfs/dbraw/zinc/31/18/28/506311828.db2.gz NLYIDGYGOJUKMH-KRWDZBQOSA-N 0 0 372.402 2.861 50 5 FFBARN COc1ccc(C=O)cc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000032919311 506313254 /nfs/dbraw/zinc/31/32/54/506313254.db2.gz QOWWWBHGGSQJQJ-UHFFFAOYSA-N 0 0 355.394 2.738 50 5 FFBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCC(=O)Nc1ccc2c(c1)OCO2 ZINC000003275700 506318837 /nfs/dbraw/zinc/31/88/37/506318837.db2.gz QQSOIOXLTIDWMH-FPYGCLRLSA-N 0 0 370.317 2.519 50 5 FFBARN COc1ccc(C(=O)OCC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1[N+](=O)[O-] ZINC000003391144 506327357 /nfs/dbraw/zinc/32/73/57/506327357.db2.gz VQUWMVKBZOJYAH-UHFFFAOYSA-N 0 0 374.349 2.791 50 5 FFBARN COc1ccccc1/C=C1\N=C(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)OC1=O ZINC000003657457 506349854 /nfs/dbraw/zinc/34/98/54/506349854.db2.gz RGLHYWCEJKSGKZ-ZSOIEALJSA-N 0 0 369.289 2.856 50 5 FFBARN Cc1ccccc1-n1ncc2c1ncn(Cc1ccc([N+](=O)[O-])cc1)c2=O ZINC000004479057 506376195 /nfs/dbraw/zinc/37/61/95/506376195.db2.gz RYDVCHLXIKWOEP-UHFFFAOYSA-N 0 0 361.361 2.847 50 5 FFBARN O=C(NC(=S)N=c1[nH]c2ccccc2s1)c1ccccc1[N+](=O)[O-] ZINC000004520463 506380983 /nfs/dbraw/zinc/38/09/83/506380983.db2.gz IAZYYBCDMRWTDR-UHFFFAOYSA-N 0 0 358.404 2.753 50 5 FFBARN O=C1CCCC(=O)N1c1ccc(NCCc2ccc(O)cc2)c([N+](=O)[O-])c1 ZINC000004684544 506388286 /nfs/dbraw/zinc/38/82/86/506388286.db2.gz MYPPIYLJOFHHHE-UHFFFAOYSA-N 0 0 369.377 2.999 50 5 FFBARN COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccc([N+](=O)[O-])cc1OC ZINC000004794600 506395020 /nfs/dbraw/zinc/39/50/20/506395020.db2.gz XWIVCJAERNSSLQ-INIZCTEOSA-N 0 0 360.322 2.902 50 5 FFBARN C[C@@H]1C[C@H](C)CN(c2c([N+](=O)[O-])nn(-c3ccc(Cl)cc3)[n+]2[O-])C1 ZINC000004923127 506406720 /nfs/dbraw/zinc/40/67/20/506406720.db2.gz ATULDVMPMCBUKH-PHIMTYICSA-N 0 0 351.794 2.550 50 5 FFBARN CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)NC(=O)N1 ZINC000006046886 506465220 /nfs/dbraw/zinc/46/52/20/506465220.db2.gz NIZCLMPPFNTJLT-INIZCTEOSA-N 0 0 352.350 2.861 50 5 FFBARN CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000040155565 506476125 /nfs/dbraw/zinc/47/61/25/506476125.db2.gz CEMNVEGBAZLCHF-ZDUSSCGKSA-N 0 0 371.315 2.885 50 5 FFBARN O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1ccsc1-n1cccc1 ZINC000040155793 506476250 /nfs/dbraw/zinc/47/62/50/506476250.db2.gz VEKJIMYDMUDDEL-UHFFFAOYSA-N 0 0 363.420 2.926 50 5 FFBARN CON(C)C(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000040566565 506484418 /nfs/dbraw/zinc/48/44/18/506484418.db2.gz YLEOFNJZGIPYFE-SNVBAGLBSA-N 0 0 361.320 2.850 50 5 FFBARN O=C(CCCN1C(=O)c2ccccc2C1=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000006602768 506490912 /nfs/dbraw/zinc/49/09/12/506490912.db2.gz RMYNLSJPVAVYAM-UHFFFAOYSA-N 0 0 368.345 2.714 50 5 FFBARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000007168676 506540217 /nfs/dbraw/zinc/54/02/17/506540217.db2.gz QRDKQTJVNGWWIV-LBPRGKRZSA-N 0 0 355.350 2.738 50 5 FFBARN Cc1cc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)c(C)n1C ZINC000007782048 506588758 /nfs/dbraw/zinc/58/87/58/506588758.db2.gz RFSNFFZDWSPENT-UHFFFAOYSA-N 0 0 359.382 2.656 50 5 FFBARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000008055581 506618011 /nfs/dbraw/zinc/61/80/11/506618011.db2.gz XCCZXZNJVFGKTM-KBPBESRZSA-N 0 0 367.471 2.862 50 5 FFBARN COc1cccc(N2C[C@H](C(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)c1 ZINC000008247516 506635381 /nfs/dbraw/zinc/63/53/81/506635381.db2.gz ROSYEPLEFSKFDZ-GFCCVEGCSA-N 0 0 355.350 2.595 50 5 FFBARN COc1cccc([C@]2(C)NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000008327720 506643835 /nfs/dbraw/zinc/64/38/35/506643835.db2.gz HTZJEDRWVAPXIP-SFHVURJKSA-N 0 0 355.350 2.571 50 5 FFBARN COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1c(C)oc(C)c1C ZINC000008420001 506649742 /nfs/dbraw/zinc/64/97/42/506649742.db2.gz REAKIHFKTZMHHY-UHFFFAOYSA-N 0 0 362.338 2.917 50 5 FFBARN COc1ccc(N2C[C@H](C(=O)Nc3cc([N+](=O)[O-])ccc3F)CC2=O)cc1 ZINC000008473891 506653018 /nfs/dbraw/zinc/65/30/18/506653018.db2.gz JRTGVQWMQUNIMO-LLVKDONJSA-N 0 0 373.340 2.734 50 5 FFBARN O=C(Cn1cnc2c3ccccc3oc2c1=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000008520260 506657339 /nfs/dbraw/zinc/65/73/39/506657339.db2.gz OYJKCDCMNYEXJW-UHFFFAOYSA-N 0 0 364.317 2.690 50 5 FFBARN O=C(COc1ccc([N+](=O)[O-])cc1)NCCc1ccc(OC(F)F)cc1 ZINC000008707242 506662717 /nfs/dbraw/zinc/66/27/17/506662717.db2.gz SDNNSFRSSNUFDP-UHFFFAOYSA-N 0 0 366.320 2.934 50 5 FFBARN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccsc2)CC1 ZINC000008750362 506665601 /nfs/dbraw/zinc/66/56/01/506665601.db2.gz QERWAZKLACDXHA-CQSZACIVSA-N 0 0 374.466 2.801 50 5 FFBARN CC(=O)c1oc2ccccc2c1NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000008772583 506669111 /nfs/dbraw/zinc/66/91/11/506669111.db2.gz QKTHQOCAJGYSKC-UHFFFAOYSA-N 0 0 356.338 2.996 50 5 FFBARN CCN1C[C@H](CN(C)C(=O)c2ccc(N)c([N+](=O)[O-])c2)Oc2ccccc21 ZINC000009117715 506682870 /nfs/dbraw/zinc/68/28/70/506682870.db2.gz ZDBRJUPIVAJRIY-AWEZNQCLSA-N 0 0 370.409 2.537 50 5 FFBARN Cc1cc(C(=O)Nc2ccc(-c3ccc(=O)n(C)n3)cc2)ccc1[N+](=O)[O-] ZINC000010325319 506737940 /nfs/dbraw/zinc/73/79/40/506737940.db2.gz HPPCDRFKELGFEV-UHFFFAOYSA-N 0 0 364.361 2.916 50 5 FFBARN Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000012446598 506866515 /nfs/dbraw/zinc/86/65/15/506866515.db2.gz PSCGAQUMBYFDFM-UHFFFAOYSA-N 0 0 351.366 2.724 50 5 FFBARN CNC(=O)/C(=C/C=C/c1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000012561904 506879658 /nfs/dbraw/zinc/87/96/58/506879658.db2.gz ABADOHGDUGWOCM-WIXUPIFPSA-N 0 0 351.362 2.668 50 5 FFBARN O=[N+]([O-])c1ccc(-c2ncn(C[C@@H](O)COCc3ccccc3F)n2)cc1 ZINC000046060848 507071566 /nfs/dbraw/zinc/07/15/66/507071566.db2.gz UPOBJOCLFMGDAQ-MRXNPFEDSA-N 0 0 372.356 2.570 50 5 FFBARN Nc1c(C(=O)NCc2ccccc2N2CCCC2)cc(F)cc1[N+](=O)[O-] ZINC000057250159 507217967 /nfs/dbraw/zinc/21/79/67/507217967.db2.gz PGEOTCOGNIINOR-UHFFFAOYSA-N 0 0 358.373 2.846 50 5 FFBARN C[NH+]1CCN(CCCn2c(=O)c3cc4ccccc4cc3[n-]c2=S)CC1 ZINC000020644356 507229241 /nfs/dbraw/zinc/22/92/41/507229241.db2.gz MAGSNCZTIISPQJ-UHFFFAOYSA-N 0 0 368.506 2.850 50 5 FFBARN COc1ccc(OC)c2c1CN(C(=O)Nc1cccc([N+](=O)[O-])c1)C[C@H]2O ZINC000024238126 507399552 /nfs/dbraw/zinc/39/95/52/507399552.db2.gz PAWQPWOLVNAACF-CQSZACIVSA-N 0 0 373.365 2.693 50 5 FFBARN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)[C@H]1CCc2ccccc21 ZINC000058412592 507415141 /nfs/dbraw/zinc/41/51/41/507415141.db2.gz KAFWQVMBCYOQJE-UGSOOPFHSA-N 0 0 367.405 2.859 50 5 FFBARN Cc1cc(=O)c(C(=O)N2C[C@H](C)C[C@H](C)C2)nn1-c1ccccc1[N+](=O)[O-] ZINC000029514909 507780899 /nfs/dbraw/zinc/78/08/99/507780899.db2.gz GTXPUCYVFUTJLM-BETUJISGSA-N 0 0 370.409 2.567 50 5 FFBARN O=C(NCCc1ccccn1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000079024348 507926441 /nfs/dbraw/zinc/92/64/41/507926441.db2.gz UCOMMYSRUKFJBZ-UHFFFAOYSA-N 0 0 350.172 2.725 50 5 FFBARN O=C1CCc2cc([N+](=O)[O-])c(N[C@@H]3CCCN(CC(F)(F)F)C3)cc2N1 ZINC000253426855 509880485 /nfs/dbraw/zinc/88/04/85/509880485.db2.gz BGIVMSSWMCVAHP-LLVKDONJSA-N 0 0 372.347 2.918 50 5 FFBARN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000109242226 570913452 /nfs/dbraw/zinc/91/34/52/570913452.db2.gz UOMILWPERKGLJT-CYBMUJFWSA-N 0 0 363.414 2.985 50 5 FFBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCO[C@]2(CCOC2)C1 ZINC000170591474 222595151 /nfs/dbraw/zinc/59/51/51/222595151.db2.gz RAEGQMANDAUCEC-ZUZCIYMTSA-N 0 0 355.778 2.708 50 5 FFBARN Cc1c(C(=O)N2NC(C3CC3)=C[C@]2(O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000000651718 219309060 /nfs/dbraw/zinc/30/90/60/219309060.db2.gz PMYPQFGNTMMJRH-AWEZNQCLSA-N 0 0 357.288 2.766 50 5 FFBARN COc1cccc(CN2CCN(Cc3ccccc3[N+](=O)[O-])CC2)c1OC ZINC000000652165 219309270 /nfs/dbraw/zinc/30/92/70/219309270.db2.gz VYAXFJDEBDZTHP-UHFFFAOYSA-N 0 0 371.437 2.930 50 5 FFBARN O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccco2)C[C@@H]2CCCO2)cc1 ZINC000000741531 219318612 /nfs/dbraw/zinc/31/86/12/219318612.db2.gz QWMXGYWEVDLTOP-HNNXBMFYSA-N 0 0 366.395 2.558 50 5 FFBARN COc1ccc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)cc1 ZINC000000795254 219322486 /nfs/dbraw/zinc/32/24/86/219322486.db2.gz CNCQPBABRGBRBR-UHFFFAOYSA-N 0 0 354.318 2.640 50 5 FFBARN O=C(COC(=O)c1cc2ccccc2oc1=O)c1cccc([N+](=O)[O-])c1 ZINC000000823763 219326940 /nfs/dbraw/zinc/32/69/40/219326940.db2.gz DHNJJMVWVXFVMJ-UHFFFAOYSA-N 0 0 353.286 2.741 50 5 FFBARN O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)NC[C@@H]1CCCO1 ZINC000000834567 219328517 /nfs/dbraw/zinc/32/85/17/219328517.db2.gz DIQRRRASKWSQRT-JTQLQIEISA-N 0 0 353.425 2.592 50 5 FFBARN O=C(Nc1ccc2c(c1)OCCO2)c1cc2cc([N+](=O)[O-])ccc2oc1=O ZINC000001056621 219360642 /nfs/dbraw/zinc/36/06/42/219360642.db2.gz VXQGNROMUHKQCT-UHFFFAOYSA-N 0 0 368.301 2.725 50 5 FFBARN COC(=O)C1=CN(C(C)C)C=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1 ZINC000002796736 219465758 /nfs/dbraw/zinc/46/57/58/219465758.db2.gz YBODJWFXGHKIFT-UHFFFAOYSA-N 0 0 360.366 2.516 50 5 FFBARN O=C(CCC(=O)OCC(=O)c1ccc(F)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000002994371 219481080 /nfs/dbraw/zinc/48/10/80/219481080.db2.gz DIEKHGHAVYJGCT-UHFFFAOYSA-N 0 0 374.324 2.879 50 5 FFBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)OCC(=O)Nc1ccc(Cl)cn1 ZINC000003447114 219510584 /nfs/dbraw/zinc/51/05/84/219510584.db2.gz XNFCJGALSAKTFI-QPJJXVBHSA-N 0 0 361.741 2.838 50 5 FFBARN O=[N+]([O-])c1ccc(-c2nnc(CSc3nnc4ccccn43)o2)cc1 ZINC000003378899 219505831 /nfs/dbraw/zinc/50/58/31/219505831.db2.gz RKBVKTPPSPOIDH-UHFFFAOYSA-N 0 0 354.351 2.980 50 5 FFBARN COC(=O)c1cc(C(=O)N[C@@H]2CCOc3ccccc32)cc([N+](=O)[O-])c1 ZINC000007215172 219795756 /nfs/dbraw/zinc/79/57/56/219795756.db2.gz KFTJXGCKTDVWDO-OAHLLOKOSA-N 0 0 356.334 2.635 50 5 FFBARN COc1ccccc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nccn1C ZINC000009319059 219877687 /nfs/dbraw/zinc/87/76/87/219877687.db2.gz CZXDJCAODQHRPD-KRWDZBQOSA-N 0 0 366.377 2.856 50 5 FFBARN CCOc1ncccc1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000011480308 219920478 /nfs/dbraw/zinc/92/04/78/219920478.db2.gz IGOJQYNQWNIGDR-LLVKDONJSA-N 0 0 359.338 2.573 50 5 FFBARN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000012543638 220004708 /nfs/dbraw/zinc/00/47/08/220004708.db2.gz JUAVIEWVRNVFOK-UHFFFAOYSA-N 0 0 368.393 2.805 50 5 FFBARN COC(=O)c1ccc(OCC(=O)Nc2cccc(C(C)=O)c2)c([N+](=O)[O-])c1 ZINC000012680375 220016299 /nfs/dbraw/zinc/01/62/99/220016299.db2.gz KDECQTYMEMHKCZ-UHFFFAOYSA-N 0 0 372.333 2.602 50 5 FFBARN CC(=O)N1CCc2cc(NC(=O)COc3cccc([N+](=O)[O-])c3)ccc21 ZINC000012980708 220048813 /nfs/dbraw/zinc/04/88/13/220048813.db2.gz MWDYLSFWPCYTBO-UHFFFAOYSA-N 0 0 355.350 2.521 50 5 FFBARN COc1ccc(NC(=O)[C@H](c2ccc([N+](=O)[O-])cc2)N2CCOCC2)cc1 ZINC000019537566 220268715 /nfs/dbraw/zinc/26/87/15/220268715.db2.gz WECIXYSOMPRLQC-SFHVURJKSA-N 0 0 371.393 2.615 50 5 FFBARN CC(=O)c1ccccc1NC(=O)[C@H](C)OC(=O)c1ccccc1[N+](=O)[O-] ZINC000022414485 220385744 /nfs/dbraw/zinc/38/57/44/220385744.db2.gz VEMSFNOEZYETHS-LBPRGKRZSA-N 0 0 356.334 2.981 50 5 FFBARN O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1ccc([N+](=O)[O-])o1 ZINC000032904639 220694853 /nfs/dbraw/zinc/69/48/53/220694853.db2.gz ALTYBSVODWZVEL-UHFFFAOYSA-N 0 0 358.354 2.614 50 5 FFBARN C[C@H](NC(=O)NCCNC(=O)c1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000050153784 221030315 /nfs/dbraw/zinc/03/03/15/221030315.db2.gz NLSGHUUXVFTBMM-LBPRGKRZSA-N 0 0 374.372 2.524 50 5 FFBARN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(F)c(F)c1F ZINC000055554875 221071529 /nfs/dbraw/zinc/07/15/29/221071529.db2.gz NQCKPWZJCWFOCG-UHFFFAOYSA-N 0 0 362.285 2.822 50 5 FFBARN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCO[C@@H](c2ccccc2)C1 ZINC000058166379 221101847 /nfs/dbraw/zinc/10/18/47/221101847.db2.gz HNCPGRDITIUZBF-GOSISDBHSA-N 0 0 356.378 2.964 50 5 FFBARN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1nc2ccccc2[nH]1 ZINC000058222760 221109205 /nfs/dbraw/zinc/10/92/05/221109205.db2.gz UOMMPCKBCMCLBU-UHFFFAOYSA-N 0 0 353.382 2.809 50 5 FFBARN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)C[C@H]1COc2ccccc2O1 ZINC000057451363 221089810 /nfs/dbraw/zinc/08/98/10/221089810.db2.gz CJTPQHPCSHTCRL-AWEZNQCLSA-N 0 0 371.393 2.614 50 5 FFBARN C[C@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H](c2ccccc2)O1 ZINC000063229249 221142117 /nfs/dbraw/zinc/14/21/17/221142117.db2.gz XZLZALHDVCQLTG-GUYCJALGSA-N 0 0 369.377 2.522 50 5 FFBARN CC(C)NC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000065479839 221224671 /nfs/dbraw/zinc/22/46/71/221224671.db2.gz AEAFXMZUVAIBJW-UHFFFAOYSA-N 0 0 353.806 2.625 50 5 FFBARN O=C(N[C@H]1C[C@H]1c1ccccc1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000067618749 221263909 /nfs/dbraw/zinc/26/39/09/221263909.db2.gz RDYFCQLBHFAJIO-OALUTQOASA-N 0 0 366.421 2.983 50 5 FFBARN CSCCCNC(=O)/N=c1\sc([N+](=O)[O-])cn1Cc1ccccc1 ZINC000071767359 221372708 /nfs/dbraw/zinc/37/27/08/221372708.db2.gz JTBLPWFLXSMUBT-ICFOKQHNSA-N 0 0 366.468 2.870 50 5 FFBARN Nc1nc(Sc2nnc(NC3CCCCC3)s2)ncc1[N+](=O)[O-] ZINC000071794735 221376067 /nfs/dbraw/zinc/37/60/67/221376067.db2.gz BLHLYQAGEQXJLD-UHFFFAOYSA-N 0 0 353.433 2.714 50 5 FFBARN O=C(COc1ncnc2cc([N+](=O)[O-])ccc21)N1CCCc2ccccc21 ZINC000003443330 132385325 /nfs/dbraw/zinc/38/53/25/132385325.db2.gz LSPLDTBSJLNJIS-UHFFFAOYSA-N 0 0 364.361 2.896 50 5 FFBARN O=C(N1CCCCC1)N1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000024201423 132910969 /nfs/dbraw/zinc/91/09/69/132910969.db2.gz PHUWUVHSWBQKOX-UHFFFAOYSA-N 0 0 369.425 2.871 50 5 FFBARN O=C(OCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(F)cc1 ZINC000052521492 136124376 /nfs/dbraw/zinc/12/43/76/136124376.db2.gz SDCUMROJRGHTPN-UHFFFAOYSA-N 0 0 373.384 2.713 50 5 FFBARN CCc1cc(N2CCC3(CC2)OCCO3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000054389819 136125508 /nfs/dbraw/zinc/12/55/08/136125508.db2.gz LBJVWWOBGCJIQQ-UHFFFAOYSA-N 0 0 370.409 2.958 50 5 FFBARN Cc1c(NC(=O)CN2CCN(c3ccccc3F)CC2)cccc1[N+](=O)[O-] ZINC000054530197 136125585 /nfs/dbraw/zinc/12/55/85/136125585.db2.gz GZHXFVMERWQNAQ-UHFFFAOYSA-N 0 0 372.400 2.803 50 5 FFBARN CCOC(=O)c1cc2c(nc3c(C)cccn3c2=O)n([C@@H](C)CC)c1=N ZINC000100628088 222247862 /nfs/dbraw/zinc/24/78/62/222247862.db2.gz ROFHMABAQPCCMX-LBPRGKRZSA-N 0 0 354.410 2.585 50 5 FFBARN O=c1[nH]c(SCc2nc3cc([N+](=O)[O-])ccc3[nH]2)nc2ccccc21 ZINC000005642768 263342905 /nfs/dbraw/zinc/34/29/05/263342905.db2.gz MWNLBRYOHIDQKH-UHFFFAOYSA-N 0 0 353.363 3.000 50 5 FFBARN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1ccccc1Cl ZINC000032401895 506248864 /nfs/dbraw/zinc/24/88/64/506248864.db2.gz RTCZSTCVVLWJHA-UHFFFAOYSA-N 0 0 356.787 2.735 50 5 FFBARN COc1ccc(CCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1OC ZINC000002754836 506290009 /nfs/dbraw/zinc/29/00/09/506290009.db2.gz SMGWVTCPLMXFBC-VQHVLOKHSA-N 0 0 356.378 2.984 50 5 FFBARN O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H](CN1CCOCC1)c1ccccc1 ZINC000032806091 506297496 /nfs/dbraw/zinc/29/74/96/506297496.db2.gz VRUNKLDHQHJFSZ-GOSISDBHSA-N 0 0 370.409 2.790 50 5 FFBARN Cc1ccc(OCCOCCn2cnc3ccccc3c2=O)c([N+](=O)[O-])c1 ZINC000003003359 506305781 /nfs/dbraw/zinc/30/57/81/506305781.db2.gz UASAZQHVKXFLPD-UHFFFAOYSA-N 0 0 369.377 2.709 50 5 FFBARN CCOC(=O)CSc1ccc(C(=O)NCc2ccco2)cc1[N+](=O)[O-] ZINC000003020323 506307330 /nfs/dbraw/zinc/30/73/30/506307330.db2.gz FYILVRIRQLUWDG-UHFFFAOYSA-N 0 0 364.379 2.773 50 5 FFBARN Cc1ccc(NC(=O)Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)cc1Cl ZINC000003260792 506317253 /nfs/dbraw/zinc/31/72/53/506317253.db2.gz HPLMBMNIXIVQKV-UHFFFAOYSA-N 0 0 372.768 2.905 50 5 FFBARN CC(=O)NCCNC(=O)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 ZINC000003334553 506322286 /nfs/dbraw/zinc/32/22/86/506322286.db2.gz DCWQHDIRFQYHJF-UHFFFAOYSA-N 0 0 359.407 2.612 50 5 FFBARN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCc1cccc(Cl)c1 ZINC000003333146 506322575 /nfs/dbraw/zinc/32/25/75/506322575.db2.gz GOOSTJNAKXTUBZ-UHFFFAOYSA-N 0 0 361.785 2.685 50 5 FFBARN Cc1cc(C)c(C(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1C ZINC000003587856 506344973 /nfs/dbraw/zinc/34/49/73/506344973.db2.gz KQFXLMNBOGHTLY-UHFFFAOYSA-N 0 0 352.346 2.999 50 5 FFBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O ZINC000004043754 506355605 /nfs/dbraw/zinc/35/56/05/506355605.db2.gz BGHLTIAWFVXZAD-LLVKDONJSA-N 0 0 353.334 2.526 50 5 FFBARN O=C(COC(=O)CSc1ccc([N+](=O)[O-])cc1)NCc1cccs1 ZINC000004219353 506366270 /nfs/dbraw/zinc/36/62/70/506366270.db2.gz INESHGVLXJNCAE-UHFFFAOYSA-N 0 0 366.420 2.608 50 5 FFBARN COC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccc([N+](=O)[O-])cc2)N1 ZINC000034792222 506370397 /nfs/dbraw/zinc/37/03/97/506370397.db2.gz PMTFLAWFQMHLPS-SJORKVTESA-N 0 0 351.362 2.853 50 5 FFBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1OCc1ccccc1 ZINC000004415715 506375958 /nfs/dbraw/zinc/37/59/58/506375958.db2.gz HVEJOOPQJDIOPD-UHFFFAOYSA-N 0 0 362.407 2.958 50 5 FFBARN COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)cc1 ZINC000004456028 506376710 /nfs/dbraw/zinc/37/67/10/506376710.db2.gz HXTDJPNCFDXLHH-UHFFFAOYSA-N 0 0 370.409 2.608 50 5 FFBARN O=C(N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccccc1[N+](=O)[O-] ZINC000004497483 506379443 /nfs/dbraw/zinc/37/94/43/506379443.db2.gz KVKSDHBZIIWYRI-GFCCVEGCSA-N 0 0 359.769 2.784 50 5 FFBARN COc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000004560411 506382127 /nfs/dbraw/zinc/38/21/27/506382127.db2.gz PWCSMWIAZRGQSA-UHFFFAOYSA-N 0 0 361.379 2.739 50 5 FFBARN COc1cccc(C2=NC(=CNc3ccc(OC)cc3[N+](=O)[O-])C(=O)O2)c1 ZINC000004590579 506384692 /nfs/dbraw/zinc/38/46/92/506384692.db2.gz OLJNTUNDKQDKOP-GDNBJRDFSA-N 0 0 369.333 2.869 50 5 FFBARN CNc1cc(N2CCN(C(=O)c3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000004688233 506388868 /nfs/dbraw/zinc/38/88/68/506388868.db2.gz MWXHXBIOHDDKBJ-UHFFFAOYSA-N 0 0 358.373 2.738 50 5 FFBARN COc1ccc(CN2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c(OC)c1 ZINC000004777655 506393742 /nfs/dbraw/zinc/39/37/42/506393742.db2.gz ZIIRSDSRNJEPIV-UHFFFAOYSA-N 0 0 371.437 2.930 50 5 FFBARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2ccc(C)nc2[N+](=O)[O-])cc1 ZINC000004891462 506402759 /nfs/dbraw/zinc/40/27/59/506402759.db2.gz KOLWWWLZFVVBFF-LLVKDONJSA-N 0 0 358.354 2.663 50 5 FFBARN Cc1ccc(CNc2c([N+](=O)[O-])nn(-c3ccc(Cl)cc3)[n+]2[O-])cc1 ZINC000004922585 506406305 /nfs/dbraw/zinc/40/63/05/506406305.db2.gz JZZUOFLDLMKCCM-UHFFFAOYSA-N 0 0 359.773 2.988 50 5 FFBARN Cn1c2ccccc2c(NCc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1=O ZINC000005518848 506447904 /nfs/dbraw/zinc/44/79/04/506447904.db2.gz WYUVXPGAFGFLFE-UHFFFAOYSA-N 0 0 353.334 2.788 50 5 FFBARN Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000040089920 506466756 /nfs/dbraw/zinc/46/67/56/506466756.db2.gz GTGXXRZQOKUBBH-AWEZNQCLSA-N 0 0 360.414 2.770 50 5 FFBARN C[C@@H](OC(=O)c1n[nH]c2ccccc21)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000006506390 506486609 /nfs/dbraw/zinc/48/66/09/506486609.db2.gz FMJLYJXTKVPOKV-SNVBAGLBSA-N 0 0 354.322 2.655 50 5 FFBARN O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)Nc1cccc(Cl)c1 ZINC000006550420 506487660 /nfs/dbraw/zinc/48/76/60/506487660.db2.gz FACZGOWFXHQVLR-UHFFFAOYSA-N 0 0 358.741 2.597 50 5 FFBARN COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000006552960 506487889 /nfs/dbraw/zinc/48/78/89/506487889.db2.gz FUNCCNPAHYUWFW-NSHDSACASA-N 0 0 374.349 2.796 50 5 FFBARN COc1ccc(CC(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000006581916 506488446 /nfs/dbraw/zinc/48/84/46/506488446.db2.gz GNVSVPIPRRIORM-UHFFFAOYSA-N 0 0 359.334 2.756 50 5 FFBARN COC(=O)c1ccc(NC(=O)/C=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000007063297 506530364 /nfs/dbraw/zinc/53/03/64/506530364.db2.gz XUQRKBXSIMUEGW-QPJJXVBHSA-N 0 0 370.317 2.762 50 5 FFBARN CC(C)(C)NS(=O)(=O)c1cccc(Nc2ncccc2[N+](=O)[O-])c1 ZINC000007187268 506541762 /nfs/dbraw/zinc/54/17/62/506541762.db2.gz OUDLORSGPQZHMP-UHFFFAOYSA-N 0 0 350.400 2.810 50 5 FFBARN Cc1cc(C)n(-c2nc(C)cc(NC[C@@H](O)c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000007596884 506572823 /nfs/dbraw/zinc/57/28/23/506572823.db2.gz OVYNNACINRERGO-MRXNPFEDSA-N 0 0 368.397 2.641 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1c(C)oc(C)c1C ZINC000008419943 506649421 /nfs/dbraw/zinc/64/94/21/506649421.db2.gz UMTUIONLADMUGI-UHFFFAOYSA-N 0 0 362.338 2.917 50 5 FFBARN Cc1cc(-n2c(C)cc(C(=O)Cn3nc(C)c([N+](=O)[O-])c3C)c2C)no1 ZINC000008429816 506650424 /nfs/dbraw/zinc/65/04/24/506650424.db2.gz HNYCJHOMZFMZBN-UHFFFAOYSA-N 0 0 357.370 2.995 50 5 FFBARN C[C@@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C)CC1 ZINC000009352473 506692779 /nfs/dbraw/zinc/69/27/79/506692779.db2.gz AXLBDAUGIXOSCB-CYBMUJFWSA-N 0 0 366.439 2.877 50 5 FFBARN Cc1cccc(Nc2nc(N)c([N+](=O)[O-])c(N3C[C@H](C)O[C@@H](C)C3)n2)c1 ZINC000009411312 506695584 /nfs/dbraw/zinc/69/55/84/506695584.db2.gz RXYPIRVTRFPUBB-RYUDHWBXSA-N 0 0 358.402 2.633 50 5 FFBARN COCCCNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000009425996 506695749 /nfs/dbraw/zinc/69/57/49/506695749.db2.gz OUVVTQMDSOHEQS-UHFFFAOYSA-N 0 0 357.366 2.613 50 5 FFBARN Cc1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(O)c1 ZINC000009616440 506705566 /nfs/dbraw/zinc/70/55/66/506705566.db2.gz LYKNOFRZQIKETQ-UHFFFAOYSA-N 0 0 357.366 2.698 50 5 FFBARN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000046033664 507066124 /nfs/dbraw/zinc/06/61/24/507066124.db2.gz NGXVFBIZRNBEIY-AWEZNQCLSA-N 0 0 369.468 2.546 50 5 FFBARN O=C(c1nc2ccc([N+](=O)[O-])cc2[nH]c1=O)[C@H](O)c1ccc(Cl)cc1 ZINC000019799229 507201568 /nfs/dbraw/zinc/20/15/68/507201568.db2.gz PLICCEFFPLGHFD-CQSZACIVSA-N 0 0 359.725 2.813 50 5 FFBARN C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000024796401 507439457 /nfs/dbraw/zinc/43/94/57/507439457.db2.gz ZIKRIZPVJWAUGF-HZPDHXFCSA-N 0 0 360.458 2.506 50 5 FFBARN COC(=O)C1=C(C)Nc2[nH]c(=S)[nH]c(=O)c2[C@H]1c1ccccc1[N+](=O)[O-] ZINC000028294254 507719216 /nfs/dbraw/zinc/71/92/16/507719216.db2.gz QWOMQZZKLYJBKI-NSHDSACASA-N 0 0 374.378 2.757 50 5 FFBARN COCCOCCN(Cc1ccccc1)c1nc2ccccn2c1[N+](=O)[O-] ZINC000079096288 507932557 /nfs/dbraw/zinc/93/25/57/507932557.db2.gz ZMUWZYGPQAMNPG-UHFFFAOYSA-N 0 0 370.409 2.912 50 5 FFBARN CCOC(=O)[C@]1(Cc2ccccc2[N+](=O)[O-])c2ccccc2N(C)C1=O ZINC000075283751 508094008 /nfs/dbraw/zinc/09/40/08/508094008.db2.gz KBMZCFGSMYJNBT-LJQANCHMSA-N 0 0 354.362 2.615 50 5 FFBARN COc1cc(C(=O)NCc2ncc(C(C)(C)C)o2)c([N+](=O)[O-])cc1OC ZINC000076093697 508157838 /nfs/dbraw/zinc/15/78/38/508157838.db2.gz ICSWYVOCWRSZJI-UHFFFAOYSA-N 0 0 363.370 2.828 50 5 FFBARN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCOc3ccccc32)cc1F ZINC000095978664 508200209 /nfs/dbraw/zinc/20/02/09/508200209.db2.gz KHUCZWVKZXSASB-ZDUSSCGKSA-N 0 0 352.343 2.536 50 5 FFBARN Cc1ccc(S(=O)(=O)NCCOc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000005060289 518189540 /nfs/dbraw/zinc/18/95/40/518189540.db2.gz HBLRDOMSDDOWNA-UHFFFAOYSA-N 0 0 370.814 2.914 50 5 FFBARN C[C@H]1CCCN(C(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000019829790 526265023 /nfs/dbraw/zinc/26/50/23/526265023.db2.gz GCUKHTDZLPLLRI-NSHDSACASA-N 0 0 362.411 2.995 50 5 FFBARN O=c1c2cc(Br)ccc2oc2nc3n(c(=O)c12)CCCS3 ZINC000000588696 219305108 /nfs/dbraw/zinc/30/51/08/219305108.db2.gz BZTSSXCAQQGXDN-UHFFFAOYSA-N 0 0 365.208 2.761 50 5 FFBARN COC(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1SCc1ccccc1 ZINC000001068813 219363384 /nfs/dbraw/zinc/36/33/84/219363384.db2.gz ZIJUNERBPHTSFF-UHFFFAOYSA-N 0 0 360.391 2.790 50 5 FFBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000001200165 219388892 /nfs/dbraw/zinc/38/88/92/219388892.db2.gz AEOUTNUSLTVHQN-UHFFFAOYSA-N 0 0 373.796 2.846 50 5 FFBARN CCSc1ncccc1C(=O)NOc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000003118388 219487779 /nfs/dbraw/zinc/48/77/79/219487779.db2.gz NFPDDDFEXNDMKE-UHFFFAOYSA-N 0 0 364.339 2.734 50 5 FFBARN CCOc1ccc(Nc2nc(N)c([N+](=O)[O-])c(NC[C@@H]3CCCO3)n2)cc1 ZINC000005156254 219657236 /nfs/dbraw/zinc/65/72/36/219657236.db2.gz JDDJTSKADSLOJO-ZDUSSCGKSA-N 0 0 374.401 2.700 50 5 FFBARN Cn1ccnc1Sc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000008130738 219847846 /nfs/dbraw/zinc/84/78/46/219847846.db2.gz JLPRWVXPUYJGSX-UHFFFAOYSA-N 0 0 367.330 2.773 50 5 FFBARN COC(=O)c1ccc(Oc2c([N+](=O)[O-])ncn2C)c(Br)c1 ZINC000012544275 220005751 /nfs/dbraw/zinc/00/57/51/220005751.db2.gz UJOMEOSRJNUSQZ-UHFFFAOYSA-N 0 0 356.132 2.670 50 5 FFBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000018227911 220229763 /nfs/dbraw/zinc/22/97/63/220229763.db2.gz VDQCPZZGQXMZHZ-GASCZTMLSA-N 0 0 371.393 2.573 50 5 FFBARN COc1c(Cl)c(Cl)ccc1S(=O)(=O)n1c(C)ncc1[N+](=O)[O-] ZINC000019943351 220305854 /nfs/dbraw/zinc/30/58/54/220305854.db2.gz KYAAWTGNEWXURN-UHFFFAOYSA-N 0 0 366.182 2.652 50 5 FFBARN COc1cccc(-c2n[nH]c3c2[C@H](c2ccccc2[N+](=O)[O-])NC3=O)c1 ZINC000020213032 220318494 /nfs/dbraw/zinc/31/84/94/220318494.db2.gz VNVXJEJTZLNZSL-INIZCTEOSA-N 0 0 350.334 2.826 50 5 FFBARN O=[N+]([O-])c1cc(I)ccc1I ZINC000021990584 220372156 /nfs/dbraw/zinc/37/21/56/220372156.db2.gz WNAMUUCHNYHBEV-UHFFFAOYSA-N 0 0 374.903 2.804 50 5 FFBARN CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000022416207 220385990 /nfs/dbraw/zinc/38/59/90/220385990.db2.gz TUYKLKQDGWYLOO-UHFFFAOYSA-N 0 0 369.805 2.941 50 5 FFBARN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCOCC2)c([N+](=O)[O-])c1 ZINC000023732543 220433681 /nfs/dbraw/zinc/43/36/81/220433681.db2.gz OLFJKLALILCVTR-GOSISDBHSA-N 0 0 355.394 2.915 50 5 FFBARN O=C([C@@H]1CC(=O)Nc2cc(F)ccc21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000029888918 220612806 /nfs/dbraw/zinc/61/28/06/220612806.db2.gz RSHWILZVBOOXSN-CQSZACIVSA-N 0 0 355.325 2.749 50 5 FFBARN CNc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000032796957 220682633 /nfs/dbraw/zinc/68/26/33/220682633.db2.gz FVJXFIAYJKEHNZ-INIZCTEOSA-N 0 0 368.393 2.880 50 5 FFBARN CCOC(=O)c1c(C)oc2ncn(Cc3cccc([N+](=O)[O-])c3C)c(=O)c21 ZINC000040127743 220886010 /nfs/dbraw/zinc/88/60/10/220886010.db2.gz SNBDWPZPHBPFOP-UHFFFAOYSA-N 0 0 371.349 2.740 50 5 FFBARN COC(=O)c1cc([N+](=O)[O-])ccc1N[C@H](C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000048366848 221011539 /nfs/dbraw/zinc/01/15/39/221011539.db2.gz ZZQPMVATNKUTNW-SECBINFHSA-N 0 0 356.338 2.724 50 5 FFBARN COc1cc(C(=O)NCC2CC2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000056391625 221079947 /nfs/dbraw/zinc/07/99/47/221079947.db2.gz NNOMFYMZMRCGAG-UHFFFAOYSA-N 0 0 363.395 2.779 50 5 FFBARN COCCN1C(=O)[C@H](Oc2ccc(F)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000058085179 221098502 /nfs/dbraw/zinc/09/85/02/221098502.db2.gz PVHVWPYMSZGGGR-IAGOWNOFSA-N 0 0 360.341 2.711 50 5 FFBARN CCC[C@H]1CCCN(c2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])CC1 ZINC000060874591 221132008 /nfs/dbraw/zinc/13/20/08/221132008.db2.gz NURBGPIJNJQBTG-ZDUSSCGKSA-N 0 0 355.460 2.910 50 5 FFBARN C[C@H]1CCCN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CC1 ZINC000062923577 221140383 /nfs/dbraw/zinc/14/03/83/221140383.db2.gz WICULRCEZZDFEO-ZDUSSCGKSA-N 0 0 361.398 2.932 50 5 FFBARN C[C@@H](CNC(=O)OC(C)(C)C)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000225388784 132284380 /nfs/dbraw/zinc/28/43/80/132284380.db2.gz ITRHXZXQXQJAKR-AWEZNQCLSA-N 0 0 364.446 2.630 50 5 FFBARN O=C1OCC2=C1[C@H](c1cccc([N+](=O)[O-])c1)CC(=O)N2c1ccccc1 ZINC000001427636 132381944 /nfs/dbraw/zinc/38/19/44/132381944.db2.gz QVDLNTUYXVITKV-HNNXBMFYSA-N 0 0 350.330 2.926 50 5 FFBARN O=[N+]([O-])c1cccnc1NCc1ccc(N2CCCC[C@@H]2CCO)nc1 ZINC000047253878 136122673 /nfs/dbraw/zinc/12/26/73/136122673.db2.gz KOWVYTZJOIKDRE-OAHLLOKOSA-N 0 0 357.414 2.738 50 5 FFBARN Cc1cc(C)c2c(n1)sc1c2nnn(-c2ccccc2[N+](=O)[O-])c1=O ZINC000020446324 263380019 /nfs/dbraw/zinc/38/00/19/263380019.db2.gz AAMGXWWISQKSND-UHFFFAOYSA-N 0 0 353.363 2.915 50 5 FFBARN CCOC(=O)C1=C(C(F)(F)F)NC(=O)C[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000001392231 506260394 /nfs/dbraw/zinc/26/03/94/506260394.db2.gz GVKIDXQDEXAFPF-SNVBAGLBSA-N 0 0 358.272 2.578 50 5 FFBARN COc1cccc(/C=C2\N=C(c3ccc(OC)c([N+](=O)[O-])c3)OC2=O)c1 ZINC000001507848 506263415 /nfs/dbraw/zinc/26/34/15/506263415.db2.gz HMOQKKHCAONAIW-ZROIWOOFSA-N 0 0 354.318 2.957 50 5 FFBARN C[C@H]1C[C@@H](OC(=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)C(=O)O1 ZINC000032736102 506288098 /nfs/dbraw/zinc/28/80/98/506288098.db2.gz XORVIMMOUXEBFR-BLLLJJGKSA-N 0 0 362.382 2.836 50 5 FFBARN O=C(N[C@@H]1CCOc2ccccc21)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000032722332 506284400 /nfs/dbraw/zinc/28/44/00/506284400.db2.gz DQJWIRHEHMKXKU-CYBMUJFWSA-N 0 0 356.334 2.620 50 5 FFBARN CN(C)C(=O)N[C@H](Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl ZINC000003130611 506311642 /nfs/dbraw/zinc/31/16/42/506311642.db2.gz KLSOBTYDYWNKQL-VIFPVBQESA-N 0 0 355.609 2.974 50 5 FFBARN O=C(COC(=O)c1ccc(Cl)cc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000003271335 506317138 /nfs/dbraw/zinc/31/71/38/506317138.db2.gz HEGAAHOVXRMOGG-UHFFFAOYSA-N 0 0 374.780 2.990 50 5 FFBARN O=C(COC(=O)c1ccccc1O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000003272208 506317213 /nfs/dbraw/zinc/31/72/13/506317213.db2.gz PLUPINWAQKMYQH-UHFFFAOYSA-N 0 0 350.714 2.749 50 5 FFBARN COc1ccc(C(C)=O)cc1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000003415583 506329553 /nfs/dbraw/zinc/32/95/53/506329553.db2.gz GONIIJYJZPBWRP-UHFFFAOYSA-N 0 0 354.318 2.602 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1ccccc1OC ZINC000003466010 506334261 /nfs/dbraw/zinc/33/42/61/506334261.db2.gz NGGMCFLZJVIDET-LLVKDONJSA-N 0 0 374.349 2.796 50 5 FFBARN COC(=O)c1cc(C(=O)O[C@H](C)C(=O)Nc2ccccc2)cc([N+](=O)[O-])c1 ZINC000003513580 506338408 /nfs/dbraw/zinc/33/84/08/506338408.db2.gz KOSNSGYJAWYSTE-LLVKDONJSA-N 0 0 372.333 2.565 50 5 FFBARN COc1cc(C(=O)OCc2cn3ccccc3n2)c([N+](=O)[O-])cc1OC ZINC000004274891 506367928 /nfs/dbraw/zinc/36/79/28/506367928.db2.gz DXRDYONYEGWZNK-UHFFFAOYSA-N 0 0 357.322 2.617 50 5 FFBARN Cc1ccc(N2C[C@H](NC(=O)c3cccc([N+](=O)[O-])c3)CC2=O)cc1C ZINC000004497023 506377930 /nfs/dbraw/zinc/37/79/30/506377930.db2.gz ORGHUUTUJNJRGL-OAHLLOKOSA-N 0 0 353.378 2.747 50 5 FFBARN CCC(=O)OCCNc1cc(SC(C)C)c2nonc2c1[N+](=O)[O-] ZINC000004677059 506386193 /nfs/dbraw/zinc/38/61/93/506386193.db2.gz YUSCJOPHFRVMLT-UHFFFAOYSA-N 0 0 354.388 2.997 50 5 FFBARN CNc1cc(N2CCN(C(=O)/C=C/c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000004703750 506389391 /nfs/dbraw/zinc/38/93/91/506389391.db2.gz SOTYIBZBYSEFCH-JXMROGBWSA-N 0 0 366.421 2.999 50 5 FFBARN COc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1N1CCN(C)CC1 ZINC000004708119 506390216 /nfs/dbraw/zinc/39/02/16/506390216.db2.gz HNQPDWZBYWVSQL-UHFFFAOYSA-N 0 0 370.409 2.608 50 5 FFBARN CN(CCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(Cl)nn1 ZINC000004811825 506395004 /nfs/dbraw/zinc/39/50/04/506395004.db2.gz FBGXEATXQNFAJN-UHFFFAOYSA-N 0 0 366.765 2.885 50 5 FFBARN COc1cccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 ZINC000004895971 506401879 /nfs/dbraw/zinc/40/18/79/506401879.db2.gz PDJJMGDWUYGJHS-UHFFFAOYSA-N 0 0 357.366 2.692 50 5 FFBARN Cc1ccc(CNc2c([N+](=O)[O-])nn(-c3cccc(Cl)c3)[n+]2[O-])cc1 ZINC000004923425 506405911 /nfs/dbraw/zinc/40/59/11/506405911.db2.gz LXNKWNGAHITINV-UHFFFAOYSA-N 0 0 359.773 2.988 50 5 FFBARN CNC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000005165766 506426227 /nfs/dbraw/zinc/42/62/27/506426227.db2.gz BRAFDKUAUPBIPX-XNTDXEJSSA-N 0 0 359.769 2.765 50 5 FFBARN Cc1c(O[C@@H](C)C(=O)NCCCO)ccc2c3ccccc3c(=O)oc12 ZINC000005243664 506429879 /nfs/dbraw/zinc/42/98/79/506429879.db2.gz HRBXOTGHGLAGHT-ZDUSSCGKSA-N 0 0 355.390 2.521 50 5 FFBARN COc1cc(NC(=O)COC(=O)c2ccc(C)cc2O)c(C)cc1[N+](=O)[O-] ZINC000005226794 506431029 /nfs/dbraw/zinc/43/10/29/506431029.db2.gz HRIMRINRBVYKHR-UHFFFAOYSA-N 0 0 374.349 2.721 50 5 FFBARN O=[N+]([O-])c1ccccc1N1CCN(C(=S)NCc2ccccc2)CC1 ZINC000005930787 506461951 /nfs/dbraw/zinc/46/19/51/506461951.db2.gz HVKPHCPFQHFPEL-UHFFFAOYSA-N 0 0 356.451 2.792 50 5 FFBARN Cc1cc(-n2c(C)cc(C(=O)COc3cccnc3[N+](=O)[O-])c2C)no1 ZINC000005971638 506463529 /nfs/dbraw/zinc/46/35/29/506463529.db2.gz NMVZRYPGCVTHSK-UHFFFAOYSA-N 0 0 356.338 2.955 50 5 FFBARN COc1ccc([C@@H](Nc2c([N+](=O)[O-])c(C)nn2C)c2nccn2C)cc1 ZINC000040116246 506468688 /nfs/dbraw/zinc/46/86/88/506468688.db2.gz UEHQKERZBMYQNZ-CQSZACIVSA-N 0 0 356.386 2.580 50 5 FFBARN CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc([O-])ccc2[N+](=O)[O-])N3)C1 ZINC000006594375 506490880 /nfs/dbraw/zinc/49/08/80/506490880.db2.gz SVVGNZYPGCJDLE-HNNXBMFYSA-N 0 0 374.422 2.594 50 5 FFBARN Cn1cnc([N+](=O)[O-])c1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000006653718 506494079 /nfs/dbraw/zinc/49/40/79/506494079.db2.gz JLXWTGXXNSDGIE-UHFFFAOYSA-N 0 0 355.320 2.674 50 5 FFBARN COC(=O)c1sccc1NC(=O)COc1ccc(C)cc1[N+](=O)[O-] ZINC000006690866 506497977 /nfs/dbraw/zinc/49/79/77/506497977.db2.gz HTCPWIVIRZBGOI-UHFFFAOYSA-N 0 0 350.352 2.769 50 5 FFBARN CC[C@H]1Oc2ccccc2C(=O)N(CC(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000006719943 506500351 /nfs/dbraw/zinc/50/03/51/506500351.db2.gz IPHHVSDUBMUVDA-MRXNPFEDSA-N 0 0 368.345 2.618 50 5 FFBARN COc1cc([N+](=O)[O-])ccc1NC(=S)NCc1ccc2c(c1)OCO2 ZINC000006951731 506520697 /nfs/dbraw/zinc/52/06/97/506520697.db2.gz FJVXWAPKGLSNHJ-UHFFFAOYSA-N 0 0 361.379 2.819 50 5 FFBARN Cc1ccc([N+](=O)[O-])c(NC(=O)CN2C(=O)CC3(CCCCC3)C2=O)c1C ZINC000007046945 506529387 /nfs/dbraw/zinc/52/93/87/506529387.db2.gz UTHMJYDZDJEBGU-UHFFFAOYSA-N 0 0 373.409 2.860 50 5 FFBARN O=C(Nc1cc([N+](=O)[O-])ccc1F)C1CCN(C(=O)c2ccco2)CC1 ZINC000008246514 506635628 /nfs/dbraw/zinc/63/56/28/506635628.db2.gz JXIHVDLRTSQEFC-UHFFFAOYSA-N 0 0 361.329 2.818 50 5 FFBARN COC(=O)c1csc([N+](=O)[O-])c1-c1c(C(=O)OC)csc1[N+](=O)[O-] ZINC000008431227 506651420 /nfs/dbraw/zinc/65/14/20/506651420.db2.gz KQHPJUKPZCQVMJ-UHFFFAOYSA-N 0 0 372.336 2.866 50 5 FFBARN COc1ccc(NC(C)=O)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000008726423 506664616 /nfs/dbraw/zinc/66/46/16/506664616.db2.gz CMXNXEGYJFNWIH-UHFFFAOYSA-N 0 0 372.381 2.880 50 5 FFBARN COCCN(Cc1cccs1)C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000008748759 506666030 /nfs/dbraw/zinc/66/60/30/506666030.db2.gz OXFXTGBWKICTLQ-UHFFFAOYSA-N 0 0 350.396 2.954 50 5 FFBARN Cc1nn(CC(=O)NCCSCc2ccc(C)cc2)c(C)c1[N+](=O)[O-] ZINC000009690317 506708334 /nfs/dbraw/zinc/70/83/34/506708334.db2.gz OJKFOTSRGNYJDM-UHFFFAOYSA-N 0 0 362.455 2.766 50 5 FFBARN COc1ccc(CNC(=O)/C=C/c2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000009723654 506710447 /nfs/dbraw/zinc/71/04/47/506710447.db2.gz REMYQMHZBPZZSC-QPJJXVBHSA-N 0 0 370.361 2.800 50 5 FFBARN Cc1ccc(C(=O)NCC(=O)N2CCC[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000009958751 506719791 /nfs/dbraw/zinc/71/97/91/506719791.db2.gz XEWYSNAORMSFGE-KRWDZBQOSA-N 0 0 367.405 2.997 50 5 FFBARN Cc1cc(NC(=O)[C@H](C)OC(=O)c2cc(Cl)ccc2[N+](=O)[O-])no1 ZINC000010028876 506723139 /nfs/dbraw/zinc/72/31/39/506723139.db2.gz OORRFXPHDFFONA-QMMMGPOBSA-N 0 0 353.718 2.729 50 5 FFBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000012390972 506857888 /nfs/dbraw/zinc/85/78/88/506857888.db2.gz RAOXDKLGZBGTHG-AWEZNQCLSA-N 0 0 351.366 2.657 50 5 FFBARN Cc1ccc(Nc2nc(N3C[C@@H](C)O[C@@H](C)C3)nc(N)c2[N+](=O)[O-])cc1 ZINC000012551596 506878122 /nfs/dbraw/zinc/87/81/22/506878122.db2.gz MOHGDLGFZCYOFA-TXEJJXNPSA-N 0 0 358.402 2.633 50 5 FFBARN COC(=O)/C=C/CN1C(=O)[C@H](c2ccccc2)Oc2cc([N+](=O)[O-])ccc21 ZINC000020030747 507209435 /nfs/dbraw/zinc/20/94/35/507209435.db2.gz UIMZWCJZDWWSCW-MOTZXUDYSA-N 0 0 368.345 2.791 50 5 FFBARN COC(=O)/C=C/CN1C(=O)[C@@H](c2ccccc2)Oc2cc([N+](=O)[O-])ccc21 ZINC000020030743 507210387 /nfs/dbraw/zinc/21/03/87/507210387.db2.gz UIMZWCJZDWWSCW-KRZKXXONSA-N 0 0 368.345 2.791 50 5 FFBARN Cc1cc(C(=O)N[C@H](CN2CCOCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000024208846 507397607 /nfs/dbraw/zinc/39/76/07/507397607.db2.gz WVTRUHTVGKNFGK-GOSISDBHSA-N 0 0 369.421 2.707 50 5 FFBARN Cc1nn(CC(=O)OCc2coc(-c3ccccc3)n2)c(C)c1[N+](=O)[O-] ZINC000024293407 507403009 /nfs/dbraw/zinc/40/30/09/507403009.db2.gz FWUSVGJTQPUOMM-UHFFFAOYSA-N 0 0 356.338 2.807 50 5 FFBARN Cc1ccc(C(=O)N2CCC(c3nnc4ccccn43)CC2)cc1[N+](=O)[O-] ZINC000024327399 507404193 /nfs/dbraw/zinc/40/41/93/507404193.db2.gz LGZOPSUTYYCJHJ-UHFFFAOYSA-N 0 0 365.393 2.966 50 5 FFBARN C[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccc(-c2ccccc2)cc1 ZINC000048224443 507482201 /nfs/dbraw/zinc/48/22/01/507482201.db2.gz WBYWXMXIJWXRON-ZDUSSCGKSA-N 0 0 351.366 2.731 50 5 FFBARN COC(=O)c1ccc([C@H](C)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000025913132 507542873 /nfs/dbraw/zinc/54/28/73/507542873.db2.gz UCABCPRUQVZHNN-ZDUSSCGKSA-N 0 0 359.382 2.858 50 5 FFBARN COC(=O)CCSCCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000089400841 507835863 /nfs/dbraw/zinc/83/58/63/507835863.db2.gz FOIZFLDFNINVHD-UHFFFAOYSA-N 0 0 361.807 2.666 50 5 FFBARN COc1ccc(NC(=O)[C@@H](c2cccc([N+](=O)[O-])c2)N2CCOCC2)cc1 ZINC000096602152 508215323 /nfs/dbraw/zinc/21/53/23/508215323.db2.gz SCNHRRIFRQDCJH-GOSISDBHSA-N 0 0 371.393 2.615 50 5 FFBARN O=C(CN1CCCc2cccc(F)c21)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000084445549 508279736 /nfs/dbraw/zinc/27/97/36/508279736.db2.gz CRTPJTSXLFGESK-UHFFFAOYSA-N 0 0 373.340 2.854 50 5 FFBARN CCCc1[nH]nc(-c2nc(-c3ccc(C(=O)OC)cc3)no2)c1[N+](=O)[O-] ZINC000170609054 509679452 /nfs/dbraw/zinc/67/94/52/509679452.db2.gz NNLBTNISDCMZGD-UHFFFAOYSA-N 0 0 357.326 2.774 50 5 FFBARN Cc1nn(C(C)(C)C)c(=O)n1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000193094349 222621087 /nfs/dbraw/zinc/62/10/87/222621087.db2.gz BDBUBBMWYFODSZ-UHFFFAOYSA-N 0 0 369.219 2.827 50 5 FFBARN COc1cc([C@H]2NC(=O)CC[C@H]2[N+](=O)[O-])ccc1OCc1ccccc1 ZINC000000815843 219325237 /nfs/dbraw/zinc/32/52/37/219325237.db2.gz ZCSAVJRPGZHZHC-DNVCBOLYSA-N 0 0 356.378 2.871 50 5 FFBARN O=C(Oc1ccc(C(=S)N2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000000828128 219327792 /nfs/dbraw/zinc/32/77/92/219327792.db2.gz XCNDUMKZXBBHEJ-UHFFFAOYSA-N 0 0 372.402 2.822 50 5 FFBARN O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)NC[C@H]1CCCO1 ZINC000000834566 219329062 /nfs/dbraw/zinc/32/90/62/219329062.db2.gz DIQRRRASKWSQRT-SNVBAGLBSA-N 0 0 353.425 2.592 50 5 FFBARN COc1ccc(C(=O)NC(=S)Nc2ccc(C(C)=O)cc2)cc1[N+](=O)[O-] ZINC000000882015 219335163 /nfs/dbraw/zinc/33/51/63/219335163.db2.gz UVJKEOHAOSMQKL-UHFFFAOYSA-N 0 0 373.390 2.933 50 5 FFBARN COc1ccc(NC(=S)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000000881996 219335779 /nfs/dbraw/zinc/33/57/79/219335779.db2.gz RYQGSGQPSUAICJ-UHFFFAOYSA-N 0 0 361.379 2.739 50 5 FFBARN Cn1nc([N+](=O)[O-])nc1Oc1ccc(C(=O)OCc2ccccc2)cc1 ZINC000001062902 219361333 /nfs/dbraw/zinc/36/13/33/219361333.db2.gz ABJGGBUEMYASRO-UHFFFAOYSA-N 0 0 354.322 2.873 50 5 FFBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C(=O)c2ccccc2C1=O ZINC000001134864 219377693 /nfs/dbraw/zinc/37/76/93/219377693.db2.gz OZEBWQLZJRXYRN-UHFFFAOYSA-N 0 0 353.334 2.528 50 5 FFBARN COc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c([N+](=O)[O-])cc1OC ZINC000001164178 219384317 /nfs/dbraw/zinc/38/43/17/219384317.db2.gz ORILCTKHXVNKFD-MDWZMJQESA-N 0 0 369.333 2.709 50 5 FFBARN CC(=O)Nc1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000001180947 219385898 /nfs/dbraw/zinc/38/58/98/219385898.db2.gz AJTKWGXEZACBAJ-UHFFFAOYSA-N 0 0 372.406 2.988 50 5 FFBARN Cn1c2ccccc2c2c(c1=O)[C@H](c1cccc([N+](=O)[O-])c1)CC(=O)O2 ZINC000001427619 219405420 /nfs/dbraw/zinc/40/54/20/219405420.db2.gz HMHMPPHSHXVNIE-AWEZNQCLSA-N 0 0 350.330 2.888 50 5 FFBARN CCOC(=O)c1ccc(OC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)cc1 ZINC000002851448 219469929 /nfs/dbraw/zinc/46/99/29/219469929.db2.gz JWXVGBHBMYITNG-UHFFFAOYSA-N 0 0 373.317 2.777 50 5 FFBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000003407198 219507435 /nfs/dbraw/zinc/50/74/35/219507435.db2.gz MWUZMCTYZYVMQS-ZDUSSCGKSA-N 0 0 357.341 2.721 50 5 FFBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1cccc(S(C)(=O)=O)c1 ZINC000015179442 220149111 /nfs/dbraw/zinc/14/91/11/220149111.db2.gz DCRFUJZGYBXJQO-GFCCVEGCSA-N 0 0 362.407 2.832 50 5 FFBARN C[C@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000015813482 220165070 /nfs/dbraw/zinc/16/50/70/220165070.db2.gz SQOVGRCYCJBMPW-JTQLQIEISA-N 0 0 373.319 2.945 50 5 FFBARN COCCN1C(=O)c2[nH]nc(-c3ccco3)c2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000020744609 220340528 /nfs/dbraw/zinc/34/05/28/220340528.db2.gz BNZJGZNFLPVPKA-KRWDZBQOSA-N 0 0 368.349 2.770 50 5 FFBARN CC(=O)NC1=NN(C(C)=O)[C@H](c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S1 ZINC000020895476 220344290 /nfs/dbraw/zinc/34/42/90/220344290.db2.gz OLZYYYWBRODOPN-HNNXBMFYSA-N 0 0 374.378 2.856 50 5 FFBARN CCOC(=O)c1cc(CC)sc1NC(=O)CCn1cnc([N+](=O)[O-])c1 ZINC000024591362 220452724 /nfs/dbraw/zinc/45/27/24/220452724.db2.gz OHRNLZVPLVXLPW-UHFFFAOYSA-N 0 0 366.399 2.621 50 5 FFBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000024933038 220466940 /nfs/dbraw/zinc/46/69/40/220466940.db2.gz ITGZHSBJZKRJJW-INIZCTEOSA-N 0 0 355.350 2.965 50 5 FFBARN Cn1nc(C(C)(C)C)cc1NC(=O)COc1cc(F)ccc1[N+](=O)[O-] ZINC000048355441 221009935 /nfs/dbraw/zinc/00/99/35/221009935.db2.gz VFLIWDUEEMYCLA-UHFFFAOYSA-N 0 0 350.350 2.782 50 5 FFBARN C[C@@H](Oc1ccc(C(=O)NC2CC2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000054271603 221052089 /nfs/dbraw/zinc/05/20/89/221052089.db2.gz RRMXNVBPOAQHGA-GFCCVEGCSA-N 0 0 369.377 2.893 50 5 FFBARN Cc1ccccc1-c1noc(Cn2cc(Br)c([N+](=O)[O-])n2)n1 ZINC000054919740 221056198 /nfs/dbraw/zinc/05/61/98/221056198.db2.gz YOTUPHBWQXWKDG-UHFFFAOYSA-N 0 0 364.159 2.961 50 5 FFBARN COCCN1C(=O)[C@@H](Oc2ccc(F)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000058085170 221098585 /nfs/dbraw/zinc/09/85/85/221098585.db2.gz PVHVWPYMSZGGGR-SJORKVTESA-N 0 0 360.341 2.711 50 5 FFBARN O=C1NC2(CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)N=C1c1ccccc1 ZINC000064963726 221158804 /nfs/dbraw/zinc/15/88/04/221158804.db2.gz UCTKTHNVOYZGBM-UHFFFAOYSA-N 0 0 364.405 2.506 50 5 FFBARN C[C@@H]1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000008132128 132259425 /nfs/dbraw/zinc/25/94/25/132259425.db2.gz FOAHQAYQBIMCRI-RKDXNWHRSA-N 0 0 368.333 2.502 50 5 FFBARN CC(=O)Nc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000003880219 132385848 /nfs/dbraw/zinc/38/58/48/132385848.db2.gz DDAMLHABHJOJCI-UHFFFAOYSA-N 0 0 368.393 2.516 50 5 FFBARN O=[N+]([O-])c1ccc(N2CCN(Cc3nnc(-c4ccccc4)o3)CC2)cc1 ZINC000058138356 136130527 /nfs/dbraw/zinc/13/05/27/136130527.db2.gz RTLMVYJNWVBYOV-UHFFFAOYSA-N 0 0 365.393 2.967 50 5 FFBARN Cc1c([C@H](C)NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cnn1C ZINC000024999757 136153149 /nfs/dbraw/zinc/15/31/49/136153149.db2.gz NGQCDJGVQSEARP-ZDUSSCGKSA-N 0 0 371.441 2.731 50 5 FFBARN Cc1ccc(C(=O)NCCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000096277379 222108256 /nfs/dbraw/zinc/10/82/56/222108256.db2.gz GRDZBEWCAFCATE-UHFFFAOYSA-N 0 0 352.350 2.926 50 5 FFBARN C[C@H]1CC(=O)N(c2ccc(NCCc3ccc(O)cc3)c([N+](=O)[O-])c2)C1=O ZINC000101674837 222280771 /nfs/dbraw/zinc/28/07/71/222280771.db2.gz ZKJQUJMWJGDMIY-LBPRGKRZSA-N 0 0 369.377 2.854 50 5 FFBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc(N2CCCC2=O)c1 ZINC000009653544 263362293 /nfs/dbraw/zinc/36/22/93/263362293.db2.gz DXRHPRJXPZKRJX-UHFFFAOYSA-N 0 0 355.350 2.739 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)Cn1ccc(=O)c2ccccc21 ZINC000058391375 263414902 /nfs/dbraw/zinc/41/49/02/263414902.db2.gz HKFGAFOTSKCNKA-UHFFFAOYSA-N 0 0 353.334 2.557 50 5 FFBARN COCCN(Cc1cccs1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000032724459 506283614 /nfs/dbraw/zinc/28/36/14/506283614.db2.gz AFYKUPJUDQJDCM-UHFFFAOYSA-N 0 0 370.452 2.802 50 5 FFBARN C[C@@H](CCc1ccccc1)NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002651371 506287008 /nfs/dbraw/zinc/28/70/08/506287008.db2.gz WFDLJIGYXSJDJQ-AWEZNQCLSA-N 0 0 356.378 2.889 50 5 FFBARN Cc1cc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n(-c2ccccc2)n1 ZINC000003197903 506313061 /nfs/dbraw/zinc/31/30/61/506313061.db2.gz OAUQGNZNIYCVSA-UHFFFAOYSA-N 0 0 359.363 2.857 50 5 FFBARN C[C@H]1CN(C(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)C[C@H](C)O1 ZINC000003234877 506314683 /nfs/dbraw/zinc/31/46/83/506314683.db2.gz JDSHPJUFWJGPDF-UWVGGRQHSA-N 0 0 367.452 2.932 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1ccccc1F ZINC000003392984 506327927 /nfs/dbraw/zinc/32/79/27/506327927.db2.gz NGFTXBCLWKGRNV-JTQLQIEISA-N 0 0 362.313 2.927 50 5 FFBARN C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000003499597 506336937 /nfs/dbraw/zinc/33/69/37/506336937.db2.gz CFHIAQAMZOBSFA-GHMZBOCLSA-N 0 0 354.790 2.910 50 5 FFBARN CCCCCC(=O)N[C@H](Cc1ccc(OC)c([N+](=O)[O-])c1)C(=O)OCC ZINC000004146821 506363185 /nfs/dbraw/zinc/36/31/85/506363185.db2.gz RGTRBYOIYUWIIJ-CQSZACIVSA-N 0 0 366.414 2.774 50 5 FFBARN O=C1NCCCC[C@@H]1Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000004306705 506369620 /nfs/dbraw/zinc/36/96/20/506369620.db2.gz HHYZNTQFJBNUSS-QMMMGPOBSA-N 0 0 362.264 2.602 50 5 FFBARN O=[N+]([O-])c1cc([N+](=O)[O-])c(NC[C@@H]2CCCO2)cc1NC[C@@H]1CCCO1 ZINC000004406388 506374190 /nfs/dbraw/zinc/37/41/90/506374190.db2.gz JMDYGVBOORMJTR-RYUDHWBXSA-N 0 0 366.374 2.685 50 5 FFBARN Cc1ccc(N2C[C@@H](NC(=O)c3cccc([N+](=O)[O-])c3C)CC2=O)cc1 ZINC000004496976 506378274 /nfs/dbraw/zinc/37/82/74/506378274.db2.gz IJNAQBVGUSJWIQ-AWEZNQCLSA-N 0 0 353.378 2.747 50 5 FFBARN CC(C)CN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000004504735 506379038 /nfs/dbraw/zinc/37/90/38/506379038.db2.gz VTXWKGZIJTYWBF-GFCCVEGCSA-N 0 0 374.846 2.534 50 5 FFBARN CN1c2ccc(Cl)cc2[C@@](O)(CC(=O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000004555358 506381646 /nfs/dbraw/zinc/38/16/46/506381646.db2.gz SMDQRZLHQNTVLW-KRWDZBQOSA-N 0 0 360.753 2.685 50 5 FFBARN COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(OC)c1 ZINC000004550575 506381664 /nfs/dbraw/zinc/38/16/64/506381664.db2.gz TWAIQPLDAOTLSE-UHFFFAOYSA-N 0 0 371.393 2.574 50 5 FFBARN O=C(Cc1ccc(F)cc1)Nc1cc(SCCO)cc([N+](=O)[O-])c1 ZINC000004577658 506382923 /nfs/dbraw/zinc/38/29/23/506382923.db2.gz JTDHCLCZUXHJIM-UHFFFAOYSA-N 0 0 350.371 3.000 50 5 FFBARN Cc1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccc1[N+](=O)[O-] ZINC000004600474 506384326 /nfs/dbraw/zinc/38/43/26/506384326.db2.gz KOHIDIRIXDFQOF-UHFFFAOYSA-N 0 0 370.365 2.774 50 5 FFBARN O=C(c1ccc([N+](=O)[O-])cc1)N1NC2=C(CCCC2)[C@]1(O)C(F)(F)F ZINC000004725159 506391434 /nfs/dbraw/zinc/39/14/34/506391434.db2.gz KVXMFALNGFOCRG-RISCZKNCSA-N 0 0 357.288 2.848 50 5 FFBARN Nc1ccc(C(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000004869356 506400565 /nfs/dbraw/zinc/40/05/65/506400565.db2.gz UBLHRGKGNJHOGP-MRXNPFEDSA-N 0 0 369.377 2.528 50 5 FFBARN O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1ccc(N2CCOCC2)cc1 ZINC000037867303 506432598 /nfs/dbraw/zinc/43/25/98/506432598.db2.gz IWYREMYATZTVON-UHFFFAOYSA-N 0 0 374.422 2.557 50 5 FFBARN O=C(NCc1ccccc1Cn1cncn1)c1ccc([N+](=O)[O-])cc1Cl ZINC000040081411 506463261 /nfs/dbraw/zinc/46/32/61/506463261.db2.gz NOIYNURGCDCXMG-UHFFFAOYSA-N 0 0 371.784 2.818 50 5 FFBARN C[C@H](OC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cn1 ZINC000005958619 506463834 /nfs/dbraw/zinc/46/38/34/506463834.db2.gz GBQZZGVPOPOBIC-JTQLQIEISA-N 0 0 363.757 2.756 50 5 FFBARN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1cccnc1OC1CCCC1 ZINC000040089443 506464863 /nfs/dbraw/zinc/46/48/63/506464863.db2.gz LAFOWPDNCSFQGG-UHFFFAOYSA-N 0 0 356.382 2.945 50 5 FFBARN CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])c1C ZINC000006047518 506464956 /nfs/dbraw/zinc/46/49/56/506464956.db2.gz YUHCWAZJAFSABU-UHFFFAOYSA-N 0 0 373.365 2.846 50 5 FFBARN C[C@H]1c2cccn2CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000006949128 506518822 /nfs/dbraw/zinc/51/88/22/506518822.db2.gz DCUHILDHKMSKBV-JTQLQIEISA-N 0 0 355.803 2.815 50 5 FFBARN O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Br ZINC000007842711 506596309 /nfs/dbraw/zinc/59/63/09/506596309.db2.gz DQTJTVRSILBAIX-AWEZNQCLSA-N 0 0 365.183 2.821 50 5 FFBARN O=C(NCCNc1ccccc1[N+](=O)[O-])c1ccc(N2CCCC2=O)cc1 ZINC000008146060 506627641 /nfs/dbraw/zinc/62/76/41/506627641.db2.gz AWYQPMZIPBMNTK-UHFFFAOYSA-N 0 0 368.393 2.564 50 5 FFBARN CCOc1cc(C(=O)Nn2cnc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000008744597 506666180 /nfs/dbraw/zinc/66/61/80/506666180.db2.gz LOMGZWFKIWDRKN-UHFFFAOYSA-N 0 0 356.338 2.736 50 5 FFBARN COC(=O)c1ccc(C)c(NC(=O)CN2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC000009468313 506697458 /nfs/dbraw/zinc/69/74/58/506697458.db2.gz XZDMHENDIASTDJ-UHFFFAOYSA-N 0 0 369.377 2.691 50 5 FFBARN CC(=O)Nc1ccc(N2C(=O)C/C(=C\c3ccc([N+](=O)[O-])s3)C2=O)cc1 ZINC000009546966 506703404 /nfs/dbraw/zinc/70/34/04/506703404.db2.gz QCLPUEJKMONILS-DHZHZOJOSA-N 0 0 371.374 2.962 50 5 FFBARN COc1cc(C(=O)Nc2nnc(C3CC3)s2)c([N+](=O)[O-])cc1OC ZINC000009912083 506718238 /nfs/dbraw/zinc/71/82/38/506718238.db2.gz YYGZNUDYLFPQLA-UHFFFAOYSA-N 0 0 350.356 2.593 50 5 FFBARN Cc1ccc(C(=O)NCC(=O)N2CCC[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000009958749 506719679 /nfs/dbraw/zinc/71/96/79/506719679.db2.gz XEWYSNAORMSFGE-QGZVFWFLSA-N 0 0 367.405 2.997 50 5 FFBARN COc1ccc(-c2nc(Cn3cc([N+](=O)[O-])ccc3=O)cs2)cc1OC ZINC000011288030 506771388 /nfs/dbraw/zinc/77/13/88/506771388.db2.gz DYBYLEXDDMSKTP-UHFFFAOYSA-N 0 0 373.390 2.946 50 5 FFBARN CCN1CCc2nc(NC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)sc2C1 ZINC000045317245 506949448 /nfs/dbraw/zinc/94/94/48/506949448.db2.gz IFVXCNDUPVUPBZ-UHFFFAOYSA-N 0 0 372.410 2.558 50 5 FFBARN Cc1cccc(C)c1OC[C@@H](O)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000046060869 507070408 /nfs/dbraw/zinc/07/04/08/507070408.db2.gz PRANBZVFYFNJMY-KRWDZBQOSA-N 0 0 368.393 2.910 50 5 FFBARN O=C1c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c32)C(=O)N1c1ccccn1 ZINC000017364048 507124639 /nfs/dbraw/zinc/12/46/39/507124639.db2.gz WZLUIXMSKTWXDV-UHFFFAOYSA-N 0 0 364.273 2.852 50 5 FFBARN COC(=O)c1ccc(OCC(=O)N2CCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000022222673 507283484 /nfs/dbraw/zinc/28/34/84/507283484.db2.gz XNOQWJKESJBNPM-UHFFFAOYSA-N 0 0 370.361 2.740 50 5 FFBARN Cc1ccc([C@@H](CNC(=O)c2cccc(C)c2[N+](=O)[O-])N2CCOCC2)o1 ZINC000022873019 507317948 /nfs/dbraw/zinc/31/79/48/507317948.db2.gz NYPRANVNTDZWPD-MRXNPFEDSA-N 0 0 373.409 2.608 50 5 FFBARN O=[N+]([O-])c1cccc(-c2nccn2C[C@@H](O)c2ccc3c(c2)OCCO3)c1 ZINC000058174322 507379061 /nfs/dbraw/zinc/37/90/61/507379061.db2.gz MIALUKHMDJOXKP-MRXNPFEDSA-N 0 0 367.361 2.963 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1OCC(=O)c1ccc(CNC(C)=O)s1 ZINC000024849882 507444436 /nfs/dbraw/zinc/44/44/36/507444436.db2.gz FVKSHPRTQNSOAV-UHFFFAOYSA-N 0 0 364.379 2.563 50 5 FFBARN O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(C(=O)C2CC2)CC1 ZINC000025164595 507472092 /nfs/dbraw/zinc/47/20/92/507472092.db2.gz AVEMLQCEJBGFTC-UHFFFAOYSA-N 0 0 369.377 2.549 50 5 FFBARN COc1ccccc1Nc1nc(N)nc(COc2cccc([N+](=O)[O-])c2)n1 ZINC000025398498 507496863 /nfs/dbraw/zinc/49/68/63/507496863.db2.gz BRZABQWMZJHRLY-UHFFFAOYSA-N 0 0 368.353 2.693 50 5 FFBARN O=[N+]([O-])c1ccc(NCCNc2ccc3nnc(C(F)(F)F)n3n2)cc1 ZINC000025571176 507511829 /nfs/dbraw/zinc/51/18/29/507511829.db2.gz CFUVFUYHIQRAKB-UHFFFAOYSA-N 0 0 367.291 2.575 50 5 FFBARN Cc1ccsc1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000025999417 507550768 /nfs/dbraw/zinc/55/07/68/507550768.db2.gz LOHGVRSMGIHUKR-UHFFFAOYSA-N 0 0 361.423 2.731 50 5 FFBARN CC(C)OCc1ccccc1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000028043668 507705156 /nfs/dbraw/zinc/70/51/56/507705156.db2.gz ZOSPIQQAGKLFMD-UHFFFAOYSA-N 0 0 364.423 2.998 50 5 FFBARN O=C(CN1CCC(=O)Nc2cc(F)ccc21)Nc1ccc([N+](=O)[O-])cc1 ZINC000072308951 507774568 /nfs/dbraw/zinc/77/45/68/507774568.db2.gz VSIYESUXMBDOBV-UHFFFAOYSA-N 0 0 358.329 2.521 50 5 FFBARN C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CCOc2cccc(F)c2)C1=O ZINC000031662280 507820834 /nfs/dbraw/zinc/82/08/34/507820834.db2.gz PZQUGGFDKJEGPT-SFHVURJKSA-N 0 0 373.340 2.580 50 5 FFBARN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)CCN1C(=O)COc2ccccc21 ZINC000170617596 509681236 /nfs/dbraw/zinc/68/12/36/509681236.db2.gz FJCFSZWBMMUMKY-UHFFFAOYSA-N 0 0 369.377 2.966 50 5 FFBARN O=C(OCc1ccccc1F)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000020857083 526428852 /nfs/dbraw/zinc/42/88/52/526428852.db2.gz JFOHFZUXUMTDGC-UHFFFAOYSA-N 0 0 360.341 2.928 50 5 FFBARN COCCn1c(=O)c2c(=O)c3ccccc3oc2nc1-c1ccccc1F ZINC000002208339 204029229 /nfs/dbraw/zinc/02/92/29/204029229.db2.gz MQOUCCQUJAEDAH-UHFFFAOYSA-N 0 0 366.348 2.955 50 5 FFBARN COc1ccc(C(C)=O)cc1COC(=O)COc1ccccc1[N+](=O)[O-] ZINC000003312975 204090449 /nfs/dbraw/zinc/09/04/49/204090449.db2.gz NXANZSXPRISVCZ-UHFFFAOYSA-N 0 0 359.334 2.928 50 5 FFBARN Cc1sc2ncn3nc([C@H](C)Cn4cc([N+](=O)[O-])cn4)nc3c2c1C ZINC000002808438 204059495 /nfs/dbraw/zinc/05/94/95/204059495.db2.gz DBXHBSYTVCHDTC-MRVPVSSYSA-N 0 0 357.399 2.864 50 5 FFBARN CCSCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000004064411 204119303 /nfs/dbraw/zinc/11/93/03/204119303.db2.gz HJLNZUCMDYEXBK-CQSZACIVSA-N 0 0 365.411 2.519 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1ccccc1F ZINC000003392986 204097258 /nfs/dbraw/zinc/09/72/58/204097258.db2.gz NGFTXBCLWKGRNV-SNVBAGLBSA-N 0 0 362.313 2.927 50 5 FFBARN CCOC(=O)c1sc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)nc1C ZINC000004731565 204159292 /nfs/dbraw/zinc/15/92/92/204159292.db2.gz SDQNRWDTXMUHDP-UHFFFAOYSA-N 0 0 365.367 2.797 50 5 FFBARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 ZINC000004263332 204129821 /nfs/dbraw/zinc/12/98/21/204129821.db2.gz WJAXWNATDNUXOF-KRWDZBQOSA-N 0 0 367.361 2.966 50 5 FFBARN C[C@@H]1C[C@@H](C)CN(c2c([N+](=O)[O-])nn(-c3ccc(Cl)cc3)[n+]2[O-])C1 ZINC000004923136 204176865 /nfs/dbraw/zinc/17/68/65/204176865.db2.gz ATULDVMPMCBUKH-GHMZBOCLSA-N 0 0 351.794 2.550 50 5 FFBARN O=[N+]([O-])c1cccc(/C=C2\CCc3cnn([C@H]4CCS(=O)(=O)C4)c32)c1 ZINC000004945999 204179636 /nfs/dbraw/zinc/17/96/36/204179636.db2.gz BONNIDXNLFPSSE-OIQJVACTSA-N 0 0 359.407 2.638 50 5 FFBARN Cc1ccc(N2C(=O)C[C@]3(CC(c4ccc([N+](=O)[O-])cc4)=NO3)C2=O)cc1 ZINC000005055026 204188534 /nfs/dbraw/zinc/18/85/34/204188534.db2.gz MYWHFLYOLAXXJZ-LJQANCHMSA-N 0 0 365.345 2.730 50 5 FFBARN O=C1C[C@@]2(CC(c3ccc([N+](=O)[O-])cc3)=NO2)C(=O)N1c1ccc(F)cc1 ZINC000005066156 204189517 /nfs/dbraw/zinc/18/95/17/204189517.db2.gz YWQPRQMRTVWFJR-SFHVURJKSA-N 0 0 369.308 2.561 50 5 FFBARN COc1cccc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000006486801 204250159 /nfs/dbraw/zinc/25/01/59/204250159.db2.gz IMCNCKVJQGXOMZ-LLVKDONJSA-N 0 0 374.349 2.796 50 5 FFBARN Cc1cc(NC(=O)CN2C(=O)CC3(CCCCC3)C2=O)c([N+](=O)[O-])cc1C ZINC000007046751 204286658 /nfs/dbraw/zinc/28/66/58/204286658.db2.gz HGIKFNQILDUVOP-UHFFFAOYSA-N 0 0 373.409 2.860 50 5 FFBARN C[C@H](Oc1ccccc1)C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000007159629 204290676 /nfs/dbraw/zinc/29/06/76/204290676.db2.gz OVTAKIKSRJRFSS-LBPRGKRZSA-N 0 0 359.334 2.972 50 5 FFBARN CNS(=O)(=O)c1ccc(N(C)Cc2ccc(C)cc2C)c([N+](=O)[O-])c1 ZINC000007903236 204310132 /nfs/dbraw/zinc/31/01/32/204310132.db2.gz KDFAHGPZIOARBN-UHFFFAOYSA-N 0 0 363.439 2.756 50 5 FFBARN C[C@@H](CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000008332547 204327113 /nfs/dbraw/zinc/32/71/13/204327113.db2.gz AOHOMEIYPCFWRV-ZDUSSCGKSA-N 0 0 351.366 2.709 50 5 FFBARN CC(=O)Nc1cccc([C@H](C)NC(=O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000036394719 204377779 /nfs/dbraw/zinc/37/77/79/204377779.db2.gz SGKYTNRJWXQZOV-LBPRGKRZSA-N 0 0 357.366 2.809 50 5 FFBARN COc1ccc2[nH]c(=O)c(CN(C)C(=O)c3cccc([N+](=O)[O-])c3)cc2c1 ZINC000009191981 204356751 /nfs/dbraw/zinc/35/67/51/204356751.db2.gz URAIBSMJTSCJRZ-UHFFFAOYSA-N 0 0 367.361 2.717 50 5 FFBARN COc1ccc(N2C[C@H](C(=O)Nc3ccc(C)cc3[N+](=O)[O-])CC2=O)cc1 ZINC000009226937 204359083 /nfs/dbraw/zinc/35/90/83/204359083.db2.gz IVXYRPXXHODXQU-CYBMUJFWSA-N 0 0 369.377 2.903 50 5 FFBARN CCc1nc2c(n1C(C)=O)SC(c1ccc([N+](=O)[O-])cc1)=NN2C(C)=O ZINC000016777630 204642051 /nfs/dbraw/zinc/64/20/51/204642051.db2.gz NMJZZPNFYVQBMY-UHFFFAOYSA-N 0 0 373.394 2.834 50 5 FFBARN COc1ccc(-c2noc(CCNC(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000035673116 204996608 /nfs/dbraw/zinc/99/66/08/204996608.db2.gz LOOVHNJFRQFHQL-UHFFFAOYSA-N 0 0 368.349 2.626 50 5 FFBARN O=c1c(C(F)(F)F)cccn1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000042650510 205097608 /nfs/dbraw/zinc/09/76/08/205097608.db2.gz XXMCLTPSIHZIEA-UHFFFAOYSA-N 0 0 356.256 2.690 50 5 FFBARN Cn1ccnc1[C@](O)(CCNc1ccc(F)cc1[N+](=O)[O-])C(F)(F)F ZINC000045802434 205124413 /nfs/dbraw/zinc/12/44/13/205124413.db2.gz VGAGRCPEIYBVQT-CYBMUJFWSA-N 0 0 362.283 2.720 50 5 FFBARN O=[N+]([O-])c1ccc(CS(=O)(=O)NCCSc2ccccc2)cc1 ZINC000045798177 205124833 /nfs/dbraw/zinc/12/48/33/205124833.db2.gz ZXZOSOWDYFNYHU-UHFFFAOYSA-N 0 0 352.437 2.807 50 5 FFBARN O=C(NCCCOCc1ccco1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000052580128 205185012 /nfs/dbraw/zinc/18/50/12/205185012.db2.gz QQNNXNYOJQTJOE-UHFFFAOYSA-N 0 0 370.365 2.710 50 5 FFBARN O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000058154847 205251303 /nfs/dbraw/zinc/25/13/03/205251303.db2.gz ADHYWYGYUYFQJT-KKNUOHPOSA-N 0 0 367.409 2.826 50 5 FFBARN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000058160915 205251763 /nfs/dbraw/zinc/25/17/63/205251763.db2.gz HPGJFSQSGOEBLG-CPUCHLNUSA-N 0 0 362.430 2.700 50 5 FFBARN O=C(NCc1ccccc1[N+](=O)[O-])c1cccc(CN2CCCC2=O)c1 ZINC000059306906 205280760 /nfs/dbraw/zinc/28/07/60/205280760.db2.gz RCWIMWSCEGPOAE-UHFFFAOYSA-N 0 0 353.378 2.647 50 5 FFBARN CCOC(=O)CN(C(=O)COc1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000059012770 205279834 /nfs/dbraw/zinc/27/98/34/205279834.db2.gz DEKMYAFPMYVJCX-UHFFFAOYSA-N 0 0 372.377 2.878 50 5 FFBARN COc1cccc(-c2noc(CNC(=O)c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000096277899 205870958 /nfs/dbraw/zinc/87/09/58/205870958.db2.gz XJKPXZAGICPBPU-UHFFFAOYSA-N 0 0 354.322 2.583 50 5 FFBARN CCCCN(C)C(=O)C1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000048273907 206082411 /nfs/dbraw/zinc/08/24/11/206082411.db2.gz SNICQTVGDCQXCR-UHFFFAOYSA-N 0 0 373.457 2.873 50 5 FFBARN O=C(N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccccc1[N+](=O)[O-] ZINC000004497484 206177782 /nfs/dbraw/zinc/17/77/82/206177782.db2.gz KVKSDHBZIIWYRI-LBPRGKRZSA-N 0 0 359.769 2.784 50 5 FFBARN Cc1ccc(N2C[C@@H](NC(=O)c3ccccc3[N+](=O)[O-])CC2=O)cc1C ZINC000004497022 206178161 /nfs/dbraw/zinc/17/81/61/206178161.db2.gz UFBOURGUGADEMV-AWEZNQCLSA-N 0 0 353.378 2.747 50 5 FFBARN CCN(Cc1ccc2c(c1)OCO2)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000007489141 206209105 /nfs/dbraw/zinc/20/91/05/206209105.db2.gz BONQYPBGRRCBDU-UHFFFAOYSA-N 0 0 358.350 2.751 50 5 FFBARN C[C@H](OC(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000007705935 206211650 /nfs/dbraw/zinc/21/16/50/206211650.db2.gz CLHQAKMIHBZIGO-NSHDSACASA-N 0 0 372.333 2.550 50 5 FFBARN C[C@@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000006646328 206203874 /nfs/dbraw/zinc/20/38/74/206203874.db2.gz XELDYPPXWBJDHL-LLVKDONJSA-N 0 0 359.407 2.663 50 5 FFBARN CC[C@H](Sc1ncnc2[nH]cnc21)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000013572007 206302738 /nfs/dbraw/zinc/30/27/38/206302738.db2.gz KLRWJKSIVSBIIS-NSHDSACASA-N 0 0 358.383 2.771 50 5 FFBARN O=[N+]([O-])c1cc(Br)c(N2CCOCC2)c(Br)c1 ZINC000098063975 132231574 /nfs/dbraw/zinc/23/15/74/132231574.db2.gz HGNJTFMXJYHFDU-UHFFFAOYSA-N 0 0 366.009 2.956 50 5 FFBARN Cc1nc(N2C[C@@H](C)O[C@H](C)C2)nc(NCc2ccccc2)c1[N+](=O)[O-] ZINC000036708814 132940282 /nfs/dbraw/zinc/94/02/82/132940282.db2.gz KQLQYQVFYCWXEY-CHWSQXEVSA-N 0 0 357.414 2.919 50 5 FFBARN COc1cccc([C@@H]2c3c(c4ccccc4oc3=O)OC(N)=C2[N+](=O)[O-])c1 ZINC000000716294 506230200 /nfs/dbraw/zinc/23/02/00/506230200.db2.gz SJLQZJOQJWFCNE-CQSZACIVSA-N 0 0 366.329 2.730 50 5 biogenic FFBARN COc1ccc(OC)c(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000000674779 506228746 /nfs/dbraw/zinc/22/87/46/506228746.db2.gz DLCGAWXCZJIQLH-UHFFFAOYSA-N 0 0 361.379 2.739 50 5 FFBARN O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1cccc(Cl)c1 ZINC000000850474 506236884 /nfs/dbraw/zinc/23/68/84/506236884.db2.gz PIEHGHPPNMAQPX-UHFFFAOYSA-N 0 0 373.752 2.873 50 5 FFBARN O=C(NC1CC1)c1ccc(NCCc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC000032869640 506305090 /nfs/dbraw/zinc/30/50/90/506305090.db2.gz KCZXDZSKOCNKHG-UHFFFAOYSA-N 0 0 369.377 2.870 50 5 FFBARN O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1ccnc(N2CCCC2)c1 ZINC000032906155 506309405 /nfs/dbraw/zinc/30/94/05/506309405.db2.gz UCXHAXJPGYAEKT-UHFFFAOYSA-N 0 0 372.450 2.999 50 5 FFBARN C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000033040260 506328149 /nfs/dbraw/zinc/32/81/49/506328149.db2.gz GZNWYFRJXODHLJ-IXDOHACOSA-N 0 0 374.485 2.895 50 5 FFBARN COc1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000004688559 506387979 /nfs/dbraw/zinc/38/79/79/506387979.db2.gz BTOUAEVJKDGETI-UHFFFAOYSA-N 0 0 356.382 2.958 50 5 FFBARN Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C)cc1 ZINC000037275864 506423263 /nfs/dbraw/zinc/42/32/63/506423263.db2.gz IKQUFFXPOUOJQI-AWEZNQCLSA-N 0 0 353.378 2.781 50 5 FFBARN COC(=O)c1cc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)ccc1F ZINC000040079879 506463426 /nfs/dbraw/zinc/46/34/26/506463426.db2.gz TZFDMNMYQDVNDI-UHFFFAOYSA-N 0 0 358.285 2.649 50 5 FFBARN CC(=O)N1CCc2cc(N[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)ccc21 ZINC000012562213 506879867 /nfs/dbraw/zinc/87/98/67/506879867.db2.gz ZGSWCJXDKVARGK-GFCCVEGCSA-N 0 0 368.393 2.943 50 5 FFBARN CCCCc1nnc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)s1 ZINC000013004017 506923226 /nfs/dbraw/zinc/92/32/26/506923226.db2.gz PXEJFUZKBVUXCA-UHFFFAOYSA-N 0 0 373.398 2.622 50 5 FFBARN COC(=O)c1cc(C(=O)OCc2cc(-c3ccco3)on2)cc([N+](=O)[O-])c1 ZINC000018221944 507146509 /nfs/dbraw/zinc/14/65/09/507146509.db2.gz WPSDKUYPKZPPSS-UHFFFAOYSA-N 0 0 372.289 2.986 50 5 FFBARN Cc1ccc(NC(=O)CN(C)Cc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC000019541854 507176911 /nfs/dbraw/zinc/17/69/11/507176911.db2.gz GDEGDJTZJVGETD-UHFFFAOYSA-N 0 0 357.366 2.702 50 5 FFBARN CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)O[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000020945988 507239676 /nfs/dbraw/zinc/23/96/76/507239676.db2.gz ARYSLTABGDLXAB-MRXNPFEDSA-N 0 0 356.294 2.742 50 5 FFBARN O=C(c1ccoc1)N1CCC(Nc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000024207103 507398419 /nfs/dbraw/zinc/39/84/19/507398419.db2.gz CDCDFEZKNLTBPN-UHFFFAOYSA-N 0 0 361.383 2.614 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC000024659943 507427574 /nfs/dbraw/zinc/42/75/74/507427574.db2.gz XHYUMJBVBBMQMU-ZDUSSCGKSA-N 0 0 358.350 2.515 50 5 FFBARN Cc1ccc(NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000024713730 507432747 /nfs/dbraw/zinc/43/27/47/507432747.db2.gz DWZCGTNWPQGFHF-UHFFFAOYSA-N 0 0 368.798 2.969 50 5 FFBARN C[C@H](Cn1cccn1)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000024807500 507440303 /nfs/dbraw/zinc/44/03/03/507440303.db2.gz NVCQUKFZNSJCSW-CQSZACIVSA-N 0 0 357.414 2.600 50 5 FFBARN COc1ccc(CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000027366170 507650726 /nfs/dbraw/zinc/65/07/26/507650726.db2.gz DQSDKDRQBFVMRH-UHFFFAOYSA-N 0 0 355.394 2.867 50 5 FFBARN CNc1ccc(C(=O)NC[C@H](c2ccccc2OC)N(C)C)cc1[N+](=O)[O-] ZINC000027569363 507666774 /nfs/dbraw/zinc/66/67/74/507666774.db2.gz SCFUPTXDYUCQLL-QGZVFWFLSA-N 0 0 372.425 2.678 50 5 FFBARN C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[C@H](C)O1 ZINC000079064709 507929520 /nfs/dbraw/zinc/92/95/20/507929520.db2.gz KEKDZKSTYYDXQC-OCAPTIKFSA-N 0 0 361.167 2.746 50 5 FFBARN CNC(=O)c1ccc(N(Cc2ccccc2)[C@H](C)CCO)c([N+](=O)[O-])c1 ZINC000092962679 508110969 /nfs/dbraw/zinc/11/09/69/508110969.db2.gz SUCZHEHPPCEQAB-CQSZACIVSA-N 0 0 357.410 2.732 50 5 FFBARN CS(=O)(=O)c1ccc(C(=O)N(C2CC2)C2CCCC2)cc1[N+](=O)[O-] ZINC000075633553 508123470 /nfs/dbraw/zinc/12/34/70/508123470.db2.gz UEGRPOQZCRAPIY-UHFFFAOYSA-N 0 0 352.412 2.546 50 5 FFBARN CCCCCn1ccc2cc3ccn(-c4nnc(C)[nH]4)c(=O)c3cc2c1=O ZINC000095115672 508173772 /nfs/dbraw/zinc/17/37/72/508173772.db2.gz MVUYIUXSUSISOR-UHFFFAOYSA-N 0 0 363.421 2.922 50 5 FFBARN COC(=O)[C@@H](C)NC(=O)c1ccc(N2CCCCCCC2)c([N+](=O)[O-])c1 ZINC000084098749 508265469 /nfs/dbraw/zinc/26/54/69/508265469.db2.gz ZJKKCJCRSNTBOX-CYBMUJFWSA-N 0 0 363.414 2.657 50 5 FFBARN COc1ccc([N+](=O)[O-])c(N2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)c1 ZINC000230277179 509435505 /nfs/dbraw/zinc/43/55/05/509435505.db2.gz AKLMTCGIMJQNNS-UXHICEINSA-N 0 0 369.421 2.693 50 5 FFBARN CN(C)C(=O)CN(C)C(=O)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 ZINC000253417171 509880387 /nfs/dbraw/zinc/88/03/87/509880387.db2.gz KESBUYRGFLQMGV-UHFFFAOYSA-N 0 0 373.434 2.906 50 5 FFBARN O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CC(C(F)(F)F)C1 ZINC000253426982 509880555 /nfs/dbraw/zinc/88/05/55/509880555.db2.gz CQMPWKOPTDFXDB-UHFFFAOYSA-N 0 0 360.260 2.590 50 5 FFBARN COC(=O)[C@@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])C(C)C ZINC000253428207 509883084 /nfs/dbraw/zinc/88/30/84/509883084.db2.gz PNDGKFWZPIMDPK-AWEZNQCLSA-N 0 0 357.366 2.584 50 5 FFBARN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000245224693 509884678 /nfs/dbraw/zinc/88/46/78/509884678.db2.gz BRTBDCZMCJQSEH-MJEQTWJJSA-N 0 0 358.398 2.708 50 5 FFBARN CC(C)Cn1ncc2cc(C(=O)NCCc3cccc([N+](=O)[O-])c3)cnc21 ZINC000089835269 519537889 /nfs/dbraw/zinc/53/78/89/519537889.db2.gz UWIFHMURUWJJOH-UHFFFAOYSA-N 0 0 367.409 2.968 50 5 FFBARN Cc1ccc(NC(=O)CSc2nnnn2C2CCCC2)cc1[N+](=O)[O-] ZINC000013005069 525086520 /nfs/dbraw/zinc/08/65/20/525086520.db2.gz WNVXYHGLBRZBPB-UHFFFAOYSA-N 0 0 362.415 2.736 50 5 FFBARN CC(=O)c1ccc(N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000001053759 534851056 /nfs/dbraw/zinc/85/10/56/534851056.db2.gz FWPXMQAOGQMDFJ-UHFFFAOYSA-N 0 0 353.378 2.760 50 5 FFBARN O=C(/C=C\c1cc2c(cc1[N+](=O)[O-])OCO2)Nc1ccc2c(c1)OCCO2 ZINC000096878924 964059010 /nfs/dbraw/zinc/05/90/10/964059010.db2.gz WCBDYXYAFCFUMW-RJRFIUFISA-N 0 0 370.317 2.747 50 5 FFBARN COc1cc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc2c1OCO2 ZINC000055031458 1018241494 /nfs/dbraw/zinc/24/14/94/1018241494.db2.gz FMOLHHICKNMUMF-UHFFFAOYSA-N 0 0 371.393 2.654 50 5 FFBARN Cc1ccc(O[C@@H](C(=O)N2CCOCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000007181268 219794816 /nfs/dbraw/zinc/79/48/16/219794816.db2.gz QGZIMLHSVWPOQZ-GOSISDBHSA-N 0 0 356.378 2.882 50 5 FFBARN CC(=O)Nc1ccc(NC(=O)CCCn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000001429852 204007584 /nfs/dbraw/zinc/00/75/84/204007584.db2.gz JVVLZBOBYIPXLW-UHFFFAOYSA-N 0 0 359.386 2.785 50 5 FFBARN COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000001464521 204010025 /nfs/dbraw/zinc/01/00/25/204010025.db2.gz KCEGUEFIAVHRBT-HNNXBMFYSA-N 0 0 357.322 2.656 50 5 FFBARN O=C(Nc1cc(SCCO)cc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000002503741 204043026 /nfs/dbraw/zinc/04/30/26/204043026.db2.gz MXLKSHWFYLMHNO-UHFFFAOYSA-N 0 0 362.363 2.660 50 5 FFBARN Cc1nc(-c2ccc([N+](=O)[O-])cc2)nn1CNC(=O)c1ccc(C)cc1 ZINC000003082477 204078534 /nfs/dbraw/zinc/07/85/34/204078534.db2.gz CIRZVQJWASAOFU-UHFFFAOYSA-N 0 0 351.366 2.858 50 5 FFBARN Cc1cc(=O)oc2ccc(OC(=O)COc3ccccc3[N+](=O)[O-])cc12 ZINC000002725706 204053060 /nfs/dbraw/zinc/05/30/60/204053060.db2.gz VXNNXRYNZJDWMM-UHFFFAOYSA-N 0 0 355.302 2.994 50 5 FFBARN COC(=O)c1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc([N+](=O)[O-])c1 ZINC000002743030 204054259 /nfs/dbraw/zinc/05/42/59/204054259.db2.gz NYCDASDKBZMRMZ-UHFFFAOYSA-N 0 0 363.257 2.681 50 5 FFBARN Cc1c(Cl)cccc1NC(=O)c1ccn(Cn2cc([N+](=O)[O-])cn2)n1 ZINC000002787818 204056639 /nfs/dbraw/zinc/05/66/39/204056639.db2.gz PXJKOEKZSCFQJZ-UHFFFAOYSA-N 0 0 360.761 2.708 50 5 FFBARN O=C(NCc1ccc(F)cc1)c1ccccc1Cn1cc([N+](=O)[O-])cn1 ZINC000002795460 204057825 /nfs/dbraw/zinc/05/78/25/204057825.db2.gz DYWSWZYEBIBTFX-UHFFFAOYSA-N 0 0 354.341 2.909 50 5 FFBARN O=C([O-])[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCC1=CCCCC1 ZINC000002852846 204062159 /nfs/dbraw/zinc/06/21/59/204062159.db2.gz QXGYVMCWQXLZCL-INIZCTEOSA-N 0 0 361.398 2.857 50 5 FFBARN Cc1cc(OC(=O)c2cccc([N+](=O)[O-])c2)ccc1N1C(=O)CCC1=O ZINC000002860813 204063147 /nfs/dbraw/zinc/06/31/47/204063147.db2.gz DLICSSLDMJIJTB-UHFFFAOYSA-N 0 0 354.318 2.776 50 5 FFBARN CCCCOC(=O)C1C(C)=Nc2ncnn2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000003907121 204115146 /nfs/dbraw/zinc/11/51/46/204115146.db2.gz UERDQUGJKKYWFK-HNNXBMFYSA-N 0 0 357.370 2.819 50 5 FFBARN Nn1c(Cc2ccccc2F)nnc1SCc1ccc([N+](=O)[O-])cc1 ZINC000003520423 204104786 /nfs/dbraw/zinc/10/47/86/204104786.db2.gz UYMFIDMIOUFBFN-UHFFFAOYSA-N 0 0 359.386 2.922 50 5 FFBARN CN1C2=C(C(=O)N(c3ccc([N+](=O)[O-])cc3)C2)[C@H](c2ccccc2)NC1=O ZINC000004726729 204159626 /nfs/dbraw/zinc/15/96/26/204159626.db2.gz ZPXSNTMZLSLATH-KRWDZBQOSA-N 0 0 364.361 2.592 50 5 FFBARN CCCC1=Nc2ncnn2[C@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OCC ZINC000004777016 204162690 /nfs/dbraw/zinc/16/26/90/204162690.db2.gz PYNMSDZSXQLGKT-OAHLLOKOSA-N 0 0 357.370 2.819 50 5 FFBARN CC1=C(C(=O)O[C@@H]2CCC[C@@H]2C)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 ZINC000004256033 204129324 /nfs/dbraw/zinc/12/93/24/204129324.db2.gz BQRURLIZQQYDGS-DRZCJDIDSA-N 0 0 359.382 2.955 50 5 FFBARN COc1cc2c(cc1OC)CN(C(=O)COc1ccc([N+](=O)[O-])cc1)CC2 ZINC000005111592 204191561 /nfs/dbraw/zinc/19/15/61/204191561.db2.gz SOSANADIJCUBJM-UHFFFAOYSA-N 0 0 372.377 2.576 50 5 FFBARN C[C@@H](Sc1nnc2ccccn21)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000005212918 204198242 /nfs/dbraw/zinc/19/82/42/204198242.db2.gz CNEMDKINOKEPJE-SECBINFHSA-N 0 0 361.358 2.896 50 5 FFBARN COc1cc(/C=C/C(=O)Oc2cccc([N+](=O)[O-])c2)cc2c1OCCO2 ZINC000007782200 204306772 /nfs/dbraw/zinc/30/67/72/204306772.db2.gz PZDPLEJBBOGZIP-AATRIKPKSA-N 0 0 357.318 2.993 50 5 FFBARN O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Br ZINC000007842712 204308832 /nfs/dbraw/zinc/30/88/32/204308832.db2.gz DQTJTVRSILBAIX-CQSZACIVSA-N 0 0 365.183 2.821 50 5 FFBARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000008328946 204327499 /nfs/dbraw/zinc/32/74/99/204327499.db2.gz LLKLGZZDRRBRDV-UHFFFAOYSA-N 0 0 368.397 2.849 50 5 FFBARN C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CCOc2ccc(F)cc2)C1=O ZINC000008645842 204337653 /nfs/dbraw/zinc/33/76/53/204337653.db2.gz JYFHXRYGALUOTQ-GOSISDBHSA-N 0 0 373.340 2.580 50 5 FFBARN Cc1ccc(-c2nonc2NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000008915701 204348818 /nfs/dbraw/zinc/34/88/18/204348818.db2.gz JZVRKZNSFPHMQX-UHFFFAOYSA-N 0 0 354.322 2.971 50 5 FFBARN Cc1ccc(OCCCCN2C(=O)c3ccccc3C2=O)c([N+](=O)[O-])n1 ZINC000009121226 204355373 /nfs/dbraw/zinc/35/53/73/204355373.db2.gz MJEZBTFPMUBSFT-UHFFFAOYSA-N 0 0 355.350 2.753 50 5 FFBARN COc1cc(/C=C/C(=O)Nc2ccn(C)n2)c([N+](=O)[O-])cc1OC(F)F ZINC000009314205 204362223 /nfs/dbraw/zinc/36/22/23/204362223.db2.gz XKAVQBSSDJNORE-ONEGZZNKSA-N 0 0 368.296 2.590 50 5 FFBARN O=[N+]([O-])c1ccccc1NCCNc1ccc2nnc(C(F)(F)F)n2n1 ZINC000009321988 204363946 /nfs/dbraw/zinc/36/39/46/204363946.db2.gz OPFPSCAINOXZHR-UHFFFAOYSA-N 0 0 367.291 2.575 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1ncc2ccccn21 ZINC000009467037 204369601 /nfs/dbraw/zinc/36/96/01/204369601.db2.gz KBJRQTUIPFNPSD-UHFFFAOYSA-N 0 0 358.379 2.982 50 5 FFBARN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000015095432 204604688 /nfs/dbraw/zinc/60/46/88/204604688.db2.gz OFXGLZAOHRTQBH-AWEZNQCLSA-N 0 0 365.393 2.938 50 5 FFBARN CCc1onc(C)c1[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000033087001 204956755 /nfs/dbraw/zinc/95/67/55/204956755.db2.gz INNKLMPUOGPVFN-CQSZACIVSA-N 0 0 365.411 2.979 50 5 FFBARN Cc1nn(C)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCO3)SCC(=O)N2 ZINC000061720331 205286778 /nfs/dbraw/zinc/28/67/78/205286778.db2.gz QLRWYZBWWFANFG-CQSZACIVSA-N 0 0 362.367 2.790 50 5 FFBARN CS(=O)(=O)c1ccc(N[C@@H]2CCCC[C@H]2n2cccn2)c([N+](=O)[O-])c1 ZINC000072307297 205506464 /nfs/dbraw/zinc/50/64/64/205506464.db2.gz MSARCKFXDSCXHQ-UKRRQHHQSA-N 0 0 364.427 2.791 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1ccccc1OC ZINC000003466007 206161767 /nfs/dbraw/zinc/16/17/67/206161767.db2.gz NGGMCFLZJVIDET-NSHDSACASA-N 0 0 374.349 2.796 50 5 FFBARN Cc1csc(NC(=O)C2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000058168210 206394744 /nfs/dbraw/zinc/39/47/44/206394744.db2.gz FZMAFBUKJXPLPC-UHFFFAOYSA-N 0 0 374.422 2.851 50 5 FFBARN Cc1ccc([C@H](CNC(=O)c2cccc(C)c2[N+](=O)[O-])N2CCOCC2)o1 ZINC000022873024 206395482 /nfs/dbraw/zinc/39/54/82/206395482.db2.gz NYPRANVNTDZWPD-INIZCTEOSA-N 0 0 373.409 2.608 50 5 FFBARN NC(=O)C1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000006866831 132258660 /nfs/dbraw/zinc/25/86/60/132258660.db2.gz WTIISBPFCHKRHK-UHFFFAOYSA-N 0 0 353.378 2.528 50 5 FFBARN CCOc1ccc(N2C(=O)Cc3ccc(OC)cc3C2=O)c([N+](=O)[O-])c1 ZINC000006844896 132258790 /nfs/dbraw/zinc/25/87/90/132258790.db2.gz XBJXITJWPPFLSB-UHFFFAOYSA-N 0 0 356.334 2.732 50 5 FFBARN O=C(NCc1ccccc1F)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000004901396 132825266 /nfs/dbraw/zinc/82/52/66/132825266.db2.gz QMBBQISTXXYVMX-UHFFFAOYSA-N 0 0 359.357 2.501 50 5 FFBARN CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc([N+](=O)[O-])ccc1OCC ZINC000000670969 506226444 /nfs/dbraw/zinc/22/64/44/506226444.db2.gz MWKJKUYFXFTTDK-HNNXBMFYSA-N 0 0 363.370 2.527 50 5 FFBARN Cn1c2c3cnc4ccccc4n3c(-c3ccccc3)c2c(=O)n(C)c1=O ZINC000000804801 506233426 /nfs/dbraw/zinc/23/34/26/506233426.db2.gz YVZVATKCIBNZNI-UHFFFAOYSA-N 0 0 356.385 2.705 50 5 FFBARN COc1ccc(-c2cnc(NC(=O)c3cccc([N+](=O)[O-])c3)n2C)cc1 ZINC000000819548 506235262 /nfs/dbraw/zinc/23/52/62/506235262.db2.gz AUMIKOQFGMBSLI-UHFFFAOYSA-N 0 0 352.350 2.678 50 5 FFBARN Cc1nc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc1C(=O)N(C)C ZINC000001113463 506250652 /nfs/dbraw/zinc/25/06/52/506250652.db2.gz ZXRJYFAXNDYYRX-BQYQJAHWSA-N 0 0 360.395 2.713 50 5 FFBARN CCOC(=O)c1ccccc1NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000001206529 506253853 /nfs/dbraw/zinc/25/38/53/506253853.db2.gz KEUXLTCDNYXNEW-UHFFFAOYSA-N 0 0 372.333 2.810 50 5 FFBARN CC1CCN(S(=O)(=O)c2ccc(N(C)C3CC3)c([N+](=O)[O-])c2)CC1 ZINC000032823980 506300281 /nfs/dbraw/zinc/30/02/81/506300281.db2.gz PKMRZCFPVWOELT-UHFFFAOYSA-N 0 0 353.444 2.614 50 5 FFBARN Cc1nc(CCNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cs1 ZINC000032939051 506316088 /nfs/dbraw/zinc/31/60/88/506316088.db2.gz GOWZPLKJNMOYSY-UHFFFAOYSA-N 0 0 357.395 2.518 50 5 FFBARN COC(=O)c1cccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000005000154 506414214 /nfs/dbraw/zinc/41/42/14/506414214.db2.gz WGMYNIRRKXOJCE-UHFFFAOYSA-N 0 0 364.379 2.799 50 5 FFBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000012390971 506857509 /nfs/dbraw/zinc/85/75/09/506857509.db2.gz RAOXDKLGZBGTHG-CQSZACIVSA-N 0 0 351.366 2.657 50 5 FFBARN Nc1ccc(C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)cc1[N+](=O)[O-] ZINC000012539942 506873826 /nfs/dbraw/zinc/87/38/26/506873826.db2.gz HCRGBFXOFMWZBT-HNNXBMFYSA-N 0 0 357.366 2.987 50 5 FFBARN COc1cc(C(=O)NCCOc2ccccc2F)c([N+](=O)[O-])cc1OC ZINC000012770727 506897903 /nfs/dbraw/zinc/89/79/03/506897903.db2.gz VNLMRWYRNCUUKI-UHFFFAOYSA-N 0 0 364.329 2.560 50 5 FFBARN O=[N+]([O-])c1ccc(S(=O)(=O)NC2CCC(C(F)(F)F)CC2)cc1 ZINC000012782963 506900462 /nfs/dbraw/zinc/90/04/62/506900462.db2.gz DBNFVXOKUHNZNH-UHFFFAOYSA-N 0 0 352.334 2.994 50 5 FFBARN Cc1cc([C@H]2CCCN2S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)no1 ZINC000012948902 506918268 /nfs/dbraw/zinc/91/82/68/506918268.db2.gz ODEMPCJXNBNRBT-CQSZACIVSA-N 0 0 351.384 2.725 50 5 FFBARN O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1CCc2sccc2C1 ZINC000014804069 507000513 /nfs/dbraw/zinc/00/05/13/507000513.db2.gz ONAIMTMQHVOJJC-UHFFFAOYSA-N 0 0 373.434 2.691 50 5 FFBARN CCOC(=O)C1=C(C)N(CC)C(=O)N[C@@H]1c1ccc(OC)c([N+](=O)[O-])c1 ZINC000015016958 507012101 /nfs/dbraw/zinc/01/21/01/507012101.db2.gz LEMRLNVKFMWNBS-OAHLLOKOSA-N 0 0 363.370 2.527 50 5 FFBARN Cc1ccn2c(c1)nc(C)c(NC(=O)c1ccc([N+](=O)[O-])c(C)c1)c2=O ZINC000015865277 507064971 /nfs/dbraw/zinc/06/49/71/507064971.db2.gz ATBBYRVHUBOOEC-UHFFFAOYSA-N 0 0 352.350 2.780 50 5 FFBARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccccc1[N+](=O)[O-] ZINC000019204753 507157609 /nfs/dbraw/zinc/15/76/09/507157609.db2.gz WFNGAIVVQLEDRI-UHFFFAOYSA-N 0 0 374.393 2.956 50 5 FFBARN COc1cc(CN2CC[NH+](Cc3ccccc3)CC2)cc([N+](=O)[O-])c1[O-] ZINC000019537477 507176737 /nfs/dbraw/zinc/17/67/37/507176737.db2.gz ZSASJJCKLIHXAY-UHFFFAOYSA-N 0 0 357.410 2.627 50 5 FFBARN CCOc1ccc(S(=O)(=O)n2c(C)ncc2[N+](=O)[O-])c2ccccc12 ZINC000019943360 507207149 /nfs/dbraw/zinc/20/71/49/507207149.db2.gz CTORBJSVRSYXRM-UHFFFAOYSA-N 0 0 361.379 2.889 50 5 FFBARN O=c1[nH]c2cc([N+](=O)[O-])ccc2nc1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000020806679 507235565 /nfs/dbraw/zinc/23/55/65/507235565.db2.gz DZIKUJXKMRFTNO-UHFFFAOYSA-N 0 0 360.713 2.984 50 5 FFBARN O=C(CN1CSCC1=O)OCc1cc(=O)oc2ccc3ccccc3c12 ZINC000021374405 507252087 /nfs/dbraw/zinc/25/20/87/507252087.db2.gz NGWANYFWTCDAQH-UHFFFAOYSA-N 0 0 369.398 2.522 50 5 FFBARN COc1ccc(NC(=O)N(C)Cc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC000023392756 507350599 /nfs/dbraw/zinc/35/05/99/507350599.db2.gz OEWKVEWPVKUISW-UHFFFAOYSA-N 0 0 359.338 2.996 50 5 FFBARN CC(C)(C)OC(=O)N1CCC(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000058407682 507414245 /nfs/dbraw/zinc/41/42/45/507414245.db2.gz RMGOSKGIDOVKIK-UHFFFAOYSA-N 0 0 363.414 2.858 50 5 FFBARN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000026865359 507615299 /nfs/dbraw/zinc/61/52/99/507615299.db2.gz QMZIAYCOHBBECT-LBPRGKRZSA-N 0 0 368.798 2.530 50 5 FFBARN CCSc1nc2c(n1C)CCN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000071414405 507702552 /nfs/dbraw/zinc/70/25/52/507702552.db2.gz AXECXEOFBIOYBP-INIZCTEOSA-N 0 0 362.455 2.532 50 5 FFBARN CCc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1N ZINC000072312575 507775543 /nfs/dbraw/zinc/77/55/43/507775543.db2.gz GKWYWZMFBMSZKM-NSHDSACASA-N 0 0 357.366 2.923 50 5 FFBARN O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000078876339 507914249 /nfs/dbraw/zinc/91/42/49/507914249.db2.gz KULRSRABSJRKII-UHFFFAOYSA-N 0 0 363.233 2.922 50 5 FFBARN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCCC[C@H]1c1ncc[nH]1 ZINC000079092260 507932202 /nfs/dbraw/zinc/93/22/02/507932202.db2.gz PRNHJEANDYWOCD-ZDUSSCGKSA-N 0 0 350.400 2.542 50 5 FFBARN C[C@]1(CCc2ccccc2)CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000075106853 508083444 /nfs/dbraw/zinc/08/34/44/508083444.db2.gz BNNMYMDISSKILM-IBGZPJMESA-N 0 0 354.410 2.938 50 5 FFBARN O=C(Nc1nccs1)c1cc([N+](=O)[O-])ccc1NC(=O)C(F)(F)F ZINC000094992647 508172022 /nfs/dbraw/zinc/17/20/22/508172022.db2.gz SXFVOAWVUJSOTJ-UHFFFAOYSA-N 0 0 360.273 2.804 50 5 FFBARN COC(=O)[C@@H]1c2ccccc2CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000095405168 508184185 /nfs/dbraw/zinc/18/41/85/508184185.db2.gz ZRQLEERNAMZZRX-SFHVURJKSA-N 0 0 356.378 2.746 50 5 FFBARN CN(CCCCNC(=O)c1cc([N+](=O)[O-])c(N)cc1F)c1ccccc1 ZINC000253405950 509877172 /nfs/dbraw/zinc/87/71/72/509877172.db2.gz UMUOZRZNZWWSHN-UHFFFAOYSA-N 0 0 360.389 2.963 50 5 FFBARN CCn1c(=O)c2ccccc2c2c(O)nc(-c3cccc([N+](=O)[O-])c3)n21 ZINC000102224308 570829339 /nfs/dbraw/zinc/82/93/39/570829339.db2.gz UNDAOYKJLGZTDW-UHFFFAOYSA-N 0 0 350.334 2.950 50 5 FFBARN O=C1[C@H](Oc2cccnc2[N+](=O)[O-])CCN1c1ccccc1OC(F)F ZINC000115964068 570927130 /nfs/dbraw/zinc/92/71/30/570927130.db2.gz MOSBZOPBYFCDTP-CYBMUJFWSA-N 0 0 365.292 2.776 50 5 FFBARN CCOC(=O)C1=CN(C)C=C(C(=O)OCC)C1c1ccc([N+](=O)[O-])cc1 ZINC000001123400 219374185 /nfs/dbraw/zinc/37/41/85/219374185.db2.gz SHDNVUAIMVMEMV-UHFFFAOYSA-N 0 0 360.366 2.518 50 5 FFBARN C[C@H](OC(=O)c1ccc([N+](=O)[O-])s1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000003496280 219515033 /nfs/dbraw/zinc/51/50/33/219515033.db2.gz BBAFSOYGHSZXAV-QMMMGPOBSA-N 0 0 364.335 2.569 50 5 FFBARN C[C@@H](C(=O)Nc1nnc(CCc2ccccc2)s1)n1cc([N+](=O)[O-])cn1 ZINC000001432066 204006503 /nfs/dbraw/zinc/00/65/03/204006503.db2.gz LCSGRBAZPVUZKV-NSHDSACASA-N 0 0 372.410 2.628 50 5 FFBARN CCN(CC)C(=O)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O ZINC000001508486 204011318 /nfs/dbraw/zinc/01/13/18/204011318.db2.gz VXAJOPVMCLJVQA-UHFFFAOYSA-N 0 0 367.361 2.877 50 5 FFBARN CCSc1nnc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)s1 ZINC000002187081 204028360 /nfs/dbraw/zinc/02/83/60/204028360.db2.gz CAAOMJNRPWTFSC-UHFFFAOYSA-N 0 0 355.357 2.719 50 5 FFBARN Cc1cc(C)n(C[C@H]2CC(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)n1 ZINC000002199726 204028747 /nfs/dbraw/zinc/02/87/47/204028747.db2.gz TYVWYKYIURXAQM-LLVKDONJSA-N 0 0 362.773 2.641 50 5 FFBARN COCCn1c(=O)c2c(nc1-c1cccs1)oc1ccccc1c2=O ZINC000002359920 204035790 /nfs/dbraw/zinc/03/57/90/204035790.db2.gz LEFBVQRTCFCNLT-UHFFFAOYSA-N 0 0 354.387 2.878 50 5 FFBARN Cn1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nnc1-c1cccnc1 ZINC000002865774 204065297 /nfs/dbraw/zinc/06/52/97/204065297.db2.gz UYXYSYIZFXRWQO-UHFFFAOYSA-N 0 0 355.379 2.760 50 5 FFBARN CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)O[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000003092318 204078813 /nfs/dbraw/zinc/07/88/13/204078813.db2.gz YMUNHWZQVPHLKF-INIZCTEOSA-N 0 0 356.294 2.742 50 5 FFBARN O=C(OCCN1C(=O)c2ccccc2C1=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000003283634 204087104 /nfs/dbraw/zinc/08/71/04/204087104.db2.gz UCOBPEFPUBRVCN-UHFFFAOYSA-N 0 0 374.736 2.701 50 5 FFBARN C[C@@H](Cn1cc(Br)cn1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000002794342 204058159 /nfs/dbraw/zinc/05/81/59/204058159.db2.gz DVDPFIUSOUWDJF-QMMMGPOBSA-N 0 0 371.166 2.968 50 5 FFBARN Cc1nn(C[C@@H](C)c2nc3c4ccccc4ncn3n2)c(C)c1[N+](=O)[O-] ZINC000002806576 204060087 /nfs/dbraw/zinc/06/00/87/204060087.db2.gz VETJZZRNINZYTH-SNVBAGLBSA-N 0 0 351.370 2.803 50 5 FFBARN O=c1c2ccccc2nc(/C=C/c2cccc([N+](=O)[O-])c2)n1CCCO ZINC000004093748 204121095 /nfs/dbraw/zinc/12/10/95/204121095.db2.gz ZUPKJRCGNRNGGM-MDZDMXLPSA-N 0 0 351.362 2.858 50 5 FFBARN CC[C@H](CO)Nc1ccc(-c2nn(C)c(=O)c3ccccc32)cc1[N+](=O)[O-] ZINC000004164339 204125319 /nfs/dbraw/zinc/12/53/19/204125319.db2.gz ASOVKTAKHFUBAA-CYBMUJFWSA-N 0 0 368.393 2.692 50 5 FFBARN O=[N+]([O-])c1ccc(S(=O)(=O)NCCOc2ccc(Cl)cc2)cc1 ZINC000004618848 204150407 /nfs/dbraw/zinc/15/04/07/204150407.db2.gz QFINTLPVEFMBBQ-UHFFFAOYSA-N 0 0 356.787 2.606 50 5 FFBARN Cc1ccc(Nc2nc(N)c([N+](=O)[O-])c(NC[C@@H]3CCCO3)n2)cc1C ZINC000004306165 204131742 /nfs/dbraw/zinc/13/17/42/204131742.db2.gz JKEWGBJXQXXVLM-ZDUSSCGKSA-N 0 0 358.402 2.918 50 5 FFBARN Cc1cc(C(=O)Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)c(C)n1C1CC1 ZINC000004412246 204137921 /nfs/dbraw/zinc/13/79/21/204137921.db2.gz LGDHEPPQGPMKAG-UHFFFAOYSA-N 0 0 366.377 2.941 50 5 FFBARN COc1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1N1CCCC1=O ZINC000005440316 204207969 /nfs/dbraw/zinc/20/79/69/204207969.db2.gz HMILDTNDRAGZSK-UHFFFAOYSA-N 0 0 355.350 2.983 50 5 FFBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1n[nH]c(-c2ccncc2)n1 ZINC000005530899 204213912 /nfs/dbraw/zinc/21/39/12/204213912.db2.gz XRKLUXOKXNMIMQ-UHFFFAOYSA-N 0 0 370.394 2.814 50 5 FFBARN COc1ccc(OCCC(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004979869 204181557 /nfs/dbraw/zinc/18/15/57/204181557.db2.gz UKCRORDOGYECEQ-UHFFFAOYSA-N 0 0 374.349 2.554 50 5 FFBARN Cc1ccc(NC(=O)COC(=O)[C@]2(C)CC2(Cl)Cl)c([N+](=O)[O-])c1 ZINC000005031852 204185946 /nfs/dbraw/zinc/18/59/46/204185946.db2.gz PCEOBFVMNKGCIX-ZDUSSCGKSA-N 0 0 361.181 2.969 50 5 FFBARN O=C(CSC1=NCCS1)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000005945618 204232787 /nfs/dbraw/zinc/23/27/87/204232787.db2.gz OYGLUWHFOGNVJX-UHFFFAOYSA-N 0 0 354.438 2.979 50 5 FFBARN Cc1cc(=O)c(C(=O)NC2CCCCCC2)nn1-c1ccccc1[N+](=O)[O-] ZINC000006509146 204250701 /nfs/dbraw/zinc/25/07/01/204250701.db2.gz TWIVZRLCFHBHHY-UHFFFAOYSA-N 0 0 370.409 2.902 50 5 FFBARN Cc1ccccc1-c1nnn(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000006945533 204283931 /nfs/dbraw/zinc/28/39/31/204283931.db2.gz XIXMHGAMJSSUMA-UHFFFAOYSA-N 0 0 372.772 2.849 50 5 FFBARN O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000006974732 204284594 /nfs/dbraw/zinc/28/45/94/204284594.db2.gz KMSDGVGSVCQZLP-QGZVFWFLSA-N 0 0 364.361 2.739 50 5 FFBARN NS(=O)(=O)c1ccc(NCCCCOc2ccccc2)c([N+](=O)[O-])c1 ZINC000007990050 204314342 /nfs/dbraw/zinc/31/43/42/204314342.db2.gz PJKJNQNYKXMYIA-UHFFFAOYSA-N 0 0 365.411 2.513 50 5 FFBARN Cc1ccc(-c2nonc2NC(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000008915696 204349572 /nfs/dbraw/zinc/34/95/72/204349572.db2.gz WJKZCRRLATWGEM-UHFFFAOYSA-N 0 0 354.322 2.971 50 5 FFBARN C[C@H]1CCCCN1C(=O)COc1cc(N2CCCC2=O)ccc1[N+](=O)[O-] ZINC000008750030 204343546 /nfs/dbraw/zinc/34/35/46/204343546.db2.gz ULPBOUMMCQNKGD-ZDUSSCGKSA-N 0 0 361.398 2.501 50 5 FFBARN COc1cc(C(=O)NCCc2ccco2)c([N+](=O)[O-])cc1OC(F)F ZINC000008751547 204343737 /nfs/dbraw/zinc/34/37/37/204343737.db2.gz AYXUWFBSIGAQHV-UHFFFAOYSA-N 0 0 356.281 2.770 50 5 FFBARN CS(=O)(=O)c1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000012804158 204498140 /nfs/dbraw/zinc/49/81/40/204498140.db2.gz FDESVFZKJMPFLR-UHFFFAOYSA-N 0 0 354.771 2.904 50 5 FFBARN Cc1cc([C@@H]2CCCN2S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)no1 ZINC000012948899 204512574 /nfs/dbraw/zinc/51/25/74/204512574.db2.gz ODEMPCJXNBNRBT-AWEZNQCLSA-N 0 0 351.384 2.725 50 5 FFBARN COCCOc1cc([N+](=O)[O-])c(C(=O)N(C)c2ccccc2)cc1OC ZINC000022021309 204766612 /nfs/dbraw/zinc/76/66/12/204766612.db2.gz DBDSTCVFESZQEL-UHFFFAOYSA-N 0 0 360.366 2.905 50 5 FFBARN O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccco2)Cc2cccnc2)cc1 ZINC000024864367 204827359 /nfs/dbraw/zinc/82/73/59/204827359.db2.gz FGZJWHIECNCUKY-UHFFFAOYSA-N 0 0 373.390 2.974 50 5 FFBARN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1cccnc1OCC(F)(F)F ZINC000040074512 205052759 /nfs/dbraw/zinc/05/27/59/205052759.db2.gz BGQBDRWPJGOWQG-UHFFFAOYSA-N 0 0 370.287 2.564 50 5 FFBARN COc1ccc(NC(=O)[C@H](C)N(C)Cc2cnc(C)s2)c([N+](=O)[O-])c1 ZINC000040154604 205060782 /nfs/dbraw/zinc/06/07/82/205060782.db2.gz FTPZBIMUHYWMCP-JTQLQIEISA-N 0 0 364.427 2.827 50 5 FFBARN O=C(Nc1ncc([N+](=O)[O-])s1)c1cnc2ccc(Cl)cc2c1O ZINC000044900584 205113453 /nfs/dbraw/zinc/11/34/53/205113453.db2.gz FBSSRYVMSYRDAD-UHFFFAOYSA-N 0 0 350.743 2.799 50 5 FFBARN CCN(Cc1ccccc1)C(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000057028206 205233886 /nfs/dbraw/zinc/23/38/86/205233886.db2.gz ZBOHDZLVDHLSLH-UHFFFAOYSA-N 0 0 355.394 2.682 50 5 FFBARN CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000057764075 205243612 /nfs/dbraw/zinc/24/36/12/205243612.db2.gz KSIBMELGGANTDL-UHFFFAOYSA-N 0 0 352.343 2.780 50 5 FFBARN Cc1cc(C(=O)NCc2nc(Cc3ccccc3)no2)ccc1[N+](=O)[O-] ZINC000057991390 205247671 /nfs/dbraw/zinc/24/76/71/205247671.db2.gz QXOMVCZKODKUOT-UHFFFAOYSA-N 0 0 352.350 2.807 50 5 FFBARN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])s1)N1CCNC(=O)CC1 ZINC000065902760 205361748 /nfs/dbraw/zinc/36/17/48/205361748.db2.gz CHPSOOLJPOXEIR-SOFGYWHQSA-N 0 0 371.418 2.685 50 5 FFBARN O=C(N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000004497485 206178433 /nfs/dbraw/zinc/17/84/33/206178433.db2.gz AEIBBZCCTLGFGY-CYBMUJFWSA-N 0 0 359.769 2.784 50 5 FFBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2cc([N+](=O)[O-])ccc2oc1=O ZINC000004853226 206182032 /nfs/dbraw/zinc/18/20/32/206182032.db2.gz LSSGWWOTDGYBCL-UHFFFAOYSA-N 0 0 355.262 2.862 50 5 FFBARN Cc1ccc(OCCOC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000005391164 206192396 /nfs/dbraw/zinc/19/23/96/206192396.db2.gz PGIAEMYUZVCKOC-UHFFFAOYSA-N 0 0 359.334 2.910 50 5 FFBARN CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000005966140 206199415 /nfs/dbraw/zinc/19/94/15/206199415.db2.gz BVUHETXGAQILNL-NSHDSACASA-N 0 0 371.349 2.737 50 5 FFBARN Cc1ccc(C(=O)NCCNC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1F ZINC000013012495 206300313 /nfs/dbraw/zinc/30/03/13/206300313.db2.gz SPGXLEMTKQWCOG-UHFFFAOYSA-N 0 0 359.357 2.511 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1cccc2c1OCCO2 ZINC000055156695 206341824 /nfs/dbraw/zinc/34/18/24/206341824.db2.gz ADTPBKZJMCSNMH-NSHDSACASA-N 0 0 373.365 2.814 50 5 FFBARN O=C(c1ccccn1)N1CCCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000057140647 206383380 /nfs/dbraw/zinc/38/33/80/206383380.db2.gz WMWPEELGFHHKIW-UHFFFAOYSA-N 0 0 360.801 2.996 50 5 FFBARN COCCNC(=O)c1ccccc1NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000025164888 206416641 /nfs/dbraw/zinc/41/66/41/206416641.db2.gz IJZWSZJBRJEKIZ-UHFFFAOYSA-N 0 0 357.366 2.532 50 5 FFBARN O=C(c1cccc([N+](=O)[O-])c1)N1CCC(c2nnc3ccccn32)CC1 ZINC000028735604 206480319 /nfs/dbraw/zinc/48/03/19/206480319.db2.gz ZYTBUSYXFPYMJT-UHFFFAOYSA-N 0 0 351.366 2.657 50 5 FFBARN COc1ccc(C(=O)N2CCN(c3ccccc3OC)CC2)cc1[N+](=O)[O-] ZINC000000834226 132378933 /nfs/dbraw/zinc/37/89/33/132378933.db2.gz WOIRQJZFVWKCGZ-UHFFFAOYSA-N 0 0 371.393 2.574 50 5 FFBARN CC(=O)N1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000000971850 132379418 /nfs/dbraw/zinc/37/94/18/132379418.db2.gz PNTNSXHRNIJXMP-UHFFFAOYSA-N 0 0 368.393 2.516 50 5 FFBARN Cc1cc(OCC(=O)Nc2ccc(N3CCOCC3)cc2)ccc1[N+](=O)[O-] ZINC000001284588 132381497 /nfs/dbraw/zinc/38/14/97/132381497.db2.gz RMUCSKQZWGRZMN-UHFFFAOYSA-N 0 0 371.393 2.757 50 5 FFBARN COc1ccccc1N1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000003880232 132385806 /nfs/dbraw/zinc/38/58/06/132385806.db2.gz WFKKLTZGUVSXFJ-UHFFFAOYSA-N 0 0 358.354 2.838 50 5 FFBARN C[C@@H](Oc1ccccc1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004663477 132387062 /nfs/dbraw/zinc/38/70/62/132387062.db2.gz MCUKTXHBDIWXGN-OAHLLOKOSA-N 0 0 355.394 2.711 50 5 FFBARN COc1cccc(Nc2nc(N)c([N+](=O)[O-])c(N3CCC[C@H](C)C3)n2)c1 ZINC000009287322 132845553 /nfs/dbraw/zinc/84/55/53/132845553.db2.gz QNQDZMIKRKEKIE-NSHDSACASA-N 0 0 358.402 2.956 50 5 FFBARN O=C(CCNC(=O)c1cccc([N+](=O)[O-])c1)N1CCCc2ccccc21 ZINC000040122548 136119437 /nfs/dbraw/zinc/11/94/37/136119437.db2.gz TXRHKCGHYNZIBS-UHFFFAOYSA-N 0 0 353.378 2.694 50 5 FFBARN C[C@H](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1ccccc1 ZINC000057140765 136128242 /nfs/dbraw/zinc/12/82/42/136128242.db2.gz AXPDEFGTVXIDLW-OAHLLOKOSA-N 0 0 354.410 2.832 50 5 FFBARN O=c1c(=O)c(Nc2ccccc2[N+](=O)[O-])c1Nc1ccccc1[N+](=O)[O-] ZINC000103682825 222341016 /nfs/dbraw/zinc/34/10/16/222341016.db2.gz UAEOLBVNBZFLPD-UHFFFAOYSA-N 0 0 354.278 2.586 50 5 FFBARN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)[C@@H]1CCc2ccccc21 ZINC000058412587 263415966 /nfs/dbraw/zinc/41/59/66/263415966.db2.gz KAFWQVMBCYOQJE-SCLBCKFNSA-N 0 0 367.405 2.859 50 5 FFBARN CCCC1=C[C@](O)(C(F)(F)F)N(C(=O)Cc2ccc([N+](=O)[O-])cc2)N1 ZINC000000845886 506235717 /nfs/dbraw/zinc/23/57/17/506235717.db2.gz HWKFJSRQQSFMRN-AWEZNQCLSA-N 0 0 359.304 2.777 50 5 FFBARN CCOC(=O)C1=C(N)Oc2cc(O)ccc2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000000853678 506237334 /nfs/dbraw/zinc/23/73/34/506237334.db2.gz HJVVJXOJCQJLEC-OAHLLOKOSA-N 0 0 356.334 2.558 50 5 FFBARN COc1ccccc1NC(=O)COc1ccc(/C=C/[N+](=O)[O-])cc1OC ZINC000001158011 506251952 /nfs/dbraw/zinc/25/19/52/506251952.db2.gz HZLQAFLPOXBDTG-MDZDMXLPSA-N 0 0 358.350 2.969 50 5 FFBARN Cc1c(Cl)cc(S(=O)(=O)N(C[C@@H]2CCOC2)C2CC2)cc1[N+](=O)[O-] ZINC000032469291 506257431 /nfs/dbraw/zinc/25/74/31/506257431.db2.gz PHSNJNYXBAHONP-NSHDSACASA-N 0 0 374.846 2.746 50 5 FFBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1cccc(NC(=O)C2CC2)c1 ZINC000032764825 506291510 /nfs/dbraw/zinc/29/15/10/506291510.db2.gz YBQKNZDGJXQBJC-UHFFFAOYSA-N 0 0 355.350 2.961 50 5 FFBARN CCOc1ccc(Cl)cc1C=Cc1[nH]c2ncnn2c(=O)c1[N+](=O)[O-] ZINC000033703579 506361594 /nfs/dbraw/zinc/36/15/94/506361594.db2.gz CGDLDVUASFSFEH-HYXAFXHYSA-N 0 0 361.745 2.961 50 5 FFBARN COc1cccc(OCCNc2cc(N3CCOCC3)ccc2[N+](=O)[O-])c1 ZINC000004181007 506364813 /nfs/dbraw/zinc/36/48/13/506364813.db2.gz RSMIAYBJEBVZMI-UHFFFAOYSA-N 0 0 373.409 2.931 50 5 FFBARN O=C1NC2(CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)Nc2ccccc21 ZINC000034812157 506372055 /nfs/dbraw/zinc/37/20/55/506372055.db2.gz GPFKTTSEXRDHDH-UHFFFAOYSA-N 0 0 352.394 2.742 50 5 FFBARN CNc1cc(N2CCN(C(=O)c3ccc(C)cc3)CC2)ccc1[N+](=O)[O-] ZINC000004703598 506390437 /nfs/dbraw/zinc/39/04/37/506390437.db2.gz JZQFTVJTSWBTFP-UHFFFAOYSA-N 0 0 354.410 2.907 50 5 FFBARN COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 ZINC000005049725 506417592 /nfs/dbraw/zinc/41/75/92/506417592.db2.gz HEOHBUDHTPRGFE-UHFFFAOYSA-N 0 0 357.366 2.692 50 5 FFBARN NC(=O)c1ccsc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000005848207 506459485 /nfs/dbraw/zinc/45/94/85/506459485.db2.gz YWNPATKLWPCOEN-UHFFFAOYSA-N 0 0 374.422 2.998 50 5 FFBARN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1cccc2cccnc21 ZINC000009865558 506716550 /nfs/dbraw/zinc/71/65/50/506716550.db2.gz GVRPDLMMLPDAQO-UHFFFAOYSA-N 0 0 350.334 2.512 50 5 FFBARN Cc1cc(C)c2c(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nn(C)c2n1 ZINC000012446566 506866592 /nfs/dbraw/zinc/86/65/92/506866592.db2.gz ZPTDWEGMVXDPKQ-UHFFFAOYSA-N 0 0 370.325 2.654 50 5 FFBARN O=[N+]([O-])c1ncccc1OS(=O)(=O)c1ccccc1OC(F)(F)F ZINC000012516721 506870117 /nfs/dbraw/zinc/87/01/17/506870117.db2.gz YRIAOWZQEXAHJG-UHFFFAOYSA-N 0 0 364.257 2.656 50 5 FFBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)NC2CC2)cc1 ZINC000012909736 506914842 /nfs/dbraw/zinc/91/48/42/506914842.db2.gz SRJSQSHGYOHDSO-UHFFFAOYSA-N 0 0 355.350 2.505 50 5 FFBARN CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000012933584 506918490 /nfs/dbraw/zinc/91/84/90/506918490.db2.gz XHKIXFGLBWMFFX-UHFFFAOYSA-N 0 0 368.315 2.918 50 5 FFBARN CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000013022483 506925790 /nfs/dbraw/zinc/92/57/90/506925790.db2.gz QJNKDNFKYNRYLV-UHFFFAOYSA-N 0 0 353.378 2.759 50 5 FFBARN O=[N+]([O-])c1cc(-c2nc(-c3cccnc3)no2)ccc1N1CCOCC1 ZINC000020897840 507238204 /nfs/dbraw/zinc/23/82/04/507238204.db2.gz RGUJFDACBNKHOE-UHFFFAOYSA-N 0 0 353.338 2.543 50 5 FFBARN O=C(/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2)NCCc1ccccc1 ZINC000022836359 507312763 /nfs/dbraw/zinc/31/27/63/507312763.db2.gz GFBXHAPCJUYVLV-VOTSOKGWSA-N 0 0 354.362 2.833 50 5 FFBARN COCc1ccc(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000023047692 507326422 /nfs/dbraw/zinc/32/64/22/507326422.db2.gz PATQMOLDDXVBAH-UHFFFAOYSA-N 0 0 359.334 2.965 50 5 FFBARN COc1cc(C(=O)NCCOc2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000023142400 507333038 /nfs/dbraw/zinc/33/30/38/507333038.db2.gz DXDUYTOKIICBNV-UHFFFAOYSA-N 0 0 364.329 2.560 50 5 FFBARN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cnc2ccccc2n1 ZINC000024866286 507445369 /nfs/dbraw/zinc/44/53/69/507445369.db2.gz BDGPPINSHSPQGO-UHFFFAOYSA-N 0 0 367.317 2.762 50 5 FFBARN CN(Cc1cccc([N+](=O)[O-])c1)C(=O)C1CCN(C(=O)c2ccoc2)CC1 ZINC000024948501 507451437 /nfs/dbraw/zinc/45/14/37/507451437.db2.gz HTIRIHAUQZFIJD-UHFFFAOYSA-N 0 0 371.393 2.699 50 5 FFBARN O=C(COC(=O)c1ccccc1[N+](=O)[O-])N1CCCc2cccc(F)c21 ZINC000025264605 507481605 /nfs/dbraw/zinc/48/16/05/507481605.db2.gz YSTQCWUBZOFVFP-UHFFFAOYSA-N 0 0 358.325 2.870 50 5 FFBARN O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(Cn2ccccc2=O)o1 ZINC000030807384 507813557 /nfs/dbraw/zinc/81/35/57/507813557.db2.gz BVGOURHDTYHUGK-UHFFFAOYSA-N 0 0 354.318 2.755 50 5 FFBARN Cc1cc(C2CCN([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000095459842 508186534 /nfs/dbraw/zinc/18/65/34/508186534.db2.gz HJEJCYSCVWETPC-ZDUSSCGKSA-N 0 0 357.414 2.833 50 5 FFBARN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC=C(c2cncc(F)c2)CC1 ZINC000095468717 508187800 /nfs/dbraw/zinc/18/78/00/508187800.db2.gz YZSPYERARSDSDX-UHFFFAOYSA-N 0 0 363.370 2.607 50 5 FFBARN COc1cc(NCc2cccnc2N2CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000089423827 522746845 /nfs/dbraw/zinc/74/68/45/522746845.db2.gz DAYSFJBFASHENH-UHFFFAOYSA-N 0 0 362.361 2.586 50 5 FFBARN Cc1cccc(OCC(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000019790240 524714046 /nfs/dbraw/zinc/71/40/46/524714046.db2.gz TXSACIWJICVRGO-UHFFFAOYSA-N 0 0 369.421 2.626 50 5 FFBARN CN(C)c1ccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1[N+](=O)[O-] ZINC000009617064 203964243 /nfs/dbraw/zinc/96/42/43/203964243.db2.gz NYZCOFYDAAWLNY-UHFFFAOYSA-N 0 0 368.393 2.805 50 5 FFBARN COc1ccc(/C=C2/N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc1OC ZINC000001041618 203976778 /nfs/dbraw/zinc/97/67/78/203976778.db2.gz LPZZENADTAWWJF-RIYZIHGNSA-N 0 0 354.318 2.957 50 5 FFBARN O=C(CSc1nccn1-c1ccc([N+](=O)[O-])cc1)NCc1ccco1 ZINC000002468352 204041281 /nfs/dbraw/zinc/04/12/81/204041281.db2.gz BPTMPHGWXLBJLW-UHFFFAOYSA-N 0 0 358.379 2.782 50 5 FFBARN Cc1sc2nc3c4ccccc4c(NCCCO)nn3c(=O)c2c1C ZINC000001801667 204019489 /nfs/dbraw/zinc/01/94/89/204019489.db2.gz UOQGIPAHPJPBCW-UHFFFAOYSA-N 0 0 354.435 2.869 50 5 FFBARN O=C(CSc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CCOCC1 ZINC000002890900 204066027 /nfs/dbraw/zinc/06/60/27/204066027.db2.gz JTUOLOREPLMYPS-UHFFFAOYSA-N 0 0 365.436 2.669 50 5 FFBARN COc1cccc(/C=C2/N=C(c3cc([N+](=O)[O-])ccc3OC)OC2=O)c1 ZINC000002941823 204069238 /nfs/dbraw/zinc/06/92/38/204069238.db2.gz JXHBVUFPEIBMIA-OQLLNIDSSA-N 0 0 354.318 2.957 50 5 FFBARN CCOc1ncccc1C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003228341 204083822 /nfs/dbraw/zinc/08/38/22/204083822.db2.gz RMTDLVVUIHXREV-LLVKDONJSA-N 0 0 359.338 2.573 50 5 FFBARN O=C(OCc1ccc([N+](=O)[O-])cc1)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000003244987 204084290 /nfs/dbraw/zinc/08/42/90/204084290.db2.gz RHTBBFYTGCNDIJ-INIZCTEOSA-N 0 0 354.362 2.687 50 5 FFBARN O=C(COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)N1CCc2ccccc21 ZINC000003253829 204085952 /nfs/dbraw/zinc/08/59/52/204085952.db2.gz DZYBUEGENUATGU-UHFFFAOYSA-N 0 0 360.753 2.994 50 5 FFBARN Cc1cc(C(=O)COc2cccnc2[N+](=O)[O-])c(C)n1C[C@H]1CCCO1 ZINC000002653737 204049004 /nfs/dbraw/zinc/04/90/04/204049004.db2.gz VGESANCCSAMMEP-CQSZACIVSA-N 0 0 359.382 2.849 50 5 FFBARN COc1cc2c(cc1OC)CN(C(=O)COc1ccccc1[N+](=O)[O-])CC2 ZINC000002644516 204049250 /nfs/dbraw/zinc/04/92/50/204049250.db2.gz MUPDGRRTHZAKSU-UHFFFAOYSA-N 0 0 372.377 2.576 50 5 FFBARN O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@@H](C(=O)N2CCCCCC2)C1 ZINC000002786817 204056604 /nfs/dbraw/zinc/05/66/04/204056604.db2.gz JSVAKABNKQIUQO-OAHLLOKOSA-N 0 0 359.426 2.850 50 5 FFBARN CC(C)CCNC(=O)C(=Cc1ccc([N+](=O)[O-])o1)C(=O)NCCC(C)C ZINC000003321247 204091666 /nfs/dbraw/zinc/09/16/66/204091666.db2.gz MKOCRGZJUCWLPC-UHFFFAOYSA-N 0 0 365.430 2.896 50 5 FFBARN CCSCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000003905769 204115892 /nfs/dbraw/zinc/11/58/92/204115892.db2.gz MJNXHNZYFAAQFQ-AWEZNQCLSA-N 0 0 365.411 2.519 50 5 FFBARN CC1=C(C(=O)O[C@@H]2CCC[C@H]2C)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 ZINC000004066657 204119113 /nfs/dbraw/zinc/11/91/13/204119113.db2.gz MPOGNXFBWLAWGZ-QSGSBWRWSA-N 0 0 359.382 2.955 50 5 FFBARN O=C(CCC(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1 ZINC000004178462 204126590 /nfs/dbraw/zinc/12/65/90/204126590.db2.gz JAUHORJDRCNGGT-UHFFFAOYSA-N 0 0 356.334 2.740 50 5 FFBARN O=C(CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)OCc1ccccc1F ZINC000003392641 204098218 /nfs/dbraw/zinc/09/82/18/204098218.db2.gz SEBHCAYHVRBWHT-UHFFFAOYSA-N 0 0 366.732 2.861 50 5 FFBARN Cc1ccc(C)c(OCCNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000005065605 204189800 /nfs/dbraw/zinc/18/98/00/204189800.db2.gz KDKRGQIJHGSXSD-UHFFFAOYSA-N 0 0 364.423 2.877 50 5 FFBARN CCc1ccccc1Nc1nc(N)nc(Cn2nc(C)c([N+](=O)[O-])c2C)n1 ZINC000005689412 204221336 /nfs/dbraw/zinc/22/13/36/204221336.db2.gz CJAWVMNSBCQJBR-UHFFFAOYSA-N 0 0 368.401 2.530 50 5 FFBARN O=C(OCCCCN1C(=O)c2ccccc2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000007007616 204285878 /nfs/dbraw/zinc/28/58/78/204285878.db2.gz OGULNHNBMXMMAX-UHFFFAOYSA-N 0 0 368.345 2.828 50 5 FFBARN CNc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000008398898 204329803 /nfs/dbraw/zinc/32/98/03/204329803.db2.gz SAJNOUYSRNAJRO-UHFFFAOYSA-N 0 0 361.270 2.705 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000008782331 204346264 /nfs/dbraw/zinc/34/62/64/204346264.db2.gz AQWDCYWJRRZNPH-LBPRGKRZSA-N 0 0 361.398 2.723 50 5 FFBARN COc1ccc2[nH]c(=NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)sc2c1 ZINC000009111457 204354627 /nfs/dbraw/zinc/35/46/27/204354627.db2.gz QZOCGWMMMVDSPF-UHFFFAOYSA-N 0 0 359.363 2.896 50 5 FFBARN COC(=O)c1ccc(O[C@H](C)c2nc3ccccc3c(=O)[nH]2)c([N+](=O)[O-])c1 ZINC000009596669 204375420 /nfs/dbraw/zinc/37/54/20/204375420.db2.gz HNHKLWBMTGXYRM-SNVBAGLBSA-N 0 0 369.333 2.758 50 5 FFBARN O=C(COc1ccc([N+](=O)[O-])cc1-c1cccs1)NC[C@@H]1CCCO1 ZINC000009603112 204375870 /nfs/dbraw/zinc/37/58/70/204375870.db2.gz JKIANHCSZVQKCX-ZDUSSCGKSA-N 0 0 362.407 2.997 50 5 FFBARN C[C@H](OC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000012652756 204483540 /nfs/dbraw/zinc/48/35/40/204483540.db2.gz SPJWEGXSEYKINW-ICIURTGMSA-N 0 0 374.393 2.860 50 5 FFBARN C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000013284571 204527233 /nfs/dbraw/zinc/52/72/33/204527233.db2.gz GZSNHBOFBZYOOY-SECBINFHSA-N 0 0 355.310 2.870 50 5 FFBARN COC(=O)c1ccc(CN(C)Cn2ncc3cc([N+](=O)[O-])ccc32)cc1 ZINC000025476927 204837852 /nfs/dbraw/zinc/83/78/52/204837852.db2.gz YRKJJNHXAQJVHC-UHFFFAOYSA-N 0 0 354.366 2.821 50 5 FFBARN CC(C)NC(=O)N1CCC(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC1 ZINC000032913096 204945447 /nfs/dbraw/zinc/94/54/47/204945447.db2.gz JVQOLFNGTJGDPO-UHFFFAOYSA-N 0 0 352.366 2.502 50 5 FFBARN C[C@@H]1C[C@@H](OC(=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)C(=O)O1 ZINC000032736101 204935906 /nfs/dbraw/zinc/93/59/06/204935906.db2.gz XORVIMMOUXEBFR-MLGOLLRUSA-N 0 0 362.382 2.836 50 5 FFBARN O=c1c2cc3c(ccn(C4CCCCCC4)c3=O)nc2ccn1CCO ZINC000038829336 205043088 /nfs/dbraw/zinc/04/30/88/205043088.db2.gz IYPSQPGOBYFUJD-UHFFFAOYSA-N 0 0 353.422 2.599 50 5 FFBARN CCn1cc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1=O ZINC000047181242 205143313 /nfs/dbraw/zinc/14/33/13/205143313.db2.gz VDWHRWAFABBWOB-UHFFFAOYSA-N 0 0 373.412 2.975 50 5 FFBARN CC[C@@H]1CCCCN1C(=O)CS(=O)(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000048716799 205166648 /nfs/dbraw/zinc/16/66/48/205166648.db2.gz RNSPYONRMNZAGF-OAHLLOKOSA-N 0 0 368.455 2.609 50 5 FFBARN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000058160913 205252305 /nfs/dbraw/zinc/25/23/05/205252305.db2.gz HPGJFSQSGOEBLG-VBQJREDUSA-N 0 0 362.430 2.700 50 5 FFBARN Cc1c(CSc2nnc(N3CCOCC3)s2)cccc1[N+](=O)[O-] ZINC000058167576 205253896 /nfs/dbraw/zinc/25/38/96/205253896.db2.gz GUDVAYVSRLOUPT-UHFFFAOYSA-N 0 0 352.441 2.884 50 5 FFBARN O=C(Cn1ccc([N+](=O)[O-])n1)NC1c2ccccc2Oc2ccccc21 ZINC000058250461 205267116 /nfs/dbraw/zinc/26/71/16/205267116.db2.gz WPRWYLFJUYHDMK-UHFFFAOYSA-N 0 0 350.334 2.803 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC000065553179 205358100 /nfs/dbraw/zinc/35/81/00/205358100.db2.gz IEDSBHSMBXQIOU-ZDUSSCGKSA-N 0 0 373.365 2.907 50 5 FFBARN CN(Cc1ccc2c(c1)OCO2)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000065719524 205361088 /nfs/dbraw/zinc/36/10/88/205361088.db2.gz VDCANWWZUOENFX-UHFFFAOYSA-N 0 0 367.361 2.937 50 5 FFBARN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(C)cc1Br ZINC000065713370 205361465 /nfs/dbraw/zinc/36/14/65/205361465.db2.gz HCVMUNOVCNKQHJ-UHFFFAOYSA-N 0 0 353.176 2.809 50 5 FFBARN CC(=O)Nc1ccc(F)c(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000046354078 206079251 /nfs/dbraw/zinc/07/92/51/206079251.db2.gz CRLXHOWWMQTFCV-UHFFFAOYSA-N 0 0 357.301 2.821 50 5 FFBARN O=C(Nc1nnc(-c2ccc3c(c2)OCCO3)o1)c1ccc([N+](=O)[O-])cc1 ZINC000004264332 206172055 /nfs/dbraw/zinc/17/20/55/206172055.db2.gz PCMOFNLTUNUHRN-UHFFFAOYSA-N 0 0 368.305 2.668 50 5 FFBARN CN(C(=O)COC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000004219474 206172471 /nfs/dbraw/zinc/17/24/71/206172471.db2.gz JAQYNEFFVWKPIK-UHFFFAOYSA-N 0 0 360.391 2.893 50 5 FFBARN CSc1ccccc1NC(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O ZINC000004564004 206179328 /nfs/dbraw/zinc/17/93/28/206179328.db2.gz KPWGCUAMWSEAEQ-UHFFFAOYSA-N 0 0 370.390 2.665 50 5 FFBARN CCCNC(=O)COC(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 ZINC000004839806 206181254 /nfs/dbraw/zinc/18/12/54/206181254.db2.gz NOVVBJSMZVUIMN-UHFFFAOYSA-N 0 0 363.414 2.658 50 5 FFBARN C[C@@H](OC(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000007705937 206211090 /nfs/dbraw/zinc/21/10/90/206211090.db2.gz CLHQAKMIHBZIGO-LLVKDONJSA-N 0 0 372.333 2.550 50 5 FFBARN O=C(Cc1nnc2c3ccccc3ncn2c1=O)c1cc2ccccc2o1 ZINC000007716952 206212206 /nfs/dbraw/zinc/21/22/06/206212206.db2.gz IJMCIGMSEDWWGS-UHFFFAOYSA-N 0 0 356.341 2.809 50 5 FFBARN CC(=O)c1cccc(N2C(=O)C[C@H](Nc3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000102988240 206231983 /nfs/dbraw/zinc/23/19/83/206231983.db2.gz GMSDXAPXLZZPHE-INIZCTEOSA-N 0 0 353.334 2.541 50 5 FFBARN O=C1[C@H]2ON=C(c3cccc([N+](=O)[O-])c3)C2=C(O)N1c1ccc(Cl)cc1 ZINC000103559628 206234398 /nfs/dbraw/zinc/23/43/98/206234398.db2.gz ZHUAXXIMKWNYMN-ZFWWWQNUSA-N 0 0 371.736 2.541 50 5 FFBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000012750444 206294787 /nfs/dbraw/zinc/29/47/87/206294787.db2.gz OXAKCDXSTHFLAB-LLVKDONJSA-N 0 0 367.361 2.654 50 5 FFBARN COc1cccc2c1O[C@]1(N3CCOCC3)CCCC[C@@H]1[C@H]2C[N+](=O)[O-] ZINC000013464385 206302954 /nfs/dbraw/zinc/30/29/54/206302954.db2.gz WZXCWLCTYQZXIV-FRQCXROJSA-N 0 0 362.426 2.667 50 5 FFBARN Cc1c(NC(=O)c2ccccc2OCC(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000019295151 206324592 /nfs/dbraw/zinc/32/45/92/206324592.db2.gz UYPYYZVXTOIYGO-UHFFFAOYSA-N 0 0 357.366 2.623 50 5 FFBARN CCOCCN1CCN(c2cc(OC)c([N+](=O)[O-])cc2F)C[C@H]1CC ZINC000089949233 132200662 /nfs/dbraw/zinc/20/06/62/132200662.db2.gz RNSPHRXIZOVOLO-CYBMUJFWSA-N 0 0 355.410 2.680 50 5 FFBARN O=[N+]([O-])c1ccc(N2CCC[C@H](Cn3cncn3)C2)c(OC(F)F)c1 ZINC000096003762 132216917 /nfs/dbraw/zinc/21/69/17/132216917.db2.gz OSBOBMORJYTUKZ-NSHDSACASA-N 0 0 353.329 2.704 50 5 FFBARN O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1ccc([N+](=O)[O-])o1 ZINC000000877460 132379097 /nfs/dbraw/zinc/37/90/97/132379097.db2.gz WBHLXDZDOUCOGT-UHFFFAOYSA-N 0 0 351.746 2.930 50 5 FFBARN CCOc1ccc(Nc2nc(N3CCOCC3)nc(C)c2[N+](=O)[O-])cc1 ZINC000004117477 132386390 /nfs/dbraw/zinc/38/63/90/132386390.db2.gz XBLVBJXQYFKWSG-UHFFFAOYSA-N 0 0 359.386 2.672 50 5 FFBARN O=[N+]([O-])c1ccc(N2CCN(CCOc3ccc(Cl)cc3)CC2)nc1 ZINC000012809261 132863481 /nfs/dbraw/zinc/86/34/81/132863481.db2.gz OKOAJNFQGRJYOM-UHFFFAOYSA-N 0 0 362.817 2.844 50 5 FFBARN Cc1ccc(Nc2nc(N)c([N+](=O)[O-])c(N3C[C@@H](C)O[C@@H](C)C3)n2)cc1C ZINC000018251667 132886401 /nfs/dbraw/zinc/88/64/01/132886401.db2.gz QDFXUIOFXRZTGV-BETUJISGSA-N 0 0 372.429 2.941 50 5 FFBARN CCc1ccc(NC(=O)CCN2C(=O)COc3ccccc32)cc1[N+](=O)[O-] ZINC000027312919 132916117 /nfs/dbraw/zinc/91/61/17/132916117.db2.gz GRSDVAXGAAKDOW-UHFFFAOYSA-N 0 0 369.377 2.911 50 5 FFBARN COc1ccc([N+](=O)[O-])c2c(CCN3C(=O)c4ccccc4C3=O)c[nH]c21 ZINC000000754080 506229068 /nfs/dbraw/zinc/22/90/68/506229068.db2.gz PZNLUQGSTZTUSM-UHFFFAOYSA-N 0 0 365.345 2.923 50 5 FFBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000000727748 506230081 /nfs/dbraw/zinc/23/00/81/506230081.db2.gz MYZVMAFTZLDEEG-UHFFFAOYSA-N 0 0 367.361 2.918 50 5 FFBARN Cc1cccc(N2C[C@@H](C(=O)OCc3ccc([N+](=O)[O-])cc3)CC2=O)c1 ZINC000001059188 506245731 /nfs/dbraw/zinc/24/57/31/506245731.db2.gz SJVPWZTYFQKEPO-HNNXBMFYSA-N 0 0 354.362 3.000 50 5 FFBARN COC(=O)c1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000001172491 506251382 /nfs/dbraw/zinc/25/13/82/506251382.db2.gz WBUUPKYYLPLIDI-UHFFFAOYSA-N 0 0 359.363 2.508 50 5 FFBARN COc1cc(Cl)c(S(=O)(=O)n2c(C)ncc2[N+](=O)[O-])cc1Cl ZINC000001157440 506252079 /nfs/dbraw/zinc/25/20/79/506252079.db2.gz FUAAABXLVCMDPA-UHFFFAOYSA-N 0 0 366.182 2.652 50 5 FFBARN COc1ccc(NC(=O)Nc2ccc(-n3ccnc3)nc2)c([N+](=O)[O-])c1 ZINC000032824205 506300717 /nfs/dbraw/zinc/30/07/17/506300717.db2.gz WJKUWKFXEOAHEX-UHFFFAOYSA-N 0 0 354.326 2.828 50 5 FFBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@@H]1CCCN(C(=O)N(C)C)C1 ZINC000040092176 506466173 /nfs/dbraw/zinc/46/61/73/506466173.db2.gz ZPVVOOIHZKMFJJ-UKRRQHHQSA-N 0 0 362.430 2.508 50 5 FFBARN O=C(Nc1nc2c(s1)CCC2)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000008720835 506663880 /nfs/dbraw/zinc/66/38/80/506663880.db2.gz XKXFJSPXKDBKEL-UHFFFAOYSA-N 0 0 374.422 2.629 50 5 FFBARN CN1CCN(c2ccc(C(=O)NCC3CCCCC3)cc2[N+](=O)[O-])CC1 ZINC000008720840 506664624 /nfs/dbraw/zinc/66/46/24/506664624.db2.gz CNBLJLDGYALKNG-UHFFFAOYSA-N 0 0 360.458 2.657 50 5 FFBARN COc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1N1CCCC1=O ZINC000011445832 506777246 /nfs/dbraw/zinc/77/72/46/506777246.db2.gz NSZWEKJGSGAIFU-UHFFFAOYSA-N 0 0 369.377 2.911 50 5 FFBARN COC(=O)c1cc(C(=O)NCC2(c3ccccc3)CC2)cc([N+](=O)[O-])c1 ZINC000011750060 506793544 /nfs/dbraw/zinc/79/35/44/506793544.db2.gz QGMUMAWRGYQRFY-UHFFFAOYSA-N 0 0 354.362 2.843 50 5 FFBARN O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000012136941 506822517 /nfs/dbraw/zinc/82/25/17/506822517.db2.gz LHVGULBGGJTIQO-ZDUSSCGKSA-N 0 0 369.377 2.756 50 5 FFBARN COc1ccc([C@H](NC(=O)c2ccccc2[N+](=O)[O-])c2nccn2C)cc1 ZINC000012519855 506870564 /nfs/dbraw/zinc/87/05/64/506870564.db2.gz ALOWSMCYIMKVNX-KRWDZBQOSA-N 0 0 366.377 2.856 50 5 FFBARN CN(Cc1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)N1CCCCCC1 ZINC000012752951 506896474 /nfs/dbraw/zinc/89/64/74/506896474.db2.gz PNJIDWSHMRSKJD-UHFFFAOYSA-N 0 0 361.851 2.801 50 5 FFBARN O=[N+]([O-])c1cnn(Cc2nnc(-c3ccc(Br)cc3)o2)c1 ZINC000012762942 506897107 /nfs/dbraw/zinc/89/71/07/506897107.db2.gz BUPAMJWNANWXEN-UHFFFAOYSA-N 0 0 350.132 2.652 50 5 FFBARN CON(C)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000014060764 506962422 /nfs/dbraw/zinc/96/24/22/506962422.db2.gz KCQDSCCNEUJVSW-UHFFFAOYSA-N 0 0 361.320 2.850 50 5 FFBARN COc1ccc(C(=O)N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000019553153 507178864 /nfs/dbraw/zinc/17/88/64/507178864.db2.gz GRNQXQANLSSAAZ-UHFFFAOYSA-N 0 0 355.394 2.561 50 5 FFBARN COc1cccc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000019565306 507180762 /nfs/dbraw/zinc/18/07/62/507180762.db2.gz FCEYNKZMRVVIST-UHFFFAOYSA-N 0 0 355.394 2.561 50 5 FFBARN COc1cccc(C(=O)N2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000019773529 507201285 /nfs/dbraw/zinc/20/12/85/507201285.db2.gz AGAYPYXCWACMFZ-UHFFFAOYSA-N 0 0 355.394 2.561 50 5 FFBARN COc1ccccc1C(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000019832220 507203844 /nfs/dbraw/zinc/20/38/44/507203844.db2.gz CBJJUUUARLHINE-UHFFFAOYSA-N 0 0 355.394 2.561 50 5 FFBARN O=[N+]([O-])c1ccc(N2CCN(c3ncccc3C(F)(F)F)CC2)nc1 ZINC000020224058 507215814 /nfs/dbraw/zinc/21/58/14/507215814.db2.gz XYSBNBDMPQPMLH-UHFFFAOYSA-N 0 0 353.304 2.730 50 5 FFBARN CCc1cc2c(ncnc2N[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000024060900 507389629 /nfs/dbraw/zinc/38/96/29/507389629.db2.gz AQQIGBDKEACOEU-LSDHHAIUSA-N 0 0 374.422 2.668 50 5 FFBARN CCOc1ccc(C(=O)NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1OCC ZINC000024151649 507395178 /nfs/dbraw/zinc/39/51/78/507395178.db2.gz DOXHBQWXTLHPAS-MRXNPFEDSA-N 0 0 374.393 2.856 50 5 FFBARN Cc1nc(C(F)(F)F)ccc1C(=O)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000024562307 507419169 /nfs/dbraw/zinc/41/91/69/507419169.db2.gz FASVLMYLLXMICX-CYBMUJFWSA-N 0 0 369.299 2.780 50 5 FFBARN CN(CCOc1ccc(Cl)cc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000024574349 507420945 /nfs/dbraw/zinc/42/09/45/507420945.db2.gz ACZQTEUUBXOAAB-UHFFFAOYSA-N 0 0 363.801 2.858 50 5 FFBARN COc1ccc(C(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)cc1 ZINC000026130596 507560042 /nfs/dbraw/zinc/56/00/42/507560042.db2.gz OPXCJTFLPMZASA-UHFFFAOYSA-N 0 0 358.350 2.932 50 5 FFBARN Cc1nn(CN(C)CCOc2cccc(C)c2)c2ncc([N+](=O)[O-])cc12 ZINC000072312394 507775518 /nfs/dbraw/zinc/77/55/18/507775518.db2.gz SUNHQCXBTJVWQY-UHFFFAOYSA-N 0 0 355.398 2.925 50 5 FFBARN O=c1c2cc3c(ccn(-c4ccccn4)c3=O)nc2ccn1Cc1ccco1 ZINC000030907841 507814878 /nfs/dbraw/zinc/81/48/78/507814878.db2.gz JNNNQPVWCAJSBJ-UHFFFAOYSA-N 0 0 370.368 2.737 50 5 FFBARN Cc1cc(Oc2cc(C(=O)NCc3ccco3)nn2C)ccc1[N+](=O)[O-] ZINC000096203778 508210103 /nfs/dbraw/zinc/21/01/03/508210103.db2.gz MRFWEPAQDDUIFD-UHFFFAOYSA-N 0 0 356.338 2.952 50 5 FFBARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000100103791 508237991 /nfs/dbraw/zinc/23/79/91/508237991.db2.gz OUYHHVXCWZAPMH-MRXNPFEDSA-N 0 0 360.366 2.566 50 5 FFBARN Cc1cc2c(c(=O)[nH]1)C(=O)OC2=Cc1c[nH]nc1-c1cccc([N+](=O)[O-])c1 ZINC000100218399 508239060 /nfs/dbraw/zinc/23/90/60/508239060.db2.gz BRHNCZMUTYQKOY-VGOFMYFVSA-N 0 0 364.317 2.650 50 5 FFBARN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCc1noc2ccccc21 ZINC000225390567 509371519 /nfs/dbraw/zinc/37/15/19/509371519.db2.gz NAMPEWLEWLXBDC-UHFFFAOYSA-N 0 0 367.770 2.868 50 5 FFBARN COC(=O)c1cc(C)nc(NCCCCNc2ccccn2)c1[N+](=O)[O-] ZINC000225819176 509390500 /nfs/dbraw/zinc/39/05/00/509390500.db2.gz LDNUDCVSGGNZLZ-UHFFFAOYSA-N 0 0 359.386 2.784 50 5 FFBARN C[C@@H](C(=O)N(C)Cc1ccc([N+](=O)[O-])cc1)n1c(=O)oc2ccccc21 ZINC000170596097 509674399 /nfs/dbraw/zinc/67/43/99/509674399.db2.gz LROQLGQPZNTIPY-LBPRGKRZSA-N 0 0 355.350 2.722 50 5 FFBARN Cc1ccccc1-c1nnc(SCCn2cc([N+](=O)[O-])ccc2=O)n1C ZINC000089696946 525017754 /nfs/dbraw/zinc/01/77/54/525017754.db2.gz OIJWDKJKXZZLJT-UHFFFAOYSA-N 0 0 371.422 2.653 50 5 FFBARN Cc1ccc(OCC(=O)N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000019790074 525380390 /nfs/dbraw/zinc/38/03/90/525380390.db2.gz HEHWPJJECDMNTO-UHFFFAOYSA-N 0 0 369.421 2.626 50 5 FFBARN O=C(C[C@H]1COCCN1CCOc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000084374568 527178481 /nfs/dbraw/zinc/17/84/81/527178481.db2.gz HHTGERKQWPLNIO-HNNXBMFYSA-N 0 0 360.366 2.540 50 5 FFBARN CC[C@@H](C)NC(=O)COC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000004839941 535583239 /nfs/dbraw/zinc/58/32/39/535583239.db2.gz RJVKPCMVLKDAQO-CYBMUJFWSA-N 0 0 363.414 2.657 50 5 FFBARN COc1cccc(-c2n[nH]c3c2[C@@H](c2ccc([N+](=O)[O-])cc2)NC3=O)c1 ZINC000001404807 204004911 /nfs/dbraw/zinc/00/49/11/204004911.db2.gz LUPIEKFEDTVFTP-OAHLLOKOSA-N 0 0 350.334 2.826 50 5 FFBARN O=C(c1cccc([N+](=O)[O-])c1)n1c(=O)oc2cc(Br)ccc21 ZINC000001439251 204007314 /nfs/dbraw/zinc/00/73/14/204007314.db2.gz OURMTZBVCZIHKR-UHFFFAOYSA-N 0 0 363.123 2.954 50 5 FFBARN O=C(NC[C@H]1OCCc2ccccc21)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000002316130 204034273 /nfs/dbraw/zinc/03/42/73/204034273.db2.gz AGLICLBPFOMWMR-MRXNPFEDSA-N 0 0 357.322 2.547 50 5 FFBARN CCOC(=O)[C@H](C)On1c2cc([N+](=O)[O-])ccc2nc1-c1ccccc1 ZINC000003063716 204076773 /nfs/dbraw/zinc/07/67/73/204076773.db2.gz MYAXZVGAFGATAW-LBPRGKRZSA-N 0 0 355.350 2.992 50 5 FFBARN COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])o1 ZINC000002625612 204046252 /nfs/dbraw/zinc/04/62/52/204046252.db2.gz ACZLJNONHRPGPE-UHFFFAOYSA-N 0 0 354.702 2.645 50 5 FFBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCC(=O)Nc1ccc(Cl)cn1 ZINC000002634595 204048018 /nfs/dbraw/zinc/04/80/18/204048018.db2.gz IQCXJWKXZLHXLY-FPYGCLRLSA-N 0 0 361.741 2.838 50 5 FFBARN Cc1ccc(NC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)cc1[N+](=O)[O-] ZINC000003423962 204099455 /nfs/dbraw/zinc/09/94/55/204099455.db2.gz RYHAQOYJKHBTFS-UHFFFAOYSA-N 0 0 372.772 2.849 50 5 FFBARN COc1ccc(C(=O)OCC(=O)NC2CCCCCCC2)cc1[N+](=O)[O-] ZINC000003442520 204100760 /nfs/dbraw/zinc/10/07/60/204100760.db2.gz MZXIQSBGQNWMBD-UHFFFAOYSA-N 0 0 364.398 2.989 50 5 FFBARN COc1ccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000004600365 204149248 /nfs/dbraw/zinc/14/92/48/204149248.db2.gz SCPWJFDBJKKUOK-UHFFFAOYSA-N 0 0 361.379 2.739 50 5 FFBARN O=[N+]([O-])c1cccc(Cl)c1NCCNS(=O)(=O)c1ccccc1 ZINC000004603028 204150634 /nfs/dbraw/zinc/15/06/34/204150634.db2.gz HKNHRQXCQCDBFV-UHFFFAOYSA-N 0 0 355.803 2.639 50 5 FFBARN CC(=O)N1CCc2cc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)ccc21 ZINC000004601674 204150658 /nfs/dbraw/zinc/15/06/58/204150658.db2.gz DLVMYFDVCHVYJL-UHFFFAOYSA-N 0 0 370.321 2.664 50 5 FFBARN O=C(Nc1ccc([N+](=O)[O-])c(NC(=O)c2cccnc2)c1)c1cccnc1 ZINC000004628719 204151878 /nfs/dbraw/zinc/15/18/78/204151878.db2.gz SZCPPYUOPPQPPX-UHFFFAOYSA-N 0 0 363.333 2.889 50 5 FFBARN Cc1c(Nc2c3nonc3ccc2[N+](=O)[O-])c(=O)n(-c2ccccc2)n1C ZINC000004658764 204153049 /nfs/dbraw/zinc/15/30/49/204153049.db2.gz HUGVDLJPUISXLD-UHFFFAOYSA-N 0 0 366.337 2.672 50 5 FFBARN CCCC1=Nc2ncnn2[C@@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OCC ZINC000004777015 204163216 /nfs/dbraw/zinc/16/32/16/204163216.db2.gz PYNMSDZSXQLGKT-HNNXBMFYSA-N 0 0 357.370 2.819 50 5 FFBARN COc1cc2nc(COc3ccc([N+](=O)[O-])cc3)oc(=O)c2cc1OC ZINC000004499625 204142318 /nfs/dbraw/zinc/14/23/18/204142318.db2.gz ATGSXKZTXZROOV-UHFFFAOYSA-N 0 0 358.306 2.692 50 5 FFBARN O=[N+]([O-])c1ccccc1S(=O)(=O)N(c1ccccc1)C1CSC1 ZINC000004857135 204170409 /nfs/dbraw/zinc/17/04/09/204170409.db2.gz JDRBTGHKLURGKX-UHFFFAOYSA-N 0 0 350.421 2.906 50 5 FFBARN CCOc1ccc(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000004980369 204182379 /nfs/dbraw/zinc/18/23/79/204182379.db2.gz ZWTKBORAWASERZ-UHFFFAOYSA-N 0 0 352.368 2.803 50 5 FFBARN O=C(Nc1ccc2c(c1)oc(=O)cc2C(F)(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC000006414087 204248171 /nfs/dbraw/zinc/24/81/71/204248171.db2.gz NEGZHSZAZUECBP-UHFFFAOYSA-N 0 0 368.227 2.695 50 5 FFBARN Cc1cccc2nc(COC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc(=O)n12 ZINC000007156499 204290503 /nfs/dbraw/zinc/29/05/03/204290503.db2.gz MORJMESZWXIMOM-CMDGGOBGSA-N 0 0 365.345 2.668 50 5 FFBARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000007168674 204290608 /nfs/dbraw/zinc/29/06/08/204290608.db2.gz QRDKQTJVNGWWIV-GFCCVEGCSA-N 0 0 355.350 2.738 50 5 FFBARN Cc1nn(CC(C)C)c(C)c1CC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000007256888 204293034 /nfs/dbraw/zinc/29/30/34/204293034.db2.gz UQGAHVNOZLKBEJ-UHFFFAOYSA-N 0 0 373.457 2.835 50 5 FFBARN COc1ccc(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)c(F)c1 ZINC000007413962 204296702 /nfs/dbraw/zinc/29/67/02/204296702.db2.gz LCTWZONOTPSPEU-UHFFFAOYSA-N 0 0 363.297 2.966 50 5 FFBARN CSc1nc2oc3ccc(Br)cc3c(=O)c2c(=O)n1C ZINC000006669601 204259942 /nfs/dbraw/zinc/25/99/42/204259942.db2.gz ITTLCLUGGPEVCA-UHFFFAOYSA-N 0 0 353.197 2.524 50 5 FFBARN CC1=C(C(=O)NC(C)(C)C)[C@H](c2cccc([N+](=O)[O-])c2)NC(=S)N1C ZINC000006801741 204272124 /nfs/dbraw/zinc/27/21/24/204272124.db2.gz UIJWYRRHBFPONU-AWEZNQCLSA-N 0 0 362.455 2.645 50 5 FFBARN Cc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)Nc1cc(C(C)(C)C)no1 ZINC000009544407 204373363 /nfs/dbraw/zinc/37/33/63/204373363.db2.gz OFWOUTDWUYKEGB-UHFFFAOYSA-N 0 0 361.354 2.984 50 5 FFBARN COc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2nccn2C)cc1 ZINC000008720047 204340645 /nfs/dbraw/zinc/34/06/45/204340645.db2.gz JPHBXEHAFAEELC-KRWDZBQOSA-N 0 0 366.377 2.856 50 5 FFBARN COc1cc(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc(OC)c1OC ZINC000009690083 204378952 /nfs/dbraw/zinc/37/89/52/204378952.db2.gz YMNRVXOSFACKLF-UHFFFAOYSA-N 0 0 372.377 2.752 50 5 FFBARN COC(=O)c1cc(/C=C/C(=O)Nc2cc([N+](=O)[O-])ccc2OC)oc1C ZINC000009950471 204387123 /nfs/dbraw/zinc/38/71/23/204387123.db2.gz SSCMPTSACNQIQF-FNORWQNLSA-N 0 0 360.322 2.943 50 5 FFBARN CC[C@H](CO)Nc1ccc(-c2n[nH]c(=O)c3ccccc32)cc1[N+](=O)[O-] ZINC000010257309 204393437 /nfs/dbraw/zinc/39/34/37/204393437.db2.gz ZVPCIVRVOIEYAS-GFCCVEGCSA-N 0 0 354.366 2.681 50 5 FFBARN C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(-n2cncn2)cc1 ZINC000012977935 204515578 /nfs/dbraw/zinc/51/55/78/204515578.db2.gz KIWICBBSGCGUAZ-CYBMUJFWSA-N 0 0 351.366 2.595 50 5 FFBARN O=C(COc1ccccc1[N+](=O)[O-])NC[C@H]1CCN(c2ccccc2)C1 ZINC000024817241 204826062 /nfs/dbraw/zinc/82/60/62/204826062.db2.gz SBYFUUPRYMSLBX-OAHLLOKOSA-N 0 0 355.394 2.616 50 5 FFBARN C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccc(OC(F)(F)F)cc1 ZINC000040074311 205052863 /nfs/dbraw/zinc/05/28/63/205052863.db2.gz FGZHANYYWGRCFW-VIFPVBQESA-N 0 0 358.276 2.567 50 5 FFBARN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1nnc2n1CCCCC2 ZINC000040080150 205053368 /nfs/dbraw/zinc/05/33/68/205053368.db2.gz OXIJSLOQHDVNOJ-INIZCTEOSA-N 0 0 369.425 2.819 50 5 FFBARN CCOc1ccc2c(c1)CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1N)CC2 ZINC000058288437 205269072 /nfs/dbraw/zinc/26/90/72/205269072.db2.gz QFMTZCXVCOYWAA-UHFFFAOYSA-N 0 0 359.357 2.913 50 5 FFBARN O=C(N[C@H]1C[C@@H]1c1cccc(F)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000067092484 205367215 /nfs/dbraw/zinc/36/72/15/205367215.db2.gz ZKAHCVKFLOWEGX-OCCSQVGLSA-N 0 0 358.325 2.791 50 5 FFBARN COC(=O)CCCCCCNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000097164762 205901149 /nfs/dbraw/zinc/90/11/49/205901149.db2.gz CBALPOPHIQFMEB-UHFFFAOYSA-N 0 0 353.375 2.848 50 5 FFBARN CNC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000978144 206143219 /nfs/dbraw/zinc/14/32/19/206143219.db2.gz BRAFDKUAUPBIPX-GDNBJRDFSA-N 0 0 359.769 2.765 50 5 FFBARN CCOC(=O)c1ccccc1NC(=O)COc1ccc(OC)cc1[N+](=O)[O-] ZINC000003408438 206160425 /nfs/dbraw/zinc/16/04/25/206160425.db2.gz MXLLQXSCVNRFTO-UHFFFAOYSA-N 0 0 374.349 2.798 50 5 FFBARN CC(=O)NCCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000003333628 206161271 /nfs/dbraw/zinc/16/12/71/206161271.db2.gz QJOFXVNNZAOJTR-UHFFFAOYSA-N 0 0 359.407 2.612 50 5 FFBARN O=C(OCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000005112834 206189200 /nfs/dbraw/zinc/18/92/00/206189200.db2.gz XBZQRKMODDTVEY-UHFFFAOYSA-N 0 0 360.709 2.659 50 5 FFBARN COc1cc(C(=O)OCC(=O)c2ccccc2F)c([N+](=O)[O-])cc1OC ZINC000005246306 206189956 /nfs/dbraw/zinc/18/99/56/206189956.db2.gz UUXGYODBUZXJRO-UHFFFAOYSA-N 0 0 363.297 2.791 50 5 FFBARN O=C1CCCN1c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000005329210 206193943 /nfs/dbraw/zinc/19/39/43/206193943.db2.gz NPLHSDQVHDATNM-UHFFFAOYSA-N 0 0 361.379 2.522 50 5 FFBARN CC(C)CCC[C@H](C)NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000007767098 206213130 /nfs/dbraw/zinc/21/31/30/206213130.db2.gz OYOOZUKBRXVQLA-LBPRGKRZSA-N 0 0 361.398 2.522 50 5 FFBARN COC(=O)c1ccc2c(c1)s/c(=N/C(=O)c1cccc([N+](=O)[O-])c1)n2C ZINC000012180899 206288614 /nfs/dbraw/zinc/28/86/14/206288614.db2.gz XJTNPMQNTKTQMU-ISLYRVAYSA-N 0 0 371.374 2.676 50 5 FFBARN CC[C@@H](Sc1ncnc2[nH]cnc21)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000013572003 206303724 /nfs/dbraw/zinc/30/37/24/206303724.db2.gz KLRWJKSIVSBIIS-LLVKDONJSA-N 0 0 358.383 2.771 50 5 FFBARN COc1cccc2c1O[C@]1(N3CCOCC3)CCCC[C@H]1[C@H]2C[N+](=O)[O-] ZINC000013464383 206303266 /nfs/dbraw/zinc/30/32/66/206303266.db2.gz WZXCWLCTYQZXIV-TXPKVOOTSA-N 0 0 362.426 2.667 50 5 FFBARN CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])n1 ZINC000015587204 206315416 /nfs/dbraw/zinc/31/54/16/206315416.db2.gz CDHQHDBFOWOATK-UHFFFAOYSA-N 0 0 362.411 2.670 50 5 FFBARN Cc1cc(S(=O)(=O)N2CCN=C2c2ccccc2)cc([N+](=O)[O-])c1C ZINC000019619315 206325874 /nfs/dbraw/zinc/32/58/74/206325874.db2.gz LUUQXHBJQXRMAD-UHFFFAOYSA-N 0 0 359.407 2.663 50 5 FFBARN CN(C)[C@H](c1nnnn1-c1cccc(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000025178060 206335426 /nfs/dbraw/zinc/33/54/26/206335426.db2.gz FVWXXRBKCJYWCC-HNNXBMFYSA-N 0 0 358.789 2.875 50 5 FFBARN CC[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1OC(F)F ZINC000040089083 220878366 /nfs/dbraw/zinc/87/83/66/220878366.db2.gz VNBMWHYJTJZHOU-GFCCVEGCSA-N 0 0 354.313 2.660 50 5 FFBARN COc1ccccc1N1CCN(C(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000001134459 132380466 /nfs/dbraw/zinc/38/04/66/132380466.db2.gz PESXHAHKTNZJRN-UHFFFAOYSA-N 0 0 355.394 2.874 50 5 FFBARN CN1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2Cl)CC1 ZINC000004412830 132386956 /nfs/dbraw/zinc/38/69/56/132386956.db2.gz MDXBSQDWOQSRFD-UHFFFAOYSA-N 0 0 364.789 2.845 50 5 FFBARN O=C(C1=Cc2ccccc2OC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000008728081 132843736 /nfs/dbraw/zinc/84/37/36/132843736.db2.gz SIKAKWXPYAIPHS-UHFFFAOYSA-N 0 0 365.389 2.719 50 5 FFBARN COc1ccc(Nc2nc(N)c([N+](=O)[O-])c(N3CCC[C@H](C)C3)n2)cc1 ZINC000009329408 132846090 /nfs/dbraw/zinc/84/60/90/132846090.db2.gz FKQQMFUHQWFTST-NSHDSACASA-N 0 0 358.402 2.956 50 5 FFBARN COC(=O)c1cccc2c3c([nH]c21)CCN(c1ccc([N+](=O)[O-])cn1)C3 ZINC000025577858 132914100 /nfs/dbraw/zinc/91/41/00/132914100.db2.gz BLIQGUXVXMJPON-UHFFFAOYSA-N 0 0 352.350 2.820 50 5 FFBARN Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccc(Br)cc1 ZINC000000799678 506234125 /nfs/dbraw/zinc/23/41/25/506234125.db2.gz QZTGFZAJZYXXAE-UHFFFAOYSA-N 0 0 354.160 2.719 50 5 FFBARN O=C(Nc1ccncc1)c1cc(C(=O)Nc2ccncc2)cc([N+](=O)[O-])c1 ZINC000000851636 506237027 /nfs/dbraw/zinc/23/70/27/506237027.db2.gz OJGWZHQQMRONMV-UHFFFAOYSA-N 0 0 363.333 2.889 50 5 FFBARN O=C(c1cc2cc([N+](=O)[O-])ccc2oc1=O)N1CCc2ccccc2C1 ZINC000000887205 506239130 /nfs/dbraw/zinc/23/91/30/506239130.db2.gz QDKLSEVFHPGWDR-UHFFFAOYSA-N 0 0 350.330 2.900 50 5 FFBARN COC(=O)c1ccc(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000001189766 506254293 /nfs/dbraw/zinc/25/42/93/506254293.db2.gz QSHUQGZPQRQIAG-UHFFFAOYSA-N 0 0 360.322 2.651 50 5 FFBARN COc1c(C)cccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004866011 506401368 /nfs/dbraw/zinc/40/13/68/506401368.db2.gz OHNOUFCJZOYCOF-UHFFFAOYSA-N 0 0 355.394 2.874 50 5 FFBARN CC1(C)OC(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@H]32)C(=O)O1 ZINC000005515968 506445986 /nfs/dbraw/zinc/44/59/86/506445986.db2.gz XDJPVSBZBVEMJZ-HNNXBMFYSA-N 0 0 374.393 2.722 50 5 FFBARN CC(=O)Nc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000006293847 506474172 /nfs/dbraw/zinc/47/41/72/506474172.db2.gz YXGVPJYXVRAKFK-UHFFFAOYSA-N 0 0 368.393 2.516 50 5 FFBARN CC(=O)c1ccc(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000007751592 506588092 /nfs/dbraw/zinc/58/80/92/506588092.db2.gz VSZGDILAIIVNMW-UHFFFAOYSA-N 0 0 353.378 2.760 50 5 FFBARN CCCCn1c2nc(-c3ccc(C)c([N+](=O)[O-])c3)n(CC)c2c(=O)[nH]c1=O ZINC000012531676 506871564 /nfs/dbraw/zinc/87/15/64/506871564.db2.gz CTBAJOXSOWBXQI-UHFFFAOYSA-N 0 0 371.397 2.590 50 5 FFBARN O=C(NCC1(N2CCOCC2)CCCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000012750907 506896404 /nfs/dbraw/zinc/89/64/04/506896404.db2.gz YVBDXXJDMIJFKN-UHFFFAOYSA-N 0 0 362.430 2.751 50 5 FFBARN Cc1ccc(OCCN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000014737440 506997790 /nfs/dbraw/zinc/99/77/90/506997790.db2.gz XMUQBLJMEWCXBF-UHFFFAOYSA-N 0 0 350.396 2.603 50 5 FFBARN COc1cc(N2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000019606439 507185708 /nfs/dbraw/zinc/18/57/08/507185708.db2.gz WYWIESAVKJSHDH-UHFFFAOYSA-N 0 0 372.381 2.834 50 5 FFBARN O=C(NCCc1cc(Cl)c2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000023054897 507326608 /nfs/dbraw/zinc/32/66/08/507326608.db2.gz AKTDHUORLJJWPF-UHFFFAOYSA-N 0 0 362.769 2.992 50 5 FFBARN COC(=O)C(C)(C)NC(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 ZINC000023176336 507337361 /nfs/dbraw/zinc/33/73/61/507337361.db2.gz VXSBEKSWAGRPHY-UHFFFAOYSA-N 0 0 363.414 2.657 50 5 FFBARN Cc1nn(C)c(NC[C@@H](O)COc2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000058160212 507376892 /nfs/dbraw/zinc/37/68/92/507376892.db2.gz QFJLQBVTBBGUIW-LLVKDONJSA-N 0 0 374.319 2.507 50 5 FFBARN O=C(Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000030175911 507803422 /nfs/dbraw/zinc/80/34/22/507803422.db2.gz GLFPWIOYKXYHHP-MRXNPFEDSA-N 0 0 355.350 2.965 50 5 FFBARN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1ccccc1OC(F)F ZINC000030330862 507806818 /nfs/dbraw/zinc/80/68/18/507806818.db2.gz UVQLHXUIGKSGAL-UHFFFAOYSA-N 0 0 372.349 2.983 50 5 FFBARN CCCc1ccc(OCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000030835914 507813625 /nfs/dbraw/zinc/81/36/25/507813625.db2.gz UAXPUGYAJNMCMV-UHFFFAOYSA-N 0 0 364.423 2.905 50 5 FFBARN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCn2c3ccccc3nc21 ZINC000031276992 507818786 /nfs/dbraw/zinc/81/87/86/507818786.db2.gz AKWHLPMBSQXVQH-UHFFFAOYSA-N 0 0 374.360 2.791 50 5 FFBARN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(N2CCCC2=O)cc1 ZINC000089781076 507865873 /nfs/dbraw/zinc/86/58/73/507865873.db2.gz JPUZXAFTZBCYAC-UHFFFAOYSA-N 0 0 365.349 2.850 50 5 FFBARN COCc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccc(OC)c(O)c1 ZINC000079072999 507930487 /nfs/dbraw/zinc/93/04/87/507930487.db2.gz QAEVUWNJQPFTMY-UHFFFAOYSA-N 0 0 361.354 2.777 50 5 FFBARN COC(=O)c1ccc(N[C@@H]2CCc3nc(C(C)C)nn3C2)c([N+](=O)[O-])c1 ZINC000225384530 509369279 /nfs/dbraw/zinc/36/92/79/509369279.db2.gz BSLJFLGXHIDATC-GFCCVEGCSA-N 0 0 359.386 2.523 50 5 FFBARN C[C@@H]1CN(C[C@H]2CCCN2C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000229657182 509426531 /nfs/dbraw/zinc/42/65/31/509426531.db2.gz HPGJFSQSGOEBLG-JKIFEVAISA-N 0 0 362.430 2.700 50 5 FFBARN Cc1cccn2cc(CCNC(=O)N3Cc4ccc([N+](=O)[O-])cc4C3)nc12 ZINC000170649322 509698617 /nfs/dbraw/zinc/69/86/17/509698617.db2.gz BNYUNOFPBBXYRZ-UHFFFAOYSA-N 0 0 365.393 2.819 50 5 FFBARN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1nc2ccc(Cl)nc2s1 ZINC000239722495 509840371 /nfs/dbraw/zinc/84/03/71/509840371.db2.gz CCYHIUHWJDLXQH-UHFFFAOYSA-N 0 0 366.790 2.787 50 5 FFBARN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)c1ccc(C(F)(F)F)nn1 ZINC000408516035 513083946 /nfs/dbraw/zinc/08/39/46/513083946.db2.gz FPBMXYDLEYHPCR-UHFFFAOYSA-N 0 0 369.303 2.746 50 5 FFBARN COc1ccccc1N1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000000663188 524551401 /nfs/dbraw/zinc/55/14/01/524551401.db2.gz DELWTZIFAJXCGJ-UHFFFAOYSA-N 0 0 355.394 2.874 50 5 FFBARN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NCc1cccs1 ZINC000020910667 526469945 /nfs/dbraw/zinc/46/99/45/526469945.db2.gz NSFWMSRLAMFAOD-UHFFFAOYSA-N 0 0 361.379 2.661 50 5 FFBARN CCCn1c2ccccc2nc1NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000009219544 571131598 /nfs/dbraw/zinc/13/15/98/571131598.db2.gz KMMMHQJXDWQVOB-UHFFFAOYSA-N 0 0 356.386 2.807 50 5 FFBARN COCCNC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1 ZINC000050549770 963265662 /nfs/dbraw/zinc/26/56/62/963265662.db2.gz TVTOHLYVSFPDEV-QINSGFPZSA-N 0 0 366.377 2.774 50 5 FFBARN COc1ccccc1NC(=O)COC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000034779865 989328216 /nfs/dbraw/zinc/32/82/16/989328216.db2.gz DCPYRMVSWPXQQG-KHPPLWFESA-N 0 0 356.334 2.799 50 5 FFBARN CCOC(=O)N(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000000939680 203965167 /nfs/dbraw/zinc/96/51/67/203965167.db2.gz UIOUESMTWHRHKE-UHFFFAOYSA-N 0 0 350.352 2.947 50 5 FFBARN O=[N+]([O-])c1ccccc1S(=O)(=O)NCCOc1ccc(Cl)cc1 ZINC000002461756 204039546 /nfs/dbraw/zinc/03/95/46/204039546.db2.gz ZURZFQFIJVSRJE-UHFFFAOYSA-N 0 0 356.787 2.606 50 5 FFBARN Cc1c(N(C)C(=O)c2ccc([N+](=O)[O-])cc2)c(=O)n(-c2ccccc2)n1C ZINC000001431550 204007332 /nfs/dbraw/zinc/00/73/32/204007332.db2.gz YNKCIUROENHSIM-UHFFFAOYSA-N 0 0 366.377 2.669 50 5 FFBARN Cc1sc(NC(=O)COc2ccc(C)cc2[N+](=O)[O-])c(C(N)=O)c1C ZINC000002745058 204055055 /nfs/dbraw/zinc/05/50/55/204055055.db2.gz MSOZNPOZXXRIFB-UHFFFAOYSA-N 0 0 363.395 2.698 50 5 FFBARN O=C1C(=O)N(Cc2ccccc2Cl)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000004013550 204117979 /nfs/dbraw/zinc/11/79/79/204117979.db2.gz AAMVBOZNQSWKJR-UHFFFAOYSA-N 0 0 373.752 2.739 50 5 FFBARN CC(C)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O ZINC000004039510 204118383 /nfs/dbraw/zinc/11/83/83/204118383.db2.gz IZSYVWIYRQVJAT-MRXNPFEDSA-N 0 0 367.361 2.854 50 5 FFBARN O=C1OC=C2Nc3cc4c(cc3[C@H](c3ccc([N+](=O)[O-])cc3)C12)OCO4 ZINC000004053900 204119397 /nfs/dbraw/zinc/11/93/97/204119397.db2.gz UFLARJIDXUFMBO-INIZCTEOSA-N 0 0 352.302 2.692 50 5 FFBARN Cc1ccn2c(c1)nc(=O)c1cc(S(=O)(=O)N3CCC(C)CC3)ccc12 ZINC000004708646 204157607 /nfs/dbraw/zinc/15/76/07/204157607.db2.gz MOJQDLRCDHAOIR-UHFFFAOYSA-N 0 0 371.462 2.577 50 5 FFBARN Cn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nc2ccccc2c1=O ZINC000004845409 204169702 /nfs/dbraw/zinc/16/97/02/204169702.db2.gz WMTMMSCBMCVVGH-UHFFFAOYSA-N 0 0 370.390 2.573 50 5 FFBARN CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c1C ZINC000004548367 204146076 /nfs/dbraw/zinc/14/60/76/204146076.db2.gz AZHNNCREVDTUSI-LBPRGKRZSA-N 0 0 373.365 2.926 50 5 FFBARN O=C(Nc1ccccc1)c1cccn(OCc2cccc([N+](=O)[O-])c2)c1=O ZINC000005054672 204188532 /nfs/dbraw/zinc/18/85/32/204188532.db2.gz KLMURSYAVNPWJD-UHFFFAOYSA-N 0 0 365.345 2.638 50 5 FFBARN Nc1nc(NC[C@@H]2CCCO2)nc(Nc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000005067822 204189351 /nfs/dbraw/zinc/18/93/51/204189351.db2.gz RCPDCWQZDGUROD-NSHDSACASA-N 0 0 364.793 2.955 50 5 FFBARN O=C(Nc1nc2ccc(OC(F)F)cc2s1)c1n[nH]cc1[N+](=O)[O-] ZINC000006448511 204248173 /nfs/dbraw/zinc/24/81/73/204248173.db2.gz WDYZDUJCJAFZPQ-UHFFFAOYSA-N 0 0 355.282 2.781 50 5 FFBARN COc1cc(NC(=O)CN(C)CCOc2ccccc2)c(C)cc1[N+](=O)[O-] ZINC000006636864 204257487 /nfs/dbraw/zinc/25/74/87/204257487.db2.gz SVUBXWDDLOONMZ-UHFFFAOYSA-N 0 0 373.409 2.861 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1OCC(=O)NCCCN(C)c1ccccc1 ZINC000007099198 204289317 /nfs/dbraw/zinc/28/93/17/204289317.db2.gz XKLPKVDUGXUHPQ-UHFFFAOYSA-N 0 0 373.409 2.625 50 5 FFBARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COc1cc(F)ccc1[N+](=O)[O-] ZINC000007159121 204290298 /nfs/dbraw/zinc/29/02/98/204290298.db2.gz AVZTVIBIXANXHR-LLVKDONJSA-N 0 0 373.340 2.877 50 5 FFBARN CNS(=O)(=O)c1ccc(N2CCC[C@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000007981800 204312874 /nfs/dbraw/zinc/31/28/74/204312874.db2.gz CSNDDISZFILDPE-ZDUSSCGKSA-N 0 0 367.452 2.906 50 5 FFBARN Cc1cc(OCC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)ccc1[N+](=O)[O-] ZINC000008252235 204324018 /nfs/dbraw/zinc/32/40/18/204324018.db2.gz KSOOWNPEGBCHFQ-UHFFFAOYSA-N 0 0 357.366 2.729 50 5 FFBARN O=C(NCCc1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000008389562 204330281 /nfs/dbraw/zinc/33/02/81/204330281.db2.gz YZQYMLKLIAZACS-UHFFFAOYSA-N 0 0 356.165 2.562 50 5 FFBARN O=C(NCCCNC(=O)c1ccccc1[N+](=O)[O-])c1cc2ccccc2[nH]1 ZINC000008404244 204330383 /nfs/dbraw/zinc/33/03/83/204330383.db2.gz GAJFOTHDPNWAMU-UHFFFAOYSA-N 0 0 366.377 2.626 50 5 FFBARN COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)OC(=O)c1cccs1 ZINC000007533830 204300776 /nfs/dbraw/zinc/30/07/76/204300776.db2.gz IBTCJZRIFZGDLN-SECBINFHSA-N 0 0 350.352 2.849 50 5 FFBARN Cn1ccnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000009115210 204354354 /nfs/dbraw/zinc/35/43/54/204354354.db2.gz XCUVNCZXFBHQPE-INIZCTEOSA-N 0 0 354.341 2.987 50 5 FFBARN CNS(=O)(=O)c1ccc(Nc2ccc(OC(F)F)cc2)c([N+](=O)[O-])c1 ZINC000009471160 204369429 /nfs/dbraw/zinc/36/94/29/204369429.db2.gz SCGYGKDWDXBTRO-UHFFFAOYSA-N 0 0 373.337 2.848 50 5 FFBARN CN(C[C@H]1COc2ccccc2O1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000013021794 204521389 /nfs/dbraw/zinc/52/13/89/204521389.db2.gz VVJXVUIPVVCCIS-AWEZNQCLSA-N 0 0 374.418 2.985 50 5 FFBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCNC(=O)c1cccs1 ZINC000015179646 204606276 /nfs/dbraw/zinc/60/62/76/204606276.db2.gz RYNPLCHKEAQIKG-GFCCVEGCSA-N 0 0 361.423 2.996 50 5 FFBARN O=C([C@H]1CC(=O)Nc2cc(F)ccc21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000029888910 204905720 /nfs/dbraw/zinc/90/57/20/204905720.db2.gz RSHWILZVBOOXSN-AWEZNQCLSA-N 0 0 355.325 2.749 50 5 FFBARN CNc1ccc(C(=O)N[C@@H](CC(=O)OC)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000032821115 204940082 /nfs/dbraw/zinc/94/00/82/204940082.db2.gz ORLJBBGGWVETFB-INIZCTEOSA-N 0 0 371.393 2.979 50 5 FFBARN O=[N+]([O-])c1ccc(NCC2(c3ccc4c(c3)OCO4)CCOCC2)nc1 ZINC000058162555 205252700 /nfs/dbraw/zinc/25/27/00/205252700.db2.gz DHSAUGKRLPFQJF-UHFFFAOYSA-N 0 0 357.366 2.879 50 5 FFBARN CC(C)C(=O)N1CCC(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000079056817 205637052 /nfs/dbraw/zinc/63/70/52/205637052.db2.gz RDEACWJKPTZOHJ-UHFFFAOYSA-N 0 0 370.409 2.976 50 5 FFBARN CN(Cc1cnn(-c2ccccc2)c1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000048325696 206082915 /nfs/dbraw/zinc/08/29/15/206082915.db2.gz TVHOXBCLEQRMDC-UHFFFAOYSA-N 0 0 365.393 2.851 50 5 FFBARN Cc1ccc(N2C[C@H](NC(=O)Cc3ccc([N+](=O)[O-])cc3)CC2=O)cc1C ZINC000004497045 206178628 /nfs/dbraw/zinc/17/86/28/206178628.db2.gz QFXQJHXHLHQGRE-MRXNPFEDSA-N 0 0 367.405 2.676 50 5 FFBARN CS(=O)(=O)c1ccccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000012793720 206297147 /nfs/dbraw/zinc/29/71/47/206297147.db2.gz GSRAENRVRJKOQC-UHFFFAOYSA-N 0 0 354.771 2.904 50 5 FFBARN CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1 ZINC000016045971 206317697 /nfs/dbraw/zinc/31/76/97/206317697.db2.gz JJRHSIQSFHFFPX-UHFFFAOYSA-N 0 0 362.411 2.670 50 5 FFBARN CCN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000022278776 206369902 /nfs/dbraw/zinc/36/99/02/206369902.db2.gz OQJPVKRWKWNNRT-UHFFFAOYSA-N 0 0 364.379 2.534 50 5 FFBARN CC(=O)c1ccc(Sc2nnc(N3CCOCC3)s2)c([N+](=O)[O-])c1 ZINC000058163104 206391412 /nfs/dbraw/zinc/39/14/12/206391412.db2.gz YJIMTAUSHMSTCZ-UHFFFAOYSA-N 0 0 366.424 2.637 50 5 FFBARN CNC(=O)c1ccc(N[C@@H](C)COc2ccccc2OC)c([N+](=O)[O-])c1 ZINC000058172318 206396407 /nfs/dbraw/zinc/39/64/07/206396407.db2.gz JDQWFXALXZUOJI-LBPRGKRZSA-N 0 0 359.382 2.842 50 5 FFBARN CC(=O)c1ccc(N2CCN(c3cc(Cl)ncn3)CC2)c([N+](=O)[O-])c1 ZINC000095997023 132216780 /nfs/dbraw/zinc/21/67/80/132216780.db2.gz MXUGCKIXGCKCSX-UHFFFAOYSA-N 0 0 361.789 2.567 50 5 FFBARN C[C@H]1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000008132127 132259465 /nfs/dbraw/zinc/25/94/65/132259465.db2.gz FOAHQAYQBIMCRI-IUCAKERBSA-N 0 0 368.333 2.502 50 5 FFBARN O=C(CNc1ccc(F)c([N+](=O)[O-])c1)Nc1ccc(N2CCOCC2)cc1 ZINC000007972822 132842068 /nfs/dbraw/zinc/84/20/68/132842068.db2.gz GSICPYQETVXLMG-UHFFFAOYSA-N 0 0 374.372 2.621 50 5 FFBARN C[C@H]1C(=O)N(c2ccc(F)cc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000037275670 132940712 /nfs/dbraw/zinc/94/07/12/132940712.db2.gz UCAJHMREZQSYSF-LBPRGKRZSA-N 0 0 357.341 2.611 50 5 FFBARN COc1ccc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(OC)c1 ZINC000055543099 136126794 /nfs/dbraw/zinc/12/67/94/136126794.db2.gz JZBSULNWXIPUAV-UHFFFAOYSA-N 0 0 357.410 2.934 50 5 FFBARN CCN1CCN(c2nc(C)c([N+](=O)[O-])c(Nc3ccc(C)cc3)n2)CC1 ZINC000056905962 136127963 /nfs/dbraw/zinc/12/79/63/136127963.db2.gz QRFGSOFQGMREEZ-UHFFFAOYSA-N 0 0 356.430 2.887 50 5 FFBARN CC(=O)c1ccc(N2CCN(CCOc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000069447872 136138059 /nfs/dbraw/zinc/13/80/59/136138059.db2.gz XYBGJWLASJBIEV-UHFFFAOYSA-N 0 0 369.421 2.998 50 5 FFBARN CCCC1=C[C@@](O)(C(F)(F)F)N(C(=O)Cc2ccc([N+](=O)[O-])cc2)N1 ZINC000000845887 506235052 /nfs/dbraw/zinc/23/50/52/506235052.db2.gz HWKFJSRQQSFMRN-CQSZACIVSA-N 0 0 359.304 2.777 50 5 FFBARN COc1ccccc1[C@@H]1c2c(c3ccccc3oc2=O)OC(N)=C1[N+](=O)[O-] ZINC000000989292 506241935 /nfs/dbraw/zinc/24/19/35/506241935.db2.gz WSGCDVOWKYOSPM-CQSZACIVSA-N 0 0 366.329 2.730 50 5 FFBARN C[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)O[C@@H](c2cccc([N+](=O)[O-])c2)O1 ZINC000001025701 506243697 /nfs/dbraw/zinc/24/36/97/506243697.db2.gz YVYVINMYBSLRMG-VOJFVSQTSA-N 0 0 372.333 2.815 50 5 FFBARN COc1cc(C=C2NC(=S)NC2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000001029135 506243943 /nfs/dbraw/zinc/24/39/43/506243943.db2.gz KJNJOHKKTPLNHY-IZZDOVSWSA-N 0 0 372.362 2.547 50 5 FFBARN CC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000001173522 506252206 /nfs/dbraw/zinc/25/22/06/506252206.db2.gz QNYYHBDKOOZBOO-UHFFFAOYSA-N 0 0 372.406 2.988 50 5 FFBARN O=C(NC[C@H](c1ccccc1)N1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000032779500 506295792 /nfs/dbraw/zinc/29/57/92/506295792.db2.gz VDZZRAIYNHEZEC-GOSISDBHSA-N 0 0 370.409 2.790 50 5 FFBARN O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H](CN1CCOCC1)c1ccccc1 ZINC000032806089 506297234 /nfs/dbraw/zinc/29/72/34/506297234.db2.gz VRUNKLDHQHJFSZ-SFHVURJKSA-N 0 0 370.409 2.790 50 5 FFBARN Cc1noc(C)c1[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000033086862 506334037 /nfs/dbraw/zinc/33/40/37/506334037.db2.gz PJHICNZVRHATSJ-AWEZNQCLSA-N 0 0 351.384 2.725 50 5 FFBARN O=c1c([N+](=O)[O-])c(N2CCOCC2)c2ccccc2n1Cc1ccccc1 ZINC000004264108 506368289 /nfs/dbraw/zinc/36/82/89/506368289.db2.gz DHANKIRGNBQRIS-UHFFFAOYSA-N 0 0 365.389 2.795 50 5 FFBARN COc1cccc(NC(=O)c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)c1 ZINC000004977928 506411038 /nfs/dbraw/zinc/41/10/38/506411038.db2.gz LYHDHDQOYKWABN-UHFFFAOYSA-N 0 0 370.409 2.608 50 5 FFBARN CN(Cc1ccccc1N1CCOCC1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000009119111 506684063 /nfs/dbraw/zinc/68/40/63/506684063.db2.gz HUBZSKWBHDQCDD-UHFFFAOYSA-N 0 0 355.394 2.704 50 5 FFBARN COCCNc1ccc(C(=O)N2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000012216259 506836198 /nfs/dbraw/zinc/83/61/98/506836198.db2.gz MLDFNSZEZBLINM-UHFFFAOYSA-N 0 0 361.423 2.913 50 5 FFBARN O=C(CCNc1ccc([N+](=O)[O-])cn1)NCCc1c[nH]c2ccc(F)cc12 ZINC000013725369 506953263 /nfs/dbraw/zinc/95/32/63/506953263.db2.gz UUJOGCHFBBOGAH-UHFFFAOYSA-N 0 0 371.372 2.771 50 5 FFBARN O=[N+]([O-])c1cc(F)ccc1N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000045615313 506991583 /nfs/dbraw/zinc/99/15/83/506991583.db2.gz NZTRLHSVZXRBMO-UHFFFAOYSA-N 0 0 355.373 2.704 50 5 FFBARN O=C(NCCSc1ccccc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000015833470 507063492 /nfs/dbraw/zinc/06/34/92/507063492.db2.gz UVUDKMGTMUHARJ-UHFFFAOYSA-N 0 0 369.406 2.698 50 5 FFBARN Cc1cc(OCC2N=NC(=S)N2C[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000017072692 507112827 /nfs/dbraw/zinc/11/28/27/507112827.db2.gz GNJDQPIBRWZMTF-LBPRGKRZSA-N 0 0 350.400 2.541 50 5 FFBARN Cn1ccnc1[C@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000017590102 507126266 /nfs/dbraw/zinc/12/62/66/507126266.db2.gz OCEBNRBHZPEHHH-MRXNPFEDSA-N 0 0 351.366 2.629 50 5 FFBARN CN1CCc2nc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)sc2C1 ZINC000018103972 507136918 /nfs/dbraw/zinc/13/69/18/507136918.db2.gz KRPXBCNFKOWGQT-UHFFFAOYSA-N 0 0 373.438 2.866 50 5 FFBARN Cc1cccc(Nc2nc(N)c([N+](=O)[O-])c(N3C[C@@H](C)O[C@@H](C)C3)n2)c1 ZINC000018114834 507138709 /nfs/dbraw/zinc/13/87/09/507138709.db2.gz RXYPIRVTRFPUBB-TXEJJXNPSA-N 0 0 358.402 2.633 50 5 FFBARN Cn1ccnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000018236574 507146979 /nfs/dbraw/zinc/14/69/79/507146979.db2.gz BUOVZHWYFYGZGW-INIZCTEOSA-N 0 0 354.341 2.987 50 5 FFBARN COC(=O)c1cccc(COC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)c1 ZINC000021326626 507250270 /nfs/dbraw/zinc/25/02/70/507250270.db2.gz OXMTYWDODOKOJD-UHFFFAOYSA-N 0 0 373.317 2.525 50 5 FFBARN O=c1c2cnc3nc4ccccc4n3c2ccn1-c1ccc2c(c1)OCO2 ZINC000022607822 507299689 /nfs/dbraw/zinc/29/96/89/507299689.db2.gz IKGUCTAJIFGBJR-UHFFFAOYSA-N 0 0 356.341 2.915 50 5 FFBARN COc1cc(/C=C2\SC(=N)NC2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000023128334 507331953 /nfs/dbraw/zinc/33/19/53/507331953.db2.gz WCZDGRYMKSPZLK-QPEQYQDCSA-N 0 0 372.362 2.929 50 5 FFBARN CS(=O)(=O)c1ccc(C(=O)Nc2cnc3ccccc3c2)cc1[N+](=O)[O-] ZINC000025156148 507470530 /nfs/dbraw/zinc/47/05/30/507470530.db2.gz IUMLYPGVRWSMCZ-UHFFFAOYSA-N 0 0 371.374 2.799 50 5 FFBARN O=[N+]([O-])c1ccc2[nH]c(COCc3nc4cc([N+](=O)[O-])ccc4[nH]3)nc2c1 ZINC000071773618 507714783 /nfs/dbraw/zinc/71/47/83/507714783.db2.gz ZQPXNYLXYNRFNP-UHFFFAOYSA-N 0 0 368.309 2.972 50 5 in-vitro FFBARN Cc1cc(=O)c(C(=O)OCc2ccc([N+](=O)[O-])cc2)nn1-c1ccccc1 ZINC000030745076 507812721 /nfs/dbraw/zinc/81/27/21/507812721.db2.gz HUCRFIJTTDUJHU-UHFFFAOYSA-N 0 0 365.345 2.806 50 5 FFBARN COc1cccc(N2CC[C@@H](C[NH2+]Cc3cc([O-])ccc3[N+](=O)[O-])C2)c1 ZINC000079046048 507927777 /nfs/dbraw/zinc/92/77/77/507927777.db2.gz DEECICJYKMMRAY-AWEZNQCLSA-N 0 0 357.410 2.925 50 5 FFBARN O=[N+]([O-])c1ccc(OCc2cc(-c3ccccc3)on2)c(-n2cnnn2)c1 ZINC000095438564 508185084 /nfs/dbraw/zinc/18/50/84/508185084.db2.gz KLPMXGFUBSQJSZ-UHFFFAOYSA-N 0 0 364.321 2.805 50 5 FFBARN CC(=O)c1ccc(NCc2nc3ccccc3c(=O)n2C)c([N+](=O)[O-])c1 ZINC000095467620 508187580 /nfs/dbraw/zinc/18/75/80/508187580.db2.gz RFOCRYHXGQSPAL-UHFFFAOYSA-N 0 0 352.350 2.656 50 5 FFBARN O=C1[C@H]2ON=C(c3ccc([N+](=O)[O-])cc3)C2=C(O)N1c1ccccc1Cl ZINC000100852821 508240488 /nfs/dbraw/zinc/24/04/88/508240488.db2.gz HQLLCKYHWPVNOU-HIFRSBDPSA-N 0 0 371.736 2.541 50 5 FFBARN O=[N+]([O-])c1cccc(NC(=S)NCCn2cc(Br)cn2)c1 ZINC000001121620 219373745 /nfs/dbraw/zinc/37/37/45/219373745.db2.gz SBUYLHFTIRCDMJ-UHFFFAOYSA-N 0 0 370.232 2.540 50 5 FFBARN Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)N(C)C1CCCCC1 ZINC000000826479 203954837 /nfs/dbraw/zinc/95/48/37/203954837.db2.gz LNLGGHUMQUQBCU-UHFFFAOYSA-N 0 0 359.224 2.653 50 5 FFBARN O=C(COC(=O)c1cc2ccccc2oc1=O)c1ccc([N+](=O)[O-])cc1 ZINC000000853076 203957577 /nfs/dbraw/zinc/95/75/77/203957577.db2.gz DGZDSGFNPOHLDI-UHFFFAOYSA-N 0 0 353.286 2.741 50 5 FFBARN Cc1ccccc1-c1nc2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2n1 ZINC000001316347 203997738 /nfs/dbraw/zinc/99/77/38/203997738.db2.gz WZNVJKHGWHJFEE-GDNBJRDFSA-N 0 0 364.386 2.582 50 5 FFBARN Cn1c2ccccc2c2c(c1=O)[C@@H](c1cccc([N+](=O)[O-])c1)CC(=O)O2 ZINC000001427618 204007640 /nfs/dbraw/zinc/00/76/40/204007640.db2.gz HMHMPPHSHXVNIE-CQSZACIVSA-N 0 0 350.330 2.888 50 5 FFBARN COc1cc(C(C)=O)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000001800537 204020051 /nfs/dbraw/zinc/02/00/51/204020051.db2.gz DHRMSFQJPBCMRA-UHFFFAOYSA-N 0 0 360.278 2.933 50 5 FFBARN COc1cccc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)c1OC ZINC000002312846 204032898 /nfs/dbraw/zinc/03/28/98/204032898.db2.gz JAFWNCONVGZGHQ-UVTDQMKNSA-N 0 0 354.318 2.957 50 5 FFBARN COc1ccc(Cn2c(C)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 ZINC000002362222 204035566 /nfs/dbraw/zinc/03/55/66/204035566.db2.gz RFCAHNGSLNKVGR-UHFFFAOYSA-N 0 0 361.401 2.614 50 5 FFBARN O=C(CCC1CCCC1)Nc1cc(SC[C@H](O)CO)cc([N+](=O)[O-])c1 ZINC000002765315 204056052 /nfs/dbraw/zinc/05/60/52/204056052.db2.gz UCFFGQHQRAPVFS-OAHLLOKOSA-N 0 0 368.455 2.949 50 5 FFBARN CC(C)OC[C@@H]1C[C@@H](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C(=O)O1 ZINC000004132669 204123668 /nfs/dbraw/zinc/12/36/68/204123668.db2.gz YBAGMGBNHBRAAY-DOMZBBRYSA-N 0 0 350.371 2.670 50 5 FFBARN CSc1ncccc1C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003450901 204101492 /nfs/dbraw/zinc/10/14/92/204101492.db2.gz LPLRJKPUFFNDFX-SNVBAGLBSA-N 0 0 361.379 2.896 50 5 FFBARN CC(=O)Nc1cccc(C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000003519213 204104280 /nfs/dbraw/zinc/10/42/80/204104280.db2.gz MVORXEHTAWONCD-LLVKDONJSA-N 0 0 371.349 2.737 50 5 FFBARN COC(=O)C[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000004653662 204151514 /nfs/dbraw/zinc/15/15/14/204151514.db2.gz QCFINVNXBNIQLN-MRXNPFEDSA-N 0 0 363.414 2.505 50 5 FFBARN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc([N+](=O)[O-])ccc2Cl)C1=O ZINC000004695146 204155561 /nfs/dbraw/zinc/15/55/61/204155561.db2.gz WDMVEPJOKGCNPA-PKTIUJEHSA-N 0 0 370.770 2.846 50 5 FFBARN CN1C2=C(C(=O)N(c3ccccc3)C2)[C@H](c2cccc([N+](=O)[O-])c2)NC1=O ZINC000004727976 204159347 /nfs/dbraw/zinc/15/93/47/204159347.db2.gz CPFFQGYMPDMGJD-KRWDZBQOSA-N 0 0 364.361 2.592 50 5 FFBARN O=C(/C=C/c1ccc2c(c1)OCO2)OCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000004836437 204167458 /nfs/dbraw/zinc/16/74/58/204167458.db2.gz VYSSLRYUVJGNJG-SOFGYWHQSA-N 0 0 370.317 2.519 50 5 FFBARN Cc1ccc(S(=O)(=O)NCCNc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000004512950 204142831 /nfs/dbraw/zinc/14/28/31/204142831.db2.gz KAHLTLPTEGBRDZ-UHFFFAOYSA-N 0 0 369.830 2.947 50 5 FFBARN CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000004868528 204171936 /nfs/dbraw/zinc/17/19/36/204171936.db2.gz DCDJTLSHNPCSEX-LLVKDONJSA-N 0 0 371.349 2.564 50 5 FFBARN O=[N+]([O-])c1nn(-c2cccc(Cl)c2)[n+]([O-])c1NCCc1ccccc1 ZINC000004923641 204176654 /nfs/dbraw/zinc/17/66/54/204176654.db2.gz BSOIETFQLQQPJI-UHFFFAOYSA-N 0 0 359.773 2.722 50 5 FFBARN COc1ccc(CCNC(=O)c2noc(C(C)C)c2[N+](=O)[O-])cc1OC ZINC000004937635 204178436 /nfs/dbraw/zinc/17/84/36/204178436.db2.gz SGJSBIGVTQNROC-UHFFFAOYSA-N 0 0 363.370 2.696 50 5 FFBARN CC(C)(C)NC(=O)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O ZINC000005029817 204186470 /nfs/dbraw/zinc/18/64/70/204186470.db2.gz ZXTTVJPEQCPPRM-UHFFFAOYSA-N 0 0 367.361 2.924 50 5 FFBARN Cc1ccc(N2C(=O)C[C@@]3(CC(c4ccc([N+](=O)[O-])cc4)=NO3)C2=O)cc1 ZINC000005055027 204187941 /nfs/dbraw/zinc/18/79/41/204187941.db2.gz MYWHFLYOLAXXJZ-IBGZPJMESA-N 0 0 365.345 2.730 50 5 FFBARN O=C(CCC(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)NC1CCCCC1 ZINC000005066490 204189701 /nfs/dbraw/zinc/18/97/01/204189701.db2.gz PTHPHXTVFDPNIN-UHFFFAOYSA-N 0 0 362.382 2.550 50 5 FFBARN COc1ccc(Nc2cc(C)nc(-n3cc([N+](=O)[O-])cn3)n2)cc1OC ZINC000005251727 204199731 /nfs/dbraw/zinc/19/97/31/204199731.db2.gz ZYWYISXHNBWGKR-UHFFFAOYSA-N 0 0 356.342 2.640 50 5 FFBARN O=C(NC(=S)Nc1cccc2nsnc21)c1ccc([N+](=O)[O-])cc1 ZINC000005716570 204221631 /nfs/dbraw/zinc/22/16/31/204221631.db2.gz WJUZMJJPJJOMJI-UHFFFAOYSA-N 0 0 359.392 2.726 50 5 FFBARN O=C(OCN1C(=O)c2ccccc2C1=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000006863019 204277310 /nfs/dbraw/zinc/27/73/10/204277310.db2.gz HHFHRKHMVGDHGD-UHFFFAOYSA-N 0 0 360.709 2.659 50 5 FFBARN CCN(CC)C(=O)[C@H](OC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000007920697 204309713 /nfs/dbraw/zinc/30/97/13/204309713.db2.gz HSJOTVQVCWWXMD-QGZVFWFLSA-N 0 0 371.393 2.944 50 5 FFBARN COc1cc([N+](=O)[O-])ccc1NC(=O)C1CCN(C(=O)c2ccco2)CC1 ZINC000008246562 204323773 /nfs/dbraw/zinc/32/37/73/204323773.db2.gz MXWRKMCGOTVVIA-UHFFFAOYSA-N 0 0 373.365 2.687 50 5 FFBARN O=C(Nn1cn[nH]c1=S)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000009221254 204358197 /nfs/dbraw/zinc/35/81/97/204358197.db2.gz GINDEHAVIABJMX-UHFFFAOYSA-N 0 0 356.367 2.976 50 5 FFBARN COc1ccc([C@]2(C)NC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000009479602 204369511 /nfs/dbraw/zinc/36/95/11/204369511.db2.gz BVZWNXWYYSKDDQ-SFHVURJKSA-N 0 0 355.350 2.571 50 5 FFBARN O=C1C[C@@H](c2ccc([N+](=O)[O-])cc2)c2c(=O)[nH]c(-c3ccccc3)nc2N1 ZINC000008738975 204342403 /nfs/dbraw/zinc/34/24/03/204342403.db2.gz HGFXAXKLPATAKY-AWEZNQCLSA-N 0 0 362.345 2.819 50 5 FFBARN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1nnc2n1CCCCC2 ZINC000040080148 205053371 /nfs/dbraw/zinc/05/33/71/205053371.db2.gz OXIJSLOQHDVNOJ-MRXNPFEDSA-N 0 0 369.425 2.819 50 5 FFBARN CCc1ccc([C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)c2cccs2)cc1 ZINC000048224517 205152527 /nfs/dbraw/zinc/15/25/27/205152527.db2.gz MIQYIZQSFPUZTG-INIZCTEOSA-N 0 0 371.422 2.716 50 5 FFBARN NC(=O)c1ccc(CN(Cc2ccccc2)C[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000052866090 205188179 /nfs/dbraw/zinc/18/81/79/205188179.db2.gz KBXGXWOCWASPKU-SFHVURJKSA-N 0 0 369.421 2.875 50 5 FFBARN COC(=O)c1cc([N+](=O)[O-])cc(C(=O)OC)c1NCc1ccc(F)cc1 ZINC000096124725 205826393 /nfs/dbraw/zinc/82/63/93/205826393.db2.gz JBZHFPAAMRRAGN-UHFFFAOYSA-N 0 0 362.313 2.919 50 5 FFBARN C[C@H]1C(=O)N(CCOc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(F)cc1 ZINC000047349483 206079411 /nfs/dbraw/zinc/07/94/11/206079411.db2.gz GFSCMROHRBAVHR-LBPRGKRZSA-N 0 0 373.340 2.970 50 5 FFBARN O=c1onc(-c2cccs2)n1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000048325697 206082433 /nfs/dbraw/zinc/08/24/33/206082433.db2.gz PASFJSSQMMVEKD-UHFFFAOYSA-N 0 0 371.334 2.571 50 5 FFBARN COC(=O)c1ccc(/C=C2/N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc1 ZINC000000822634 206133726 /nfs/dbraw/zinc/13/37/26/206133726.db2.gz XRWOCUCLEOUEGJ-OQLLNIDSSA-N 0 0 352.302 2.726 50 5 FFBARN O=C(COC(=O)c1ccc([N+](=O)[O-])o1)Nc1ccc(Br)cc1 ZINC000003232580 206158473 /nfs/dbraw/zinc/15/84/73/206158473.db2.gz FFSWBIYPYHJPLJ-UHFFFAOYSA-N 0 0 369.127 2.746 50 5 FFBARN COc1ccc(-c2nnc(NC(=O)c3ccc([N+](=O)[O-])cc3)o2)cc1OC ZINC000005372336 206195041 /nfs/dbraw/zinc/19/50/41/206195041.db2.gz WPGGZKMBELNMGY-UHFFFAOYSA-N 0 0 370.321 2.914 50 5 FFBARN CCOC(=O)c1ccc(Nc2cc(C)nc(-n3cc([N+](=O)[O-])cn3)n2)cc1 ZINC000005251700 206189543 /nfs/dbraw/zinc/18/95/43/206189543.db2.gz VYQLQTFUKSMNLZ-UHFFFAOYSA-N 0 0 368.353 2.799 50 5 FFBARN COC(=O)c1ccc(OCC(=O)Nc2cc(C)ccc2OC)c([N+](=O)[O-])c1 ZINC000007127723 206205495 /nfs/dbraw/zinc/20/54/95/206205495.db2.gz LGFLGUIPFUFSCC-UHFFFAOYSA-N 0 0 374.349 2.716 50 5 FFBARN CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2)NC(=O)N1 ZINC000005523515 206196417 /nfs/dbraw/zinc/19/64/17/206196417.db2.gz KUCCOBNDXNQYHW-MRXNPFEDSA-N 0 0 352.350 2.861 50 5 FFBARN Cc1ccc([N+](=O)[O-])c(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)c1C ZINC000006605196 206202201 /nfs/dbraw/zinc/20/22/01/206202201.db2.gz JSFIOHWDLBFCDP-UHFFFAOYSA-N 0 0 371.180 2.714 50 5 FFBARN Cn1cnc([N+](=O)[O-])c1Sc1ncnc2c1ncn2Cc1ccccc1 ZINC000000716536 206223322 /nfs/dbraw/zinc/22/33/22/206223322.db2.gz XGWNOSOHTMKDCK-UHFFFAOYSA-N 0 0 367.394 2.668 50 5 FFBARN Cc1c(C(=O)NC[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000008982040 206220233 /nfs/dbraw/zinc/22/02/33/206220233.db2.gz RAUZEVDLSNADAZ-CYBMUJFWSA-N 0 0 371.368 2.825 50 5 FFBARN C[C@@H](Nc1ccc([N+](=O)[O-])c2cnccc12)c1cccc(S(N)(=O)=O)c1 ZINC000058171906 206395112 /nfs/dbraw/zinc/39/51/12/206395112.db2.gz ZDSSBIDBUGCZCK-LLVKDONJSA-N 0 0 372.406 2.964 50 5 FFBARN CCOc1ccc(NC(=O)COC(=O)CCc2ccco2)c([N+](=O)[O-])c1 ZINC000024715110 206412241 /nfs/dbraw/zinc/41/22/41/206412241.db2.gz KKGWHADZMSEKMS-UHFFFAOYSA-N 0 0 362.338 2.701 50 5 FFBARN COc1ccc(C(=O)Nc2cccc(N3CCOC3=O)c2)cc1[N+](=O)[O-] ZINC000031928015 206510698 /nfs/dbraw/zinc/51/06/98/206510698.db2.gz KAWZSIQMFUBLAM-UHFFFAOYSA-N 0 0 357.322 2.812 50 5 FFBARN Cc1ccccc1NC(=O)[C@@H](c1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000020169471 220318439 /nfs/dbraw/zinc/31/84/39/220318439.db2.gz JKHBSPQQKUMPNS-GOSISDBHSA-N 0 0 355.394 2.915 50 5 FFBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccccc1N1CCC(O)CC1 ZINC000048236297 221001935 /nfs/dbraw/zinc/00/19/35/221001935.db2.gz UQICRDHFPOFAEI-UHFFFAOYSA-N 0 0 371.393 2.573 50 5 FFBARN O=C(CN1CC(=O)Oc2ccccc21)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000000938291 132252501 /nfs/dbraw/zinc/25/25/01/132252501.db2.gz ZIVXODQGLNIBFO-UHFFFAOYSA-N 0 0 361.741 2.612 50 5 FFBARN O=C(Cc1ccccc1[N+](=O)[O-])OCC(=O)N1CCCc2ccccc21 ZINC000003307655 132254334 /nfs/dbraw/zinc/25/43/34/132254334.db2.gz JNMGKPDOFRVYKC-UHFFFAOYSA-N 0 0 354.362 2.660 50 5 FFBARN O=[N+]([O-])c1cc(CN2CCN(c3ccc(F)cc3)CC2)c2c(c1)COCO2 ZINC000057478243 136129559 /nfs/dbraw/zinc/12/95/59/136129559.db2.gz CVRFUMXGRIBYGL-UHFFFAOYSA-N 0 0 373.384 2.923 50 5 FFBARN Cn1c2cc3nc4c5cccc6cccc(c(=O)n4c3cc2n(C)c1=O)c65 ZINC000000783631 506231920 /nfs/dbraw/zinc/23/19/20/506231920.db2.gz SWQFKDAVOUQPIF-UHFFFAOYSA-N 0 0 354.369 2.782 50 5 FFBARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 ZINC000000845698 506235674 /nfs/dbraw/zinc/23/56/74/506235674.db2.gz DIMRIHQLQXFZIA-MRXNPFEDSA-N 0 0 352.350 2.861 50 5 FFBARN COc1cc(CN2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc(OC)c1 ZINC000000865231 506236920 /nfs/dbraw/zinc/23/69/20/506236920.db2.gz IUNIQBKYVAPVTO-UHFFFAOYSA-N 0 0 371.437 2.930 50 5 FFBARN C[C@@H]1C(=O)N(c2ccccc2F)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000037521833 506427857 /nfs/dbraw/zinc/42/78/57/506427857.db2.gz VWDFQILPHDOANP-GFCCVEGCSA-N 0 0 357.341 2.611 50 5 FFBARN CN1CCN(c2ccc(C(=O)N3CCCCCCC3)cc2[N+](=O)[O-])CC1 ZINC000008726345 506664457 /nfs/dbraw/zinc/66/44/57/506664457.db2.gz LEAICZPJSKDEJP-UHFFFAOYSA-N 0 0 360.458 2.753 50 5 FFBARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1ccc(F)c([N+](=O)[O-])c1 ZINC000011160995 506766773 /nfs/dbraw/zinc/76/67/73/506766773.db2.gz PBZGYUCGDHESBK-LLVKDONJSA-N 0 0 372.356 2.910 50 5 FFBARN Cc1sc2ncnc(N[C@H](CO)[C@H](O)c3ccc([N+](=O)[O-])cc3)c2c1C ZINC000011170300 506768240 /nfs/dbraw/zinc/76/82/40/506768240.db2.gz HAGOYDBUFBWQDO-UKRRQHHQSA-N 0 0 374.422 2.723 50 5 FFBARN O=C(COc1cc(F)ccc1[N+](=O)[O-])Nc1cccc(C(=O)NC2CC2)c1 ZINC000011234705 506769584 /nfs/dbraw/zinc/76/95/84/506769584.db2.gz RARCRRIJCMNZNW-UHFFFAOYSA-N 0 0 373.340 2.644 50 5 FFBARN Cc1ccccc1[C@@H](C)NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000014092828 506964648 /nfs/dbraw/zinc/96/46/48/506964648.db2.gz PFBQTEPUMKSXLP-GFCCVEGCSA-N 0 0 355.350 2.689 50 5 FFBARN O=[N+]([O-])c1cc(Br)cc2[nH]nc(I)c21 ZINC000014983659 507010072 /nfs/dbraw/zinc/01/00/72/507010072.db2.gz XYFNADHXJUJAOA-UHFFFAOYSA-N 0 0 367.928 2.838 50 5 FFBARN O=[N+]([O-])c1cc(F)ccc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000015208446 507025158 /nfs/dbraw/zinc/02/51/58/507025158.db2.gz YLBZHPHLWOTYRL-UHFFFAOYSA-N 0 0 359.357 2.785 50 5 FFBARN O=C(CSc1nc2ccccc2c(=O)[nH]1)Nc1cccc([N+](=O)[O-])c1 ZINC000015988010 507069182 /nfs/dbraw/zinc/06/91/82/507069182.db2.gz ZBPNPYBVLCSWTF-UHFFFAOYSA-N 0 0 356.363 2.562 50 5 FFBARN Cc1c(NC(=O)CN(C)Cc2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] ZINC000019541860 507179028 /nfs/dbraw/zinc/17/90/28/507179028.db2.gz XUFNXDWADJPFMU-UHFFFAOYSA-N 0 0 357.366 2.702 50 5 FFBARN O=[N+]([O-])c1ccc2c(c1)[C@@H](N1CCOCC1)/C(=C/C1(O)CCCCC1)O2 ZINC000019782221 507201606 /nfs/dbraw/zinc/20/16/06/507201606.db2.gz NTHQPAPZADRELK-MTMYEVCSSA-N 0 0 360.410 2.940 50 5 FFBARN c1nc2c3sc4nc(N5CCOCC5)c5c(c4c3ncn2n1)CCCC5 ZINC000020082118 507211122 /nfs/dbraw/zinc/21/11/22/507211122.db2.gz HPFDGNLLWLLICC-UHFFFAOYSA-N 0 0 366.450 2.603 50 5 FFBARN O=C(NCCc1cc(Cl)c2c(c1)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000025044501 507460745 /nfs/dbraw/zinc/46/07/45/507460745.db2.gz NGOPRPULBOUKJH-UHFFFAOYSA-N 0 0 362.769 2.992 50 5 FFBARN COCCNc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2ccccc2C1 ZINC000025315240 507487494 /nfs/dbraw/zinc/48/74/94/507487494.db2.gz GYRRYVAAIRSSBJ-UHFFFAOYSA-N 0 0 355.394 2.852 50 5 FFBARN O=C(COc1cccc(N2CCCC2=O)c1)OCc1cccc([N+](=O)[O-])c1 ZINC000025390230 507495636 /nfs/dbraw/zinc/49/56/36/507495636.db2.gz JOHNZFHHWZBIEL-UHFFFAOYSA-N 0 0 370.361 2.844 50 5 FFBARN CN(C)C(=O)COc1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000025991386 507549645 /nfs/dbraw/zinc/54/96/45/507549645.db2.gz DFNSILZZHHNVQR-IZZDOVSWSA-N 0 0 369.377 2.714 50 5 FFBARN COc1cc(OC)cc([C@H](Nc2ncccc2[N+](=O)[O-])c2nccn2C)c1 ZINC000028620309 507731247 /nfs/dbraw/zinc/73/12/47/507731247.db2.gz AYHVBHLAEQJCMZ-INIZCTEOSA-N 0 0 369.381 2.942 50 5 FFBARN O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1ccc(N2CCCC2)nc1 ZINC000030299319 507805515 /nfs/dbraw/zinc/80/55/15/507805515.db2.gz OAUPCCHNGKPCSH-UHFFFAOYSA-N 0 0 372.450 2.999 50 5 FFBARN O=C(Nc1ccc2c(c1)OCCO2)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000031204809 507818183 /nfs/dbraw/zinc/81/81/83/507818183.db2.gz BJCPDFRWBHDSTM-UHFFFAOYSA-N 0 0 366.333 2.804 50 5 FFBARN O=[N+]([O-])c1ccc(NCCN2CCN(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000031576752 507820432 /nfs/dbraw/zinc/82/04/32/507820432.db2.gz ZJEOSBMNMHTBCP-UHFFFAOYSA-N 0 0 371.397 2.737 50 5 FFBARN Cc1cccc(C(=O)N[C@@H](C)c2ccc3c(c2)NC(=O)CO3)c1[N+](=O)[O-] ZINC000031737071 507821392 /nfs/dbraw/zinc/82/13/92/507821392.db2.gz MIPJVBXLFOPWHQ-NSHDSACASA-N 0 0 355.350 2.725 50 5 FFBARN CS(=O)(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])c3cccnc23)cn1 ZINC000225533361 509375910 /nfs/dbraw/zinc/37/59/10/509375910.db2.gz MUVXDNKLVZNSND-UHFFFAOYSA-N 0 0 360.351 2.702 50 5 FFBARN C[C@H]1c2cccn2CCN1S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000225832596 509389766 /nfs/dbraw/zinc/38/97/66/509389766.db2.gz GXGXPJNUBPOMHH-VIFPVBQESA-N 0 0 373.793 2.954 50 5 FFBARN CC(C)OC(=O)CNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000252548724 509850802 /nfs/dbraw/zinc/85/08/02/509850802.db2.gz QHPSFQQASBMXOE-UHFFFAOYSA-N 0 0 351.237 2.885 50 5 FFBARN COc1cccc(C(=O)Cn2cc(-c3cccc([N+](=O)[O-])c3)n(C)c2=N)c1 ZINC000334157516 511466534 /nfs/dbraw/zinc/46/65/34/511466534.db2.gz FCBBIKBQXVALAP-UHFFFAOYSA-N 0 0 366.377 2.773 50 5 FFBARN CCOc1ccc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000019789991 520971802 /nfs/dbraw/zinc/97/18/02/520971802.db2.gz SDKNZFSOAWLOAT-UHFFFAOYSA-N 0 0 369.421 2.952 50 5 FFBARN Cc1ccc(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000049703897 570965601 /nfs/dbraw/zinc/96/56/01/570965601.db2.gz KSCDCPSBDHWTEO-KRWDZBQOSA-N 0 0 374.418 2.939 50 5 FFBARN COc1ccccc1N1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])o2)CC1 ZINC000096911522 1012453472 /nfs/dbraw/zinc/45/34/72/1012453472.db2.gz PJJDIEXJKRHFGV-VURMDHGXSA-N 0 0 357.366 2.558 50 5 FFBARN COc1ccc(C(=O)NC(=S)Nc2cccc(C(C)=O)c2)cc1[N+](=O)[O-] ZINC000000882013 203960853 /nfs/dbraw/zinc/96/08/53/203960853.db2.gz ZKWAYHXCTNAVNJ-UHFFFAOYSA-N 0 0 373.390 2.933 50 5 FFBARN O=C(Oc1cc(=O)oc2c3cccc4c3n(c(=O)c12)CC4)c1cccs1 ZINC000001036073 203975149 /nfs/dbraw/zinc/97/51/49/203975149.db2.gz ZKQDGGLBERECBC-UHFFFAOYSA-N 0 0 365.366 2.945 50 5 FFBARN COCCCn1c(=O)c2c(=O)c3ccccc3oc2nc1-c1ccco1 ZINC000002432932 204038433 /nfs/dbraw/zinc/03/84/33/204038433.db2.gz DUXSLOAEPWIKKQ-UHFFFAOYSA-N 0 0 352.346 2.799 50 5 FFBARN Cn1c2ccccc2c2c(c1=O)[C@H](c1ccc([N+](=O)[O-])cc1)CC(=O)O2 ZINC000001427905 204007447 /nfs/dbraw/zinc/00/74/47/204007447.db2.gz JOACQBGALQTWTC-AWEZNQCLSA-N 0 0 350.330 2.888 50 5 FFBARN COC(=O)Oc1c(Br)cc2oc(=O)sc2c1[N+](=O)[O-] ZINC000001445389 204008672 /nfs/dbraw/zinc/00/86/72/204008672.db2.gz IXXNRWWJTJCLIA-UHFFFAOYSA-N 0 0 350.102 2.670 50 5 FFBARN CCn1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)c2ccc(C)nc21 ZINC000003017595 204074050 /nfs/dbraw/zinc/07/40/50/204074050.db2.gz MKZBPPSUBWNLTM-UHFFFAOYSA-N 0 0 352.350 2.885 50 5 FFBARN CCOC(=O)c1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000002837187 204061367 /nfs/dbraw/zinc/06/13/67/204061367.db2.gz AQUORSRWZGWJHH-UHFFFAOYSA-N 0 0 365.363 2.848 50 5 FFBARN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1Cl)N1CCc2ccccc21 ZINC000003317897 204091685 /nfs/dbraw/zinc/09/16/85/204091685.db2.gz UAMLNRBXDNBWSP-UHFFFAOYSA-N 0 0 360.753 2.994 50 5 FFBARN O=[N+]([O-])c1ccc2c(c1NCCc1ccccc1)[N-]C1(CCCCC1)[N+]2=O ZINC000003901808 204114559 /nfs/dbraw/zinc/11/45/59/204114559.db2.gz DLICXRANLDJSBY-UHFFFAOYSA-N 0 0 366.421 2.532 50 5 FFBARN COC(=O)C(Cc1ccc(C)cc1)(C(=O)OC)c1ccc([N+](=O)[O-])cc1 ZINC000004072874 204119863 /nfs/dbraw/zinc/11/98/63/204119863.db2.gz RPUBDPDYHCHCJZ-UHFFFAOYSA-N 0 0 357.362 2.730 50 5 FFBARN Cc1ncc([N+](=O)[O-])n1Cc1nnc(SCc2cccc(F)c2)n1C ZINC000004625594 204151280 /nfs/dbraw/zinc/15/12/80/204151280.db2.gz STMKZCMTSNXUEJ-UHFFFAOYSA-N 0 0 362.390 2.708 50 5 FFBARN O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C(=O)N2CCCCCC2)C1 ZINC000004746129 204160685 /nfs/dbraw/zinc/16/06/85/204160685.db2.gz IZXVXUJJNOOBKR-MRXNPFEDSA-N 0 0 359.426 2.850 50 5 FFBARN CCOC(=O)c1cccc(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)c1 ZINC000004754686 204162006 /nfs/dbraw/zinc/16/20/06/204162006.db2.gz ZMIWHKGNDWERHR-UHFFFAOYSA-N 0 0 372.333 2.810 50 5 FFBARN CC(C)N1c2ccccc2[C@@](O)(CC(=O)c2ccccc2[N+](=O)[O-])C1=O ZINC000004554714 204147190 /nfs/dbraw/zinc/14/71/90/204147190.db2.gz MLUFEVAIXPEVKF-IBGZPJMESA-N 0 0 354.362 2.810 50 5 FFBARN O=C1C[C@@]2(CC(c3cccc([N+](=O)[O-])c3)=NO2)C(=O)N1c1ccc(F)cc1 ZINC000005068944 204189050 /nfs/dbraw/zinc/18/90/50/204189050.db2.gz WCPLZEBZUIBMNC-SFHVURJKSA-N 0 0 369.308 2.561 50 5 FFBARN CCOC(=O)[C@H]1CCCN(C(=O)CSc2ccsc2[N+](=O)[O-])C1 ZINC000005069153 204189199 /nfs/dbraw/zinc/18/91/99/204189199.db2.gz AGBJHLAQEOHRMC-JTQLQIEISA-N 0 0 358.441 2.550 50 5 FFBARN Cc1[nH]c2ccccc2c1[C@@]1(O)c2cc([N+](=O)[O-])cc(C)c2N(C)C1=O ZINC000005059936 204189335 /nfs/dbraw/zinc/18/93/35/204189335.db2.gz XVOZWWNOGCQLKX-IBGZPJMESA-N 0 0 351.362 2.905 50 5 FFBARN COc1n[nH]c(C(=O)Nc2ccc(Br)c(C)c2)c1[N+](=O)[O-] ZINC000006527799 204251824 /nfs/dbraw/zinc/25/18/24/204251824.db2.gz HTXWZXKCYXWRFV-UHFFFAOYSA-N 0 0 355.148 2.650 50 5 FFBARN Cc1c(Cl)cc(S(=O)(=O)N[C@@H](C)c2ccccn2)cc1[N+](=O)[O-] ZINC000007364746 204294883 /nfs/dbraw/zinc/29/48/83/204294883.db2.gz OABATWFTLJKKCY-JTQLQIEISA-N 0 0 355.803 2.991 50 5 FFBARN CCc1ccc2c(c1)[C@](O)(CC(=O)c1ccc(OC)c([N+](=O)[O-])c1)C(=O)N2 ZINC000006758914 204266917 /nfs/dbraw/zinc/26/69/17/204266917.db2.gz WBYTVVYNLDAZEU-LJQANCHMSA-N 0 0 370.361 2.579 50 5 FFBARN COc1ccc(OCC(=O)NCCc2c[nH]c3ccccc23)c([N+](=O)[O-])c1 ZINC000008203198 204322180 /nfs/dbraw/zinc/32/21/80/204322180.db2.gz XFVHPWHGIDUHJK-UHFFFAOYSA-N 0 0 369.377 2.822 50 5 FFBARN COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000009387404 204365477 /nfs/dbraw/zinc/36/54/77/204365477.db2.gz CTMGTIPZTLEQTH-KRWDZBQOSA-N 0 0 354.362 2.643 50 5 FFBARN CCN(CC)[C@@H](C(=O)NC1CCCC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000036644159 204382210 /nfs/dbraw/zinc/38/22/10/204382210.db2.gz LTSSQRZCUMEKCX-QGZVFWFLSA-N 0 0 363.414 2.765 50 5 FFBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(NC(=O)C2CC2)cc1 ZINC000012435522 204463383 /nfs/dbraw/zinc/46/33/83/204463383.db2.gz WQKANAGUSYOHEX-UHFFFAOYSA-N 0 0 355.350 2.961 50 5 FFBARN COc1ccc(CC(=O)NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000016143237 204631823 /nfs/dbraw/zinc/63/18/23/204631823.db2.gz ZIBXKLYSCJEECS-UHFFFAOYSA-N 0 0 374.393 2.522 50 5 FFBARN COc1cccc2c1O[C@]1(N3CCOCC3)CCCC[C@@H]1[C@@H]2C[N+](=O)[O-] ZINC000020413951 204723817 /nfs/dbraw/zinc/72/38/17/204723817.db2.gz WZXCWLCTYQZXIV-GPMSIDNRSA-N 0 0 362.426 2.667 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1Cn1cnc2sc3c(c2c1=O)CCC3 ZINC000022985426 204794177 /nfs/dbraw/zinc/79/41/77/204794177.db2.gz GMQMRCTWJVYCNR-UHFFFAOYSA-N 0 0 357.391 2.912 50 5 FFBARN Cc1nc(CCNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cs1 ZINC000040105422 205055292 /nfs/dbraw/zinc/05/52/92/205055292.db2.gz WOYFVTUQMXMTNV-UHFFFAOYSA-N 0 0 357.395 2.518 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)Cc1cnc(C)s1 ZINC000047259175 205144235 /nfs/dbraw/zinc/14/42/35/205144235.db2.gz IGQDFODUNWDQHQ-SNVBAGLBSA-N 0 0 364.427 2.827 50 5 FFBARN Cc1c(C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000048956395 205167269 /nfs/dbraw/zinc/16/72/69/205167269.db2.gz OCLMRJYGNSJFLQ-QGZVFWFLSA-N 0 0 367.405 2.997 50 5 FFBARN Cc1ccc(C(=O)N2CCC(C(=O)NCc3ccco3)CC2)cc1[N+](=O)[O-] ZINC000058367776 205273405 /nfs/dbraw/zinc/27/34/05/205273405.db2.gz WCUIWMBVSIENEB-UHFFFAOYSA-N 0 0 371.393 2.665 50 5 FFBARN CC[C@@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C12CC3CC(CC(C3)C1)C2 ZINC000065478491 205354313 /nfs/dbraw/zinc/35/43/13/205354313.db2.gz JLYMRUOSSURKPY-SJFHUFEGSA-N 0 0 373.453 2.868 50 5 FFBARN COc1cc([N+](=O)[O-])cc2cc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c(=O)oc21 ZINC000001061193 206144597 /nfs/dbraw/zinc/14/45/97/206144597.db2.gz ZGSQUCDIWPUGLR-GHMZBOCLSA-N 0 0 360.366 2.828 50 5 FFBARN COC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1OC ZINC000004904338 206184939 /nfs/dbraw/zinc/18/49/39/206184939.db2.gz RIHDLQASKNZDDH-PTNGSMBKSA-N 0 0 356.334 2.547 50 5 FFBARN CCOC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000007552114 206209972 /nfs/dbraw/zinc/20/99/72/206209972.db2.gz XJYPUWTXLHFHQG-ZDUSSCGKSA-N 0 0 369.830 2.946 50 5 FFBARN Cc1nc2sccc2c(=O)n1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000007269678 206210083 /nfs/dbraw/zinc/21/00/83/206210083.db2.gz FGPOFBYDMQNJPH-UHFFFAOYSA-N 0 0 364.770 2.712 50 5 FFBARN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)ccc1Cl ZINC000007052131 206244065 /nfs/dbraw/zinc/24/40/65/206244065.db2.gz ACRXDXOPEKGWON-UHFFFAOYSA-N 0 0 370.770 2.820 50 5 FFBARN Cn1cccc1[C@H]1COCCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000163938293 206234050 /nfs/dbraw/zinc/23/40/50/206234050.db2.gz GXJGSCFEOMHWAZ-GOSISDBHSA-N 0 0 370.409 2.721 50 5 FFBARN C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000014215488 206310981 /nfs/dbraw/zinc/31/09/81/206310981.db2.gz SKNHVKKKWCAASB-GFCCVEGCSA-N 0 0 358.350 2.622 50 5 FFBARN O=C(CSc1n[nH]c(-c2cccnc2)n1)Nc1ccc([N+](=O)[O-])cc1 ZINC000015913543 206316801 /nfs/dbraw/zinc/31/68/01/206316801.db2.gz DJGCBSNDQKKEQF-UHFFFAOYSA-N 0 0 356.367 2.506 50 5 FFBARN Cc1ccc(C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCC4)cc1[N+](=O)[O-] ZINC000032905781 206514702 /nfs/dbraw/zinc/51/47/02/206514702.db2.gz LWNGCADGMPVAPC-UHFFFAOYSA-N 0 0 364.361 2.812 50 5 FFBARN O=C(Nc1ccc2c(c1)CCO2)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000095988742 132216574 /nfs/dbraw/zinc/21/65/74/132216574.db2.gz CKECGRNGCYSJCJ-UHFFFAOYSA-N 0 0 369.377 2.619 50 5 FFBARN O=C(NCc1ccc(F)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000004660525 132387040 /nfs/dbraw/zinc/38/70/40/132387040.db2.gz JQSZSEPCHAVESY-UHFFFAOYSA-N 0 0 359.357 2.501 50 5 FFBARN O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCC[C@@H](O)C1 ZINC000040071365 136119195 /nfs/dbraw/zinc/11/91/95/136119195.db2.gz XDBKVWGNEBQJFJ-SNVBAGLBSA-N 0 0 352.188 2.867 50 5 FFBARN Cc1cc(NC(=O)CN2CCN(c3ccccc3)CC2)c([N+](=O)[O-])cc1C ZINC000057338179 136128640 /nfs/dbraw/zinc/12/86/40/136128640.db2.gz VTYJMGXIUGTHTN-UHFFFAOYSA-N 0 0 368.437 2.972 50 5 FFBARN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)[C@@H]1COc2ccccc2O1 ZINC000000953141 506240640 /nfs/dbraw/zinc/24/06/40/506240640.db2.gz AICVVEYTDPSICO-ZDUSSCGKSA-N 0 0 357.347 2.983 50 5 FFBARN O=C(Oc1cc(=O)oc2c3cccc4c3n(c(=O)c12)CC4)c1ccccc1 ZINC000001036072 506243176 /nfs/dbraw/zinc/24/31/76/506243176.db2.gz JFXJPALAKOIIEH-UHFFFAOYSA-N 0 0 359.337 2.883 50 5 FFBARN CC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000001175176 506253913 /nfs/dbraw/zinc/25/39/13/506253913.db2.gz IAECCXUAPKSNDA-UHFFFAOYSA-N 0 0 372.406 2.988 50 5 FFBARN CN1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC1 ZINC000032803808 506296642 /nfs/dbraw/zinc/29/66/42/506296642.db2.gz RWZUCVVZNGJKIQ-UHFFFAOYSA-N 0 0 351.204 2.657 50 5 FFBARN Cc1ccc2nc(COC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)cn2c1 ZINC000032830060 506300010 /nfs/dbraw/zinc/30/00/10/506300010.db2.gz VYHDSWVAAKUCEW-UHFFFAOYSA-N 0 0 355.306 2.637 50 5 FFBARN CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000008728138 506664413 /nfs/dbraw/zinc/66/44/13/506664413.db2.gz NMBWORYDZBKYGJ-UHFFFAOYSA-N 0 0 356.382 2.725 50 5 FFBARN COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(C)n2)cc1OC ZINC000008720935 506664535 /nfs/dbraw/zinc/66/45/35/506664535.db2.gz HBTFXVCOTMUFFZ-UHFFFAOYSA-N 0 0 361.354 2.584 50 5 FFBARN O=C(COc1cccnc1[N+](=O)[O-])Nc1cccc(Br)c1 ZINC000012533368 506871911 /nfs/dbraw/zinc/87/19/11/506871911.db2.gz LQNXCWCEXQVEBM-UHFFFAOYSA-N 0 0 352.144 2.770 50 5 FFBARN Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1F ZINC000012634186 506888061 /nfs/dbraw/zinc/88/80/61/506888061.db2.gz GBPZBLSHPLHIBM-UHFFFAOYSA-N 0 0 373.384 2.809 50 5 FFBARN CN(Cc1cnn(-c2ccccc2)c1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000012942265 506917822 /nfs/dbraw/zinc/91/78/22/506917822.db2.gz UOKKJCUZCQTYOR-UHFFFAOYSA-N 0 0 366.377 2.818 50 5 FFBARN Cc1nn(CC(=O)NCCSCc2ccsc2)c(C)c1[N+](=O)[O-] ZINC000014016660 506962843 /nfs/dbraw/zinc/96/28/43/506962843.db2.gz LLVDNOBTQMVWGF-UHFFFAOYSA-N 0 0 354.457 2.519 50 5 FFBARN O=[N+]([O-])c1ccc(S(=O)(=O)NCCCCOc2ccccc2)cc1 ZINC000014097679 506965946 /nfs/dbraw/zinc/96/59/46/506965946.db2.gz RBOFZTCFTMROIV-UHFFFAOYSA-N 0 0 350.396 2.732 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000014136706 506970004 /nfs/dbraw/zinc/97/00/04/506970004.db2.gz CYSWMHZHEWSDKV-UHFFFAOYSA-N 0 0 355.350 2.748 50 5 FFBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCNC(=O)c1ccsc1 ZINC000015179664 507023376 /nfs/dbraw/zinc/02/33/76/507023376.db2.gz ZYNOZGVLNBXGCU-GFCCVEGCSA-N 0 0 361.423 2.996 50 5 FFBARN NC(=O)c1cc(Cl)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000016662296 507101943 /nfs/dbraw/zinc/10/19/43/507101943.db2.gz OSUCFEHCRDXSLV-UHFFFAOYSA-N 0 0 364.741 2.793 50 5 FFBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000018227913 507146009 /nfs/dbraw/zinc/14/60/09/507146009.db2.gz VDQCPZZGQXMZHZ-GJZGRUSLSA-N 0 0 371.393 2.573 50 5 FFBARN COc1cccc(C(=O)N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000019773755 507201152 /nfs/dbraw/zinc/20/11/52/507201152.db2.gz UXAYPTFJHVQVRI-UHFFFAOYSA-N 0 0 355.394 2.561 50 5 FFBARN COCCN1C(=O)c2[nH]nc(-c3ccco3)c2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000020744610 507233370 /nfs/dbraw/zinc/23/33/70/507233370.db2.gz BNZJGZNFLPVPKA-QGZVFWFLSA-N 0 0 368.349 2.770 50 5 FFBARN CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc2ccccn21 ZINC000020739271 507233943 /nfs/dbraw/zinc/23/39/43/507233943.db2.gz PRCMQSYSBQWUIX-CQSZACIVSA-N 0 0 371.422 2.862 50 5 FFBARN COC(=O)c1cc([N+](=O)[O-])cc(C(=O)OC)c1NCc1ccc(OC)cc1 ZINC000020863093 507235733 /nfs/dbraw/zinc/23/57/33/507235733.db2.gz VOGLVMHKQIDOFO-UHFFFAOYSA-N 0 0 374.349 2.789 50 5 FFBARN CC(=O)Oc1ccccc1[C@H]1OC(c2ccc([N+](=O)[O-])cc2)=NN1C(C)=O ZINC000021092340 507243401 /nfs/dbraw/zinc/24/34/01/507243401.db2.gz PCPPYMGAISXUIX-GOSISDBHSA-N 0 0 369.333 2.759 50 5 FFBARN CCOC(=O)CCN(C(=O)c1ccc(NC)c([N+](=O)[O-])c1)c1ccccn1 ZINC000022011559 507277839 /nfs/dbraw/zinc/27/78/39/507277839.db2.gz FYSFQBXGCDIVMA-UHFFFAOYSA-N 0 0 372.381 2.632 50 5 FFBARN COC(=O)c1ccc([C@@H](C)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000025913125 507542541 /nfs/dbraw/zinc/54/25/41/507542541.db2.gz UCABCPRUQVZHNN-CYBMUJFWSA-N 0 0 359.382 2.858 50 5 FFBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nnc3ccccn32)CC1 ZINC000028735684 507740767 /nfs/dbraw/zinc/74/07/67/507740767.db2.gz CNEYDOYRMYPHSJ-UHFFFAOYSA-N 0 0 351.366 2.657 50 5 FFBARN O=C(COc1ccccc1[N+](=O)[O-])N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000029112322 507760135 /nfs/dbraw/zinc/76/01/35/507760135.db2.gz ZYMGVEULPRIKAF-KRWDZBQOSA-N 0 0 360.341 2.713 50 5 FFBARN CS(=O)(=O)c1ccc(NCCCOCc2ccco2)c([N+](=O)[O-])c1 ZINC000029469441 507779234 /nfs/dbraw/zinc/77/92/34/507779234.db2.gz BMQORKCOQKIRSR-UHFFFAOYSA-N 0 0 354.384 2.610 50 5 FFBARN C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)N1CCc2sccc2C1 ZINC000031964416 507822524 /nfs/dbraw/zinc/82/25/24/507822524.db2.gz VAVCJTHAPOWNMK-ZDUSSCGKSA-N 0 0 359.451 2.762 50 5 FFBARN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C[C@H](NC(N)=O)c1cccs1)CC2 ZINC000095459638 508186708 /nfs/dbraw/zinc/18/67/08/508186708.db2.gz HCJMPMWRFHXGDV-LBPRGKRZSA-N 0 0 374.422 2.654 50 5 FFBARN O=C(CN1CCc2cc([N+](=O)[O-])ccc21)NC(=O)NCCC1=CCCCC1 ZINC000095469797 508187684 /nfs/dbraw/zinc/18/76/84/508187684.db2.gz DTVHUMXDLJFCHK-UHFFFAOYSA-N 0 0 372.425 2.674 50 5 FFBARN Cc1cc(C)[nH+]c(=N[N-]c2c([N+](=O)[O-])cc([N+](=O)[O-])c(C)c2[N+](=O)[O-])[nH]1 ZINC000100281195 508238965 /nfs/dbraw/zinc/23/89/65/508238965.db2.gz GPWATPKPJJKWAV-UHFFFAOYSA-N 0 0 363.290 2.565 50 5 FFBARN CC(=O)Nc1cccc2c1CCN(C(=O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000083815578 508258935 /nfs/dbraw/zinc/25/89/35/508258935.db2.gz CVKMJNUOLCNPND-UHFFFAOYSA-N 0 0 369.377 2.517 50 5 FFBARN COCN1C(=O)CCc2cc(NC(=O)Cc3cccc([N+](=O)[O-])c3)ccc21 ZINC000170603882 509677855 /nfs/dbraw/zinc/67/78/55/509677855.db2.gz QVYSMOVIUSELDE-UHFFFAOYSA-N 0 0 369.377 2.659 50 5 FFBARN CN(c1ccccc1)c1cc(N2CCOCC2)c2nonc2c1[N+](=O)[O-] ZINC000003904315 536298220 /nfs/dbraw/zinc/29/82/20/536298220.db2.gz LOPRCKRCJFZQEX-UHFFFAOYSA-N 0 0 355.354 2.736 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1CN1c2ccccc2[C@@H](C(N)=O)C[C@@H]1C ZINC000058424536 536952195 /nfs/dbraw/zinc/95/21/95/536952195.db2.gz BDHYBMIDMIUTTA-LRDDRELGSA-N 0 0 355.394 2.971 50 5 FFBARN CC(=O)Oc1ccc2nc(COc3cccc([N+](=O)[O-])c3)oc(=O)c2c1 ZINC000001175426 1014445783 /nfs/dbraw/zinc/44/57/83/1014445783.db2.gz SOHZQTQHWOQHKD-UHFFFAOYSA-N 0 0 356.290 2.601 50 5 FFBARN O=C(C=Cc1cccc([N+](=O)[O-])c1)OCC(=O)c1ccc2c(c1)OCCO2 ZINC000033531186 990379777 /nfs/dbraw/zinc/37/97/77/990379777.db2.gz IEWZESMJGOCYOB-DAXSKMNVSA-N 0 0 369.329 2.805 50 5 FFBARN COc1cc(/C=C\C(=O)NC[C@H]2CCCO2)c([N+](=O)[O-])cc1OC(F)F ZINC000096942913 1012484982 /nfs/dbraw/zinc/48/49/82/1012484982.db2.gz TZXOEWRVZNDTDO-DOGVGXBMSA-N 0 0 372.324 2.513 50 5 FFBARN Cc1nn(C)c(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2C)c1Cl ZINC000001005769 219352403 /nfs/dbraw/zinc/35/24/03/219352403.db2.gz QYBAUPOSVYDHDN-UHFFFAOYSA-N 0 0 367.818 2.725 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000001049091 219358337 /nfs/dbraw/zinc/35/83/37/219358337.db2.gz GDXXJINLJNCHJR-ZDUSSCGKSA-N 0 0 369.377 2.903 50 5 FFBARN C[C@@H](CNC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccccc1 ZINC000022624160 209689361 /nfs/dbraw/zinc/68/93/61/209689361.db2.gz VMASUPAYLKJTEN-QWHCGFSZSA-N 0 0 371.393 2.642 50 5 FFBARN CCCC(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000004076435 209410825 /nfs/dbraw/zinc/41/08/25/209410825.db2.gz UDDLNGXLSJHZGW-UHFFFAOYSA-N 0 0 355.397 2.623 50 5 FFBARN COC(=O)c1c(C)[nH]c(C(=O)COc2cc([N+](=O)[O-])ccc2OC)c1C ZINC000009514670 219881766 /nfs/dbraw/zinc/88/17/66/219881766.db2.gz UDMFRWIIGAVLMQ-UHFFFAOYSA-N 0 0 362.338 2.597 50 5 FFBARN O=C1C[C@H](Nc2ccc3c(c2)CCC3)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000103713779 209254481 /nfs/dbraw/zinc/25/44/81/209254481.db2.gz MLHPVCAHGILISS-KRWDZBQOSA-N 0 0 351.362 2.828 50 5 FFBARN COc1ccc(C2=Nc3nnnn3[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000101113357 209222076 /nfs/dbraw/zinc/22/20/76/209222076.db2.gz UZJQBHVQYUFLJL-INIZCTEOSA-N 0 0 350.338 2.646 50 5 FFBARN COc1cccc(C2=Nc3nnnn3[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000101130730 209221501 /nfs/dbraw/zinc/22/15/01/209221501.db2.gz XDISNZCHMFENGK-MRXNPFEDSA-N 0 0 350.338 2.646 50 5 FFBARN COc1ccc(C(=O)Nc2cc3cc([N+](=O)[O-])ccc3oc2=O)cc1OC ZINC000000716118 206827345 /nfs/dbraw/zinc/82/73/45/206827345.db2.gz QNOQRDCMVHJETD-UHFFFAOYSA-N 0 0 370.317 2.971 50 5 FFBARN COC(=O)c1ccc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc1 ZINC000000822635 206836512 /nfs/dbraw/zinc/83/65/12/206836512.db2.gz XRWOCUCLEOUEGJ-DHDCSXOGSA-N 0 0 352.302 2.726 50 5 FFBARN O=c1oc2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2s1 ZINC000002024271 206900669 /nfs/dbraw/zinc/90/06/69/206900669.db2.gz GSEFQHILHWXQCY-UHFFFAOYSA-N 0 0 353.333 2.530 50 5 biogenic FFBARN C[C@H](CCc1ccccc1)NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002651372 206927154 /nfs/dbraw/zinc/92/71/54/206927154.db2.gz WFDLJIGYXSJDJQ-CQSZACIVSA-N 0 0 356.378 2.889 50 5 FFBARN O=C(Nc1cc2cccc([N+](=O)[O-])c2oc1=O)c1ccccc1[N+](=O)[O-] ZINC000004644723 207033593 /nfs/dbraw/zinc/03/35/93/207033593.db2.gz YPSAMKJAZJSJHC-UHFFFAOYSA-N 0 0 355.262 2.862 50 5 FFBARN O=[N+]([O-])c1cccc(/C=C2\CCc3cnn([C@@H]4CCS(=O)(=O)C4)c32)c1 ZINC000004945980 207065467 /nfs/dbraw/zinc/06/54/67/207065467.db2.gz BONNIDXNLFPSSE-WDBUWWRISA-N 0 0 359.407 2.638 50 5 FFBARN O=C(Nc1ncc([N+](=O)[O-])s1)c1cccn(Cc2ccccc2)c1=O ZINC000004940320 207065799 /nfs/dbraw/zinc/06/57/99/207065799.db2.gz ISJZWVHGIWRHLI-UHFFFAOYSA-N 0 0 356.363 2.514 50 5 FFBARN Cc1cccc(C)c1OCC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004916704 207061648 /nfs/dbraw/zinc/06/16/48/207061648.db2.gz BPDVLDPACCWOQP-UHFFFAOYSA-N 0 0 358.350 2.772 50 5 FFBARN CCOc1ccc(Nc2nc(NC[C@@H]3CCCO3)nc(N)c2[N+](=O)[O-])cc1 ZINC000005118906 207082151 /nfs/dbraw/zinc/08/21/51/207082151.db2.gz ZXLLYTWXTRLCGH-ZDUSSCGKSA-N 0 0 374.401 2.700 50 5 FFBARN Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1n[nH]c2ccccc21 ZINC000005360330 207096141 /nfs/dbraw/zinc/09/61/41/207096141.db2.gz NLBNRRNVDNAVFC-UHFFFAOYSA-N 0 0 354.322 2.575 50 5 FFBARN CN(C)[C@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000005688230 207112281 /nfs/dbraw/zinc/11/22/81/207112281.db2.gz RWNDXGYKQFIYPY-QGZVFWFLSA-N 0 0 363.439 2.713 50 5 FFBARN CCc1ccc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2NCCO)cc1 ZINC000006247139 207134350 /nfs/dbraw/zinc/13/43/50/207134350.db2.gz GVWMZQVJLYHGCL-UHFFFAOYSA-N 0 0 372.377 2.601 50 5 FFBARN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CC(=O)Nc1cccc(F)c1 ZINC000006607331 207148702 /nfs/dbraw/zinc/14/87/02/207148702.db2.gz AMZZRCVGOGLVNB-GFCCVEGCSA-N 0 0 374.372 2.631 50 5 FFBARN O=C(CCn1cc(Cl)c([N+](=O)[O-])n1)Nc1ccc(Br)cn1 ZINC000006926617 207178419 /nfs/dbraw/zinc/17/84/19/207178419.db2.gz WFVIOHICVACEGU-UHFFFAOYSA-N 0 0 374.582 2.631 50 5 FFBARN C[C@@H]1c2ccsc2CCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000007830042 207208996 /nfs/dbraw/zinc/20/89/96/207208996.db2.gz ZREOGAHILSXRSR-GFCCVEGCSA-N 0 0 373.434 2.922 50 5 FFBARN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCCCn1cnc2ccccc21 ZINC000008174521 207222249 /nfs/dbraw/zinc/22/22/49/207222249.db2.gz ODISWGWQNMEYCZ-UHFFFAOYSA-N 0 0 367.409 2.831 50 5 FFBARN O=C(CCc1nc2ccccc2c(=O)[nH]1)OCc1cccc([N+](=O)[O-])c1 ZINC000008216247 207222863 /nfs/dbraw/zinc/22/28/63/207222863.db2.gz YRZPAVJPYYRNGK-UHFFFAOYSA-N 0 0 353.334 2.507 50 5 FFBARN COc1ccc(/C=C/C(=O)NCCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000008286479 207227496 /nfs/dbraw/zinc/22/74/96/207227496.db2.gz DGKHNIFXPPOBBU-JXMROGBWSA-N 0 0 369.377 2.762 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000008782330 207249334 /nfs/dbraw/zinc/24/93/34/207249334.db2.gz AQWDCYWJRRZNPH-GFCCVEGCSA-N 0 0 361.398 2.723 50 5 FFBARN O=C(Nc1ccc(-c2nn3cnnc3s2)cc1)c1ccc([N+](=O)[O-])o1 ZINC000009427062 207271015 /nfs/dbraw/zinc/27/10/15/207271015.db2.gz TXUVNEXLVYXNTI-UHFFFAOYSA-N 0 0 356.323 2.606 50 5 FFBARN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1cc(Cl)cc2c1OCOC2 ZINC000009482165 207274330 /nfs/dbraw/zinc/27/43/30/207274330.db2.gz KZDLCGYDHVNKDC-UHFFFAOYSA-N 0 0 374.736 2.911 50 5 FFBARN COc1ccc2[nH]c(=O)c(CN(C)C(=O)c3ccc([N+](=O)[O-])cc3)cc2c1 ZINC000009304029 207264870 /nfs/dbraw/zinc/26/48/70/207264870.db2.gz PEVLPTOELYNAJX-UHFFFAOYSA-N 0 0 367.361 2.717 50 5 FFBARN O=C(CCCn1cnc2ccccc2c1=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000011867221 207327318 /nfs/dbraw/zinc/32/73/18/207327318.db2.gz GDGCAGDMYGMBBK-UHFFFAOYSA-N 0 0 352.350 2.724 50 5 FFBARN NC(=O)c1ccc(COC(=O)Cc2cccc3cccnc32)c([N+](=O)[O-])c1 ZINC000014151588 207505817 /nfs/dbraw/zinc/50/58/17/207505817.db2.gz AHZJAQDFTICCFM-UHFFFAOYSA-N 0 0 365.345 2.528 50 5 FFBARN O=C(NCCc1c[nH]c2ccccc12)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000015514543 207553814 /nfs/dbraw/zinc/55/38/14/207553814.db2.gz WKPCUTZLWXYSNU-UHFFFAOYSA-N 0 0 367.361 2.820 50 5 FFBARN COC(=O)c1cccc2c1CCCN2C(=O)COc1ccccc1[N+](=O)[O-] ZINC000025189641 207889386 /nfs/dbraw/zinc/88/93/86/207889386.db2.gz RPZFLTULCGNCMA-UHFFFAOYSA-N 0 0 370.361 2.740 50 5 FFBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCCNC(=O)c1ccco1 ZINC000025831992 207903818 /nfs/dbraw/zinc/90/38/18/207903818.db2.gz SKBSZNNGXIGQKA-ZDUSSCGKSA-N 0 0 359.382 2.917 50 5 FFBARN Cc1cc(=O)c(C(=O)OCc2cccc([N+](=O)[O-])c2)nn1-c1ccccc1 ZINC000025849340 207904031 /nfs/dbraw/zinc/90/40/31/207904031.db2.gz LQHRUFJTGUAFKB-UHFFFAOYSA-N 0 0 365.345 2.806 50 5 FFBARN O=C(Nc1ccccc1[N+](=O)[O-])N1CCN(C(=O)c2cccs2)CC1 ZINC000032721133 208037085 /nfs/dbraw/zinc/03/70/85/208037085.db2.gz OZIXDSZJQFOGBW-UHFFFAOYSA-N 0 0 360.395 2.646 50 5 FFBARN C[C@H](Oc1ccccc1Cl)C(=O)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000032795472 208042657 /nfs/dbraw/zinc/04/26/57/208042657.db2.gz PTGSXWLKPLXZLO-NHYWBVRUSA-N 0 0 364.785 2.865 50 5 FFBARN Cc1ccccc1Cn1cnc2c(cnn2-c2ccc([N+](=O)[O-])cc2)c1=O ZINC000032801747 208045377 /nfs/dbraw/zinc/04/53/77/208045377.db2.gz IDATYNNPLMSUHE-UHFFFAOYSA-N 0 0 361.361 2.847 50 5 FFBARN Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000040089919 208226342 /nfs/dbraw/zinc/22/63/42/208226342.db2.gz GTGXXRZQOKUBBH-CQSZACIVSA-N 0 0 360.414 2.770 50 5 FFBARN Cc1cccc(C(=O)N[C@@H](C(=O)N2CCCC2)c2ccccc2)c1[N+](=O)[O-] ZINC000040146355 208235432 /nfs/dbraw/zinc/23/54/32/208235432.db2.gz SNSQOQYHSKABRI-QGZVFWFLSA-N 0 0 367.405 2.997 50 5 FFBARN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ncn(Cc2ccccc2)n1 ZINC000040155068 208238854 /nfs/dbraw/zinc/23/88/54/208238854.db2.gz OGMYTJPBBNTHTN-UHFFFAOYSA-N 0 0 369.406 2.965 50 5 FFBARN Cc1ccc([C@@H](O)CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000041467938 208285543 /nfs/dbraw/zinc/28/55/43/208285543.db2.gz CVLLEUBXKBBBOS-IBGZPJMESA-N 0 0 369.421 2.967 50 5 FFBARN C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CCOc2cccc(F)c2)C1=O ZINC000041702212 208285914 /nfs/dbraw/zinc/28/59/14/208285914.db2.gz AGQOARXMSCEVGG-GOSISDBHSA-N 0 0 373.340 2.580 50 5 FFBARN O=C(Cc1ccc([N+](=O)[O-])cc1)NCCc1cc(F)cc2c1OCOC2 ZINC000057267469 208500387 /nfs/dbraw/zinc/50/03/87/208500387.db2.gz WMVATEFMUORHFB-UHFFFAOYSA-N 0 0 360.341 2.502 50 5 FFBARN COC(=O)[C@@H]1c2ccccc2CCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000095404775 209049642 /nfs/dbraw/zinc/04/96/42/209049642.db2.gz UQGIPMSRDJABHI-KRWDZBQOSA-N 0 0 354.362 2.816 50 5 FFBARN Cc1[nH]c(CN(C)C(=O)NC[C@@H]2CCCO2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000095456166 209052531 /nfs/dbraw/zinc/05/25/31/209052531.db2.gz UMJBZQYJFSYICD-HNNXBMFYSA-N 0 0 373.413 2.614 50 5 FFBARN CC(C)(C)c1cn2nc(N3CCc4ncc([N+](=O)[O-])cc4C3)sc2n1 ZINC000095941743 209088627 /nfs/dbraw/zinc/08/86/27/209088627.db2.gz NPHKZIUVPIXEID-UHFFFAOYSA-N 0 0 358.427 2.954 50 5 FFBARN O=C(Nc1ccccc1CC[N+](=O)[O-])N1CCN(c2ccccc2)CC1 ZINC000001403005 132381813 /nfs/dbraw/zinc/38/18/13/132381813.db2.gz PVFDVQDSCQPENE-UHFFFAOYSA-N 0 0 354.410 2.860 50 5 FFBARN O=[N+]([O-])c1ccc(COc2nc3ccccc3nc2N2CCOCC2)cc1 ZINC000003352239 132385129 /nfs/dbraw/zinc/38/51/29/132385129.db2.gz NYTNFAZPNKYXHY-UHFFFAOYSA-N 0 0 366.377 2.954 50 5 FFBARN Cc1ccc(Nc2nc(N3C[C@@H](C)O[C@H](C)C3)nc(N)c2[N+](=O)[O-])cc1C ZINC000004306086 132386676 /nfs/dbraw/zinc/38/66/76/132386676.db2.gz LTTZAUJAACBVAQ-CHWSQXEVSA-N 0 0 372.429 2.941 50 5 FFBARN Cc1ccc(CCCC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000044499275 136121700 /nfs/dbraw/zinc/12/17/00/136121700.db2.gz ZLMIBGMPQQVPLU-UHFFFAOYSA-N 0 0 368.437 2.970 50 5 FFBARN O=[N+]([O-])c1ccc(N2CCN(Cc3cc(F)cc4c3OCOC4)CC2)cc1 ZINC000052658602 136124533 /nfs/dbraw/zinc/12/45/33/136124533.db2.gz HOPLHGHUTSGSHA-UHFFFAOYSA-N 0 0 373.384 2.923 50 5 FFBARN O=C(COC(=O)c1ccc(O)cc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000005694367 506454797 /nfs/dbraw/zinc/45/47/97/506454797.db2.gz YONLRCCECQEEHX-UHFFFAOYSA-N 0 0 350.714 2.749 50 5 FFBARN CCn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000001002313 506242351 /nfs/dbraw/zinc/24/23/51/506242351.db2.gz AQABNQGRJQHTGF-UHFFFAOYSA-N 0 0 371.397 2.690 50 5 FFBARN CCNS(=O)(=O)c1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000001120431 506250155 /nfs/dbraw/zinc/25/01/55/506250155.db2.gz DBFUMXPRHSSCAB-UHFFFAOYSA-N 0 0 364.383 2.537 50 5 FFBARN COc1ccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000001176046 506254496 /nfs/dbraw/zinc/25/44/96/506254496.db2.gz CRVJETNIKIGIGZ-UHFFFAOYSA-N 0 0 361.379 2.739 50 5 FFBARN O=C(c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCOCCOCCO2 ZINC000002250484 506275524 /nfs/dbraw/zinc/27/55/24/506275524.db2.gz MRHDJOZTJZLBJE-UHFFFAOYSA-N 0 0 373.361 2.630 50 5 FFBARN COc1cccc(NC(=O)[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000002871469 506298762 /nfs/dbraw/zinc/29/87/62/506298762.db2.gz MWJNXRLNVYYGTM-GFCCVEGCSA-N 0 0 355.350 2.595 50 5 FFBARN Cc1cc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)n(-c2ccccc2)n1 ZINC000003197885 506313738 /nfs/dbraw/zinc/31/37/38/506313738.db2.gz HCWVVJOJHLQQNW-UHFFFAOYSA-N 0 0 359.363 2.857 50 5 FFBARN O=C(OCc1cc(=O)n2c3ccccc3sc2n1)c1ccc([N+](=O)[O-])o1 ZINC000003416129 506329197 /nfs/dbraw/zinc/32/91/97/506329197.db2.gz NYZBINAOPVGBOY-UHFFFAOYSA-N 0 0 371.330 2.767 50 5 FFBARN C[C@H](Oc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000003441569 506330866 /nfs/dbraw/zinc/33/08/66/506330866.db2.gz DCLCTUKJTBRDJZ-VIFPVBQESA-N 0 0 363.757 2.753 50 5 FFBARN CC(=O)Nc1cccc(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)c1 ZINC000003461476 506333098 /nfs/dbraw/zinc/33/30/98/506333098.db2.gz HLHXXMRGACKXGQ-UHFFFAOYSA-N 0 0 372.333 2.777 50 5 FFBARN Cc1c(Nc2ccc([N+](=O)[O-])c3nonc32)c(=O)n(-c2ccccc2)n1C ZINC000003996201 506353044 /nfs/dbraw/zinc/35/30/44/506353044.db2.gz FBRDXTDTENFTQZ-UHFFFAOYSA-N 0 0 366.337 2.672 50 5 FFBARN CNc1cc(N2CCN(C(=O)c3ccccc3F)CC2)ccc1[N+](=O)[O-] ZINC000004703588 506390401 /nfs/dbraw/zinc/39/04/01/506390401.db2.gz NVSYVTQTDZZECR-UHFFFAOYSA-N 0 0 358.373 2.738 50 5 FFBARN O=C(Nc1cccc(-c2ccc3nncn3n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000005168566 506425262 /nfs/dbraw/zinc/42/52/62/506425262.db2.gz HKPAZNIBQCODKR-UHFFFAOYSA-N 0 0 360.333 2.952 50 5 FFBARN O=C(NC1(c2ccccc2)CCC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000040015884 506457678 /nfs/dbraw/zinc/45/76/78/506457678.db2.gz WLUQMHRURQGBKW-UHFFFAOYSA-N 0 0 363.377 2.985 50 5 FFBARN Cc1cccc2sc(NC(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)nc21 ZINC000006868264 506514176 /nfs/dbraw/zinc/51/41/76/506514176.db2.gz FFPJLASLNYTYSX-UHFFFAOYSA-N 0 0 370.390 2.881 50 5 FFBARN Cc1c(C(=O)NC[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000008982035 506675790 /nfs/dbraw/zinc/67/57/90/506675790.db2.gz RAUZEVDLSNADAZ-ZDUSSCGKSA-N 0 0 371.368 2.825 50 5 FFBARN COc1ccc(OC)c(NC(=O)/C=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000009691545 506708905 /nfs/dbraw/zinc/70/89/05/506708905.db2.gz QIOZAEBTIKJCIZ-ZZXKWVIFSA-N 0 0 372.333 2.993 50 5 FFBARN CCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000010256051 506734575 /nfs/dbraw/zinc/73/45/75/506734575.db2.gz YWNNLKDIXBISSD-INIZCTEOSA-N 0 0 373.796 2.956 50 5 FFBARN CCn1c2cc3c(cc2s/c1=N/C(=O)c1ccc([N+](=O)[O-])o1)OCO3 ZINC000012080595 506813641 /nfs/dbraw/zinc/81/36/41/506813641.db2.gz NNOMIWYOVQRHPZ-FOCLMDBBSA-N 0 0 361.335 2.694 50 5 FFBARN CC(C)n1ncc2cc(NC(=O)COc3ccccc3[N+](=O)[O-])cnc21 ZINC000012770510 506898345 /nfs/dbraw/zinc/89/83/45/506898345.db2.gz IPRIZJGLHGUWHD-UHFFFAOYSA-N 0 0 355.354 2.938 50 5 FFBARN C[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000014215489 506980112 /nfs/dbraw/zinc/98/01/12/506980112.db2.gz SKNHVKKKWCAASB-LBPRGKRZSA-N 0 0 358.350 2.622 50 5 FFBARN Cc1cc(C)c(NC(=O)CSc2nc(C)c(C)c(=O)[nH]2)c([N+](=O)[O-])c1 ZINC000014943629 507007148 /nfs/dbraw/zinc/00/71/48/507007148.db2.gz CXLPNDLYRQZJLD-UHFFFAOYSA-N 0 0 362.411 2.643 50 5 FFBARN O=C(NCc1ccc(CN2CCOCC2)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000024237494 507400442 /nfs/dbraw/zinc/40/04/42/507400442.db2.gz FNWXOMMWZILXCA-UHFFFAOYSA-N 0 0 370.409 2.749 50 5 FFBARN Cn1ccnc1C(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000024596462 507423243 /nfs/dbraw/zinc/42/32/43/507423243.db2.gz XSIOTPJWZINQMK-UHFFFAOYSA-N 0 0 350.334 2.812 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000024659933 507427243 /nfs/dbraw/zinc/42/72/43/507427243.db2.gz XHYUMJBVBBMQMU-CYBMUJFWSA-N 0 0 358.350 2.515 50 5 FFBARN O=C(CCCn1cnc2ccccc2c1=O)Nc1cccc([N+](=O)[O-])c1 ZINC000024699328 507432141 /nfs/dbraw/zinc/43/21/41/507432141.db2.gz SNIOJWZZIBGMGC-UHFFFAOYSA-N 0 0 352.350 2.724 50 5 FFBARN CCC(CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)N1CCOCC1 ZINC000024828870 507442125 /nfs/dbraw/zinc/44/21/25/507442125.db2.gz NTRDCHNOQOADSC-ZDUSSCGKSA-N 0 0 355.460 2.523 50 5 FFBARN CCc1c(C(=O)N(C)Cc2cc(C)on2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000025139177 507470386 /nfs/dbraw/zinc/47/03/86/507470386.db2.gz BZZPWQYHLLUBFM-UHFFFAOYSA-N 0 0 369.381 2.912 50 5 FFBARN COc1ccc(C(=O)N2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)cc1 ZINC000029526476 507781447 /nfs/dbraw/zinc/78/14/47/507781447.db2.gz QYASCNICDOLONL-UHFFFAOYSA-N 0 0 359.357 2.705 50 5 FFBARN CCc1nc([C@@H](C)NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)cs1 ZINC000078616329 507889767 /nfs/dbraw/zinc/88/97/67/507889767.db2.gz RTFNSFHTANTVFU-SECBINFHSA-N 0 0 351.432 2.695 50 5 FFBARN O=C(c1ccccc1)c1ccc(-n2ccc(=O)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000078968075 507920470 /nfs/dbraw/zinc/92/04/70/507920470.db2.gz VSGXKLXVSCFAAZ-UHFFFAOYSA-N 0 0 365.301 2.885 50 5 FFBARN COc1cc2s/c(=N\C(=O)c3ccccc3[N+](=O)[O-])n(C)c2cc1OC ZINC000101035720 508240907 /nfs/dbraw/zinc/24/09/07/508240907.db2.gz JJOBOOANXNUUNJ-ZCXUNETKSA-N 0 0 373.390 2.906 50 5 FFBARN O=C1[C@@H]2ON=C(c3ccccc3Cl)C2=C(O)N1c1cccc([N+](=O)[O-])c1 ZINC000103539520 508317806 /nfs/dbraw/zinc/31/78/06/508317806.db2.gz VFNIMOBWDOSCKR-UKRRQHHQSA-N 0 0 371.736 2.541 50 5 FFBARN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1occc1Br ZINC000225528629 509376295 /nfs/dbraw/zinc/37/62/95/509376295.db2.gz LFIADABHGRWISS-UHFFFAOYSA-N 0 0 365.143 2.757 50 5 FFBARN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H](c1cccs1)C1CCCC1 ZINC000084436922 571085798 /nfs/dbraw/zinc/08/57/98/571085798.db2.gz HYEFCHKYCAFPFC-QGZVFWFLSA-N 0 0 361.423 2.866 50 5 FFBARN CC(=O)Nc1cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)ccc1C ZINC000001122416 219374052 /nfs/dbraw/zinc/37/40/52/219374052.db2.gz BIPDNXLDNRZSSG-UHFFFAOYSA-N 0 0 356.334 2.901 50 5 FFBARN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000004496953 209422127 /nfs/dbraw/zinc/42/21/27/209422127.db2.gz QYLZPDKKVYRBBP-MEODZPNASA-N 0 0 351.362 2.530 50 5 FFBARN Cc1ccc(N2C[C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)CC2=O)cc1C ZINC000004497024 209421494 /nfs/dbraw/zinc/42/14/94/209421494.db2.gz ORGHUUTUJNJRGL-HNNXBMFYSA-N 0 0 353.378 2.747 50 5 FFBARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1 ZINC000100036965 209207922 /nfs/dbraw/zinc/20/79/22/209207922.db2.gz ITAOFSSOVNYZCS-UHFFFAOYSA-N 0 0 374.393 2.956 50 5 FFBARN Cc1ccccc1-c1nnc2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n21 ZINC000001802648 206895669 /nfs/dbraw/zinc/89/56/69/206895669.db2.gz HCUMOOYUARLAOX-GDNBJRDFSA-N 0 0 364.386 2.582 50 5 FFBARN COc1ccc(C2=N/C(=C\c3cccc([N+](=O)[O-])c3)C(=O)O2)cc1OC ZINC000004509296 207023771 /nfs/dbraw/zinc/02/37/71/207023771.db2.gz MLLFXFYZQBJIGV-ZROIWOOFSA-N 0 0 354.318 2.957 50 5 FFBARN COC(=O)Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)Cc1ccccc1 ZINC000004548833 207027132 /nfs/dbraw/zinc/02/71/32/207027132.db2.gz HIZSBAYWCGPICD-UHFFFAOYSA-N 0 0 350.352 2.747 50 5 FFBARN CN1C2=C(C(=O)N(c3cccc([N+](=O)[O-])c3)C2)[C@H](c2ccccc2)NC1=O ZINC000004776430 207048414 /nfs/dbraw/zinc/04/84/14/207048414.db2.gz AHXNEKPTTGPJSV-KRWDZBQOSA-N 0 0 364.361 2.592 50 5 FFBARN C[C@@H](OC(=O)c1n[nH]c2ccccc21)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000004824136 207053459 /nfs/dbraw/zinc/05/34/59/207053459.db2.gz ZRLXKBZYHIGTPK-SNVBAGLBSA-N 0 0 354.322 2.655 50 5 FFBARN O=C(Nc1ccccc1[N+](=O)[O-])c1cccn(OCc2ccccc2)c1=O ZINC000005054747 207076436 /nfs/dbraw/zinc/07/64/36/207076436.db2.gz HWKHTWPSGPPIKE-UHFFFAOYSA-N 0 0 365.345 2.638 50 5 FFBARN Cc1cccc(NC(=O)c2cccn(Cc3cccc([N+](=O)[O-])c3)c2=O)n1 ZINC000005270788 207091276 /nfs/dbraw/zinc/09/12/76/207091276.db2.gz QQULQTXKKHVGGC-UHFFFAOYSA-N 0 0 364.361 2.761 50 5 FFBARN COc1cc(NC(=O)COC(=O)Cc2ccsc2)c(C)cc1[N+](=O)[O-] ZINC000005679332 207112796 /nfs/dbraw/zinc/11/27/96/207112796.db2.gz CCJDLENRHNVWJY-UHFFFAOYSA-N 0 0 364.379 2.698 50 5 FFBARN C[C@@H](OC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000005785683 207116554 /nfs/dbraw/zinc/11/65/54/207116554.db2.gz SPJWEGXSEYKINW-HABKJSAYSA-N 0 0 374.393 2.860 50 5 FFBARN COc1ccc(O[C@H](C(=O)N2CCOCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000006846900 207171940 /nfs/dbraw/zinc/17/19/40/207171940.db2.gz JOULWPZMCBMWMR-SFHVURJKSA-N 0 0 372.377 2.582 50 5 FFBARN C[C@@H]1CCCCN1C(=O)COc1cc(N2CCCC2=O)ccc1[N+](=O)[O-] ZINC000008750028 207245931 /nfs/dbraw/zinc/24/59/31/207245931.db2.gz ULPBOUMMCQNKGD-CYBMUJFWSA-N 0 0 361.398 2.501 50 5 FFBARN Cc1nn(CC(=O)NCCSCc2ccccc2F)c(C)c1[N+](=O)[O-] ZINC000008776694 207248869 /nfs/dbraw/zinc/24/88/69/207248869.db2.gz WBUYHYLHZVCFMV-UHFFFAOYSA-N 0 0 366.418 2.597 50 5 FFBARN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCC1(c2ccccc2)CC1 ZINC000008923820 207251039 /nfs/dbraw/zinc/25/10/39/207251039.db2.gz KXKVACGHALGWDJ-UHFFFAOYSA-N 0 0 367.405 2.563 50 5 FFBARN O=[N+]([O-])c1ccc(C2=NNC(=NCc3ccc4c(c3)OCO4)SC2)cc1 ZINC000008935716 207252687 /nfs/dbraw/zinc/25/26/87/207252687.db2.gz ZEPDGULGCQGMSK-UHFFFAOYSA-N 0 0 370.390 2.920 50 5 FFBARN COc1ccc([C@@]2(C)NC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000009479603 207272908 /nfs/dbraw/zinc/27/29/08/207272908.db2.gz BVZWNXWYYSKDDQ-GOSISDBHSA-N 0 0 355.350 2.571 50 5 FFBARN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000023383567 207843586 /nfs/dbraw/zinc/84/35/86/207843586.db2.gz NDRGXZWSFMQCIJ-FQEVSTJZSA-N 0 0 370.405 2.946 50 5 FFBARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cccc([N+](=O)[O-])c1 ZINC000030967497 208008678 /nfs/dbraw/zinc/00/86/78/208008678.db2.gz SDAXPMKVYFUQHI-UHFFFAOYSA-N 0 0 371.393 2.827 50 5 FFBARN COc1ccc(NC(=O)N(C)Cc2ccc(O)c(OC)c2)c([N+](=O)[O-])c1 ZINC000032779467 208043958 /nfs/dbraw/zinc/04/39/58/208043958.db2.gz BAFFHAYZFYALKK-UHFFFAOYSA-N 0 0 361.354 2.982 50 5 FFBARN CN(CCOc1ccccc1)C(=O)CCn1ncc2ccc([N+](=O)[O-])cc21 ZINC000032932503 208058230 /nfs/dbraw/zinc/05/82/30/208058230.db2.gz DGNJMWSLSYTXKL-UHFFFAOYSA-N 0 0 368.393 2.872 50 5 FFBARN O=C(CCc1ccccc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000032925028 208058574 /nfs/dbraw/zinc/05/85/74/208058574.db2.gz SHMDAYHWGBNCEV-UHFFFAOYSA-N 0 0 373.434 2.574 50 5 FFBARN CCc1onc(C)c1[C@@H]1CCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000033087002 208071605 /nfs/dbraw/zinc/07/16/05/208071605.db2.gz HVYRJNWHWJBWPB-ZDUSSCGKSA-N 0 0 365.411 2.979 50 5 FFBARN O=C(Cn1cc(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cn1)NC1CC1 ZINC000052487505 208437983 /nfs/dbraw/zinc/43/79/83/208437983.db2.gz ZNVIMKYYMGLGBA-UHFFFAOYSA-N 0 0 369.303 2.832 50 5 FFBARN O=C(CCc1c[nH]c2ccccc12)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000095464911 209055290 /nfs/dbraw/zinc/05/52/90/209055290.db2.gz DWBUXHUSZPQEDL-UHFFFAOYSA-N 0 0 350.378 2.989 50 5 FFBARN Cc1c(F)cc(S(=O)(=O)N2CCSc3ccncc32)cc1[N+](=O)[O-] ZINC000097097220 132227600 /nfs/dbraw/zinc/22/76/00/132227600.db2.gz BKCISTFQDHFNQR-UHFFFAOYSA-N 0 0 369.399 2.738 50 5 FFBARN O=C(NCCc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000004895660 132255229 /nfs/dbraw/zinc/25/52/29/132255229.db2.gz QOTIIHIWQPRVJK-UHFFFAOYSA-N 0 0 373.384 2.543 50 5 FFBARN CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000009154725 132844911 /nfs/dbraw/zinc/84/49/11/132844911.db2.gz LPGXFFLAVFJHTM-UHFFFAOYSA-N 0 0 361.423 2.765 50 5 FFBARN C[C@@H](NC(=O)c1ccc(N2CCN(C)CC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000012555155 132860415 /nfs/dbraw/zinc/86/04/15/132860415.db2.gz LQJLZRDOQKSJQQ-OAHLLOKOSA-N 0 0 368.437 2.838 50 5 FFBARN COC(=O)c1ccc(Sc2nnnn2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000000715378 506229789 /nfs/dbraw/zinc/22/97/89/506229789.db2.gz JHIIXCVQYBYCNN-UHFFFAOYSA-N 0 0 357.351 2.508 50 5 FFBARN Cn1c2c(cn3c2c(Cc2ccccc2)nc2ccccc23)c(=O)n(C)c1=O ZINC000000804794 506233819 /nfs/dbraw/zinc/23/38/19/506233819.db2.gz PDMVYOPBHGRFDU-UHFFFAOYSA-N 0 0 370.412 2.629 50 5 FFBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)n1nnc(-c2ccccc2)n1 ZINC000000976195 506242481 /nfs/dbraw/zinc/24/24/81/506242481.db2.gz USXQMBHEOUYAAL-GFCCVEGCSA-N 0 0 352.354 2.756 50 5 FFBARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000001121206 506249937 /nfs/dbraw/zinc/24/99/37/506249937.db2.gz GCDNKOMKMUVTPZ-UHFFFAOYSA-N 0 0 374.349 2.580 50 5 FFBARN COc1ccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000001174204 506252151 /nfs/dbraw/zinc/25/21/51/506252151.db2.gz BTWVFJHSSTZLQY-UHFFFAOYSA-N 0 0 361.379 2.739 50 5 FFBARN CC(C)CNC(=O)c1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1 ZINC000001145829 506252544 /nfs/dbraw/zinc/25/25/44/506252544.db2.gz UUYCYQRUEGTFJD-UHFFFAOYSA-N 0 0 371.393 2.998 50 5 FFBARN O=C(Cc1ccc([N+](=O)[O-])cc1)N1NC2=C(CCCC2)[C@]1(O)C(F)(F)F ZINC000001212396 506256956 /nfs/dbraw/zinc/25/69/56/506256956.db2.gz KTEOIVMFGWSIHU-WFASDCNBSA-N 0 0 371.315 2.777 50 5 FFBARN O=[N+]([O-])c1ccc([C@H](O)CN2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000001307399 506258842 /nfs/dbraw/zinc/25/88/42/506258842.db2.gz OPZYKJXPYQSPLO-HXRGIAOBSA-N 0 0 367.449 2.959 50 5 FFBARN Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1ccc(Br)cc1F ZINC000001428826 506262940 /nfs/dbraw/zinc/26/29/40/506262940.db2.gz AAHNEBGOFGLWFO-UHFFFAOYSA-N 0 0 357.139 2.640 50 5 FFBARN Cc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C(N)=O)c1C ZINC000002790485 506293040 /nfs/dbraw/zinc/29/30/40/506293040.db2.gz CAGDPKAGEFHCFD-UHFFFAOYSA-N 0 0 364.339 2.533 50 5 FFBARN Cc1nc(NC(=O)c2ccc([N+](=O)[O-])o2)ccc1I ZINC000002857611 506297839 /nfs/dbraw/zinc/29/78/39/506297839.db2.gz BMGQUDYIWNBFAL-UHFFFAOYSA-N 0 0 373.106 2.748 50 5 FFBARN COc1ccc(C(=O)OCC(=O)Nc2ccccc2C(C)=O)cc1[N+](=O)[O-] ZINC000003442129 506330570 /nfs/dbraw/zinc/33/05/70/506330570.db2.gz QWLFYQDUDMMMBE-UHFFFAOYSA-N 0 0 372.333 2.602 50 5 FFBARN Cc1ccc(CNC(=O)COC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000003414600 506329598 /nfs/dbraw/zinc/32/95/98/506329598.db2.gz ZZRJQFFWJBUKBN-ZHACJKMWSA-N 0 0 354.362 2.776 50 5 FFBARN O=C(NCCc1ccc2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1Cl ZINC000003432036 506331329 /nfs/dbraw/zinc/33/13/29/506331329.db2.gz HAEOVFBNCZMNII-UHFFFAOYSA-N 0 0 362.769 2.992 50 5 FFBARN O=C(COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000003505110 506338003 /nfs/dbraw/zinc/33/80/03/506338003.db2.gz JFJKHVMUXIUPRG-UHFFFAOYSA-N 0 0 374.780 2.990 50 5 FFBARN COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c([N+](=O)[O-])c1 ZINC000003960317 506353002 /nfs/dbraw/zinc/35/30/02/506353002.db2.gz CVHKFMZCEACBLK-UHFFFAOYSA-N 0 0 362.338 2.882 50 5 FFBARN C[C@@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccco1 ZINC000004219390 506365822 /nfs/dbraw/zinc/36/58/22/506365822.db2.gz VLJVMVYVIJDSBT-LLVKDONJSA-N 0 0 364.379 2.528 50 5 FFBARN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000004497458 506379145 /nfs/dbraw/zinc/37/91/45/506379145.db2.gz XEFBSKFOHDDEDX-ICSVTGKESA-N 0 0 369.352 2.669 50 5 FFBARN Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)c1 ZINC000004998213 506412452 /nfs/dbraw/zinc/41/24/52/506412452.db2.gz IVCCGMNRWPGBMX-UHFFFAOYSA-N 0 0 354.410 2.907 50 5 FFBARN C[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])N1CCc2sccc2C1 ZINC000040074369 506462901 /nfs/dbraw/zinc/46/29/01/506462901.db2.gz KLDSQJWSAZSEIY-CYBMUJFWSA-N 0 0 359.451 2.762 50 5 FFBARN Cc1c(C(=O)OCC(=O)NCCSc2ccccc2)cccc1[N+](=O)[O-] ZINC000007816377 506592778 /nfs/dbraw/zinc/59/27/78/506592778.db2.gz IEMXOJIPGCYSQB-UHFFFAOYSA-N 0 0 374.418 2.969 50 5 FFBARN CC(=O)c1ccccc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000008395611 506647428 /nfs/dbraw/zinc/64/74/28/506647428.db2.gz HFFQWYLNHXYAPE-UHFFFAOYSA-N 0 0 369.377 2.886 50 5 FFBARN O=C(Nc1nc2c(s1)CCC2)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000009368306 506693363 /nfs/dbraw/zinc/69/33/63/506693363.db2.gz XSPWBDZUKARBOI-UHFFFAOYSA-N 0 0 374.422 2.629 50 5 FFBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCn1cnc2ccccc21 ZINC000012553980 506878772 /nfs/dbraw/zinc/87/87/72/506878772.db2.gz HDSJWBZCJPZLKP-UHFFFAOYSA-N 0 0 374.422 2.622 50 5 FFBARN O=C(CN1CCC([C@@H](O)c2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000012745630 506893853 /nfs/dbraw/zinc/89/38/53/506893853.db2.gz RBIAPBJCAPVDGO-FQEVSTJZSA-N 0 0 369.421 2.979 50 5 FFBARN COc1cc(C(=O)N2CCO[C@H](c3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000012872047 506909545 /nfs/dbraw/zinc/90/95/45/506909545.db2.gz HACKXOMHANMNDH-SFHVURJKSA-N 0 0 372.377 2.826 50 5 FFBARN O=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000012983267 506921633 /nfs/dbraw/zinc/92/16/33/506921633.db2.gz JAAWEVYXTXXRAP-OAHLLOKOSA-N 0 0 369.377 2.756 50 5 FFBARN CCn1ccc2c(OCC(=O)Nc3ccc([N+](=O)[O-])cc3)cccc2c1=O ZINC000015882450 507065152 /nfs/dbraw/zinc/06/51/52/507065152.db2.gz VYPGJRXDHTVMDN-UHFFFAOYSA-N 0 0 367.361 2.947 50 5 FFBARN CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)O[C@@H]1COc1cccc(C)c1 ZINC000021092375 507244170 /nfs/dbraw/zinc/24/41/70/507244170.db2.gz GGZNDEPKFUXQAA-QGZVFWFLSA-N 0 0 355.350 2.849 50 5 FFBARN COCCOc1cc([N+](=O)[O-])c(C(=O)NCCc2ccccc2)cc1OC ZINC000023053439 507326758 /nfs/dbraw/zinc/32/67/58/507326758.db2.gz JMRYJYZQVKEVTE-UHFFFAOYSA-N 0 0 374.393 2.601 50 5 FFBARN O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000023106150 507329525 /nfs/dbraw/zinc/32/95/25/507329525.db2.gz KRUFHHHMHPBVPB-SFHVURJKSA-N 0 0 373.384 2.537 50 5 FFBARN CCC(CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)N1CCOCC1 ZINC000024828869 507442089 /nfs/dbraw/zinc/44/20/89/507442089.db2.gz NTRDCHNOQOADSC-CYBMUJFWSA-N 0 0 355.460 2.523 50 5 FFBARN O=C(CNc1ccc([N+](=O)[O-])cn1)Nc1ccc(Br)cc1 ZINC000048356622 507507034 /nfs/dbraw/zinc/50/70/34/507507034.db2.gz WAVIOJGYQHFBJL-UHFFFAOYSA-N 0 0 351.160 2.803 50 5 FFBARN O=C(NCc1ccnc(-n2ccnc2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000062581443 507676357 /nfs/dbraw/zinc/67/63/57/507676357.db2.gz VNYONRLWONVLEL-UHFFFAOYSA-N 0 0 357.757 2.759 50 5 FFBARN O=[N+]([O-])c1ccc(N2CCN(Cc3nc(-c4ccco4)no3)CC2)cc1 ZINC000030539361 507810133 /nfs/dbraw/zinc/81/01/33/507810133.db2.gz XSTIBLIJVULEKQ-UHFFFAOYSA-N 0 0 355.354 2.560 50 5 FFBARN Nc1nc2oc3ccccc3c(=O)c2cc1-c1nc2ccccc2c(=O)[nH]1 ZINC000094986178 508172096 /nfs/dbraw/zinc/17/20/96/508172096.db2.gz PKVQBQROZUXJSC-UHFFFAOYSA-N 0 0 356.341 2.827 50 5 FFBARN CC1=C(C(=O)O[C@@H]2CCC[C@H]2C)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 ZINC000245231336 520826774 /nfs/dbraw/zinc/82/67/74/520826774.db2.gz BQRURLIZQQYDGS-HQQWDMGQSA-N 0 0 359.382 2.955 50 5 FFBARN COC(=O)c1cccc([N+](=O)[O-])c1CN1CCN(c2ccc(F)cc2)CC1 ZINC000059846825 536814171 /nfs/dbraw/zinc/81/41/71/536814171.db2.gz AUSDNLSXUAWTAE-UHFFFAOYSA-N 0 0 373.384 2.843 50 5 FFBARN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H](c1cccs1)C1CCCC1 ZINC000084436924 571085783 /nfs/dbraw/zinc/08/57/83/571085783.db2.gz HYEFCHKYCAFPFC-KRWDZBQOSA-N 0 0 361.423 2.866 50 5 FFBARN CCc1nn(C)c(NCCNc2ncccc2C(F)(F)F)c1[N+](=O)[O-] ZINC000092828931 571199012 /nfs/dbraw/zinc/19/90/12/571199012.db2.gz HRCVZCHUDIAHCQ-UHFFFAOYSA-N 0 0 358.324 2.829 50 5 FFBARN O=C(/C=C\c1ccc(-c2ccccc2[N+](=O)[O-])s1)NC[C@@H]1COCCO1 ZINC000055846778 989162517 /nfs/dbraw/zinc/16/25/17/989162517.db2.gz HVUQDSGJFLSYNO-FWPCIQOSSA-N 0 0 374.418 2.868 50 5 FFBARN COc1ccc([C@H]2c3c(c4ccccc4oc3=O)OC(N)=C2[N+](=O)[O-])cc1 ZINC000001052025 219359332 /nfs/dbraw/zinc/35/93/32/219359332.db2.gz QCYFEZFCQJBYAE-AWEZNQCLSA-N 0 0 366.329 2.730 50 5 biogenic FFBARN Cc1ccc(S(=O)(=O)NCCNc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000004689119 219595885 /nfs/dbraw/zinc/59/58/85/219595885.db2.gz IXYAZYXJWPJRIW-UHFFFAOYSA-N 0 0 369.830 2.947 50 5 FFBARN CNC(=O)c1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000012972051 209574732 /nfs/dbraw/zinc/57/47/32/209574732.db2.gz NWYQDEUTCYRHCG-UHFFFAOYSA-N 0 0 353.378 2.759 50 5 FFBARN C[C@H](OC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000007784113 209464937 /nfs/dbraw/zinc/46/49/37/209464937.db2.gz AMEFUNNWFTYMKL-ICIURTGMSA-N 0 0 374.393 2.860 50 5 FFBARN Cc1c(NC(=O)CCCN2C(=O)c3ccccc3C2=O)cccc1[N+](=O)[O-] ZINC000007007480 209460225 /nfs/dbraw/zinc/46/02/25/209460225.db2.gz LJZGAIIFAOHSNP-UHFFFAOYSA-N 0 0 367.361 2.918 50 5 FFBARN COc1ccc(OC)c(-c2ccc(=O)n(Cc3cccc([N+](=O)[O-])c3)n2)c1 ZINC000005409581 209445061 /nfs/dbraw/zinc/44/50/61/209445061.db2.gz NKMPQJQYXZDYJW-UHFFFAOYSA-N 0 0 367.361 2.884 50 5 FFBARN Nn1c(Cc2ccc([N+](=O)[O-])cc2)nc2sc3c(c2c1=O)CCCC3 ZINC000004647433 209423424 /nfs/dbraw/zinc/42/34/24/209423424.db2.gz YVSLZSXSXWSYMX-UHFFFAOYSA-N 0 0 356.407 2.550 50 5 FFBARN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000002151230 209394372 /nfs/dbraw/zinc/39/43/72/209394372.db2.gz GOCCNHJPWRWHDF-UHFFFAOYSA-N 0 0 357.391 2.823 50 5 biogenic FFBARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000049632914 209339438 /nfs/dbraw/zinc/33/94/38/209339438.db2.gz AYGOYWAIWYZKBX-OAHLLOKOSA-N 0 0 362.769 2.762 50 5 FFBARN O=C(Nc1ncc([N+](=O)[O-])s1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl ZINC000104143648 209257899 /nfs/dbraw/zinc/25/78/99/209257899.db2.gz MGRPETRMPPWKOG-UHFFFAOYSA-N 0 0 373.690 2.773 50 5 FFBARN COc1cccc(C([O-])=CC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000101354952 209223982 /nfs/dbraw/zinc/22/39/82/209223982.db2.gz CFDNRYJGWXENIR-UHFFFAOYSA-N 0 0 356.334 2.692 50 5 FFBARN Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1ccc(OC(F)(F)Cl)cc1 ZINC000001428853 206880991 /nfs/dbraw/zinc/88/09/91/206880991.db2.gz UJRMCNHDNFXAKM-UHFFFAOYSA-N 0 0 360.704 2.906 50 5 FFBARN Cc1cccc(-c2nc3s/c(=C\c4ccc([N+](=O)[O-])cc4)c(=O)n3n2)c1 ZINC000002323181 206910113 /nfs/dbraw/zinc/91/01/13/206910113.db2.gz BRTWDLQKIKGNQK-GDNBJRDFSA-N 0 0 364.386 2.582 50 5 FFBARN COC(=O)c1ccc(COC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)cc1 ZINC000003575805 206984662 /nfs/dbraw/zinc/98/46/62/206984662.db2.gz ARGVIYKUDRZLCR-UHFFFAOYSA-N 0 0 373.317 2.525 50 5 FFBARN O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(OC(F)(F)F)cc1)C2 ZINC000003821675 206991631 /nfs/dbraw/zinc/99/16/31/206991631.db2.gz ZLHZLMOSPGACSZ-NSHDSACASA-N 0 0 359.260 2.668 50 5 world FFBARN COc1ccc(NC(=O)CCCn2nc(C)c([N+](=O)[O-])c2C)c(OC)c1 ZINC000003896275 206994223 /nfs/dbraw/zinc/99/42/23/206994223.db2.gz GJFNLINQOPATRS-UHFFFAOYSA-N 0 0 362.386 2.844 50 5 FFBARN C[C@@H]1CN(C(=S)SCC(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000004290000 207010837 /nfs/dbraw/zinc/01/08/37/207010837.db2.gz KHKFASHXUMOSLQ-GHMZBOCLSA-N 0 0 354.453 2.905 50 5 FFBARN CC(C)[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C(=O)c2ccccc2C1=O ZINC000004159296 207003926 /nfs/dbraw/zinc/00/39/26/207003926.db2.gz FSHWKQUBLNVXSS-MRXNPFEDSA-N 0 0 367.361 2.854 50 5 FFBARN Cc1ccccc1-c1nnc2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n21 ZINC000004815998 207051322 /nfs/dbraw/zinc/05/13/22/207051322.db2.gz ITBAIPQIIFPTRC-GDNBJRDFSA-N 0 0 364.386 2.582 50 5 FFBARN Cc1ccc(-n2nnnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004821378 207051501 /nfs/dbraw/zinc/05/15/01/207051501.db2.gz LAEFJAKZLQOIHJ-UHFFFAOYSA-N 0 0 370.394 2.610 50 5 FFBARN COc1ccc(-n2nc([N+](=O)[O-])c(N[C@@H](C)c3ccccc3)[n+]2[O-])cc1 ZINC000004826616 207053190 /nfs/dbraw/zinc/05/31/90/207053190.db2.gz JJFAVSFXVHZLIA-LBPRGKRZSA-N 0 0 355.354 2.596 50 5 FFBARN COCCN(Cc1ccc(C)o1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000004923020 207062915 /nfs/dbraw/zinc/06/29/15/207062915.db2.gz MCGHZTWIRCKHMC-UHFFFAOYSA-N 0 0 363.326 2.693 50 5 FFBARN O=C(CSc1cccc[n+]1[O-])Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000005446040 207100457 /nfs/dbraw/zinc/10/04/57/207100457.db2.gz CLUNZLMEORKZJD-UHFFFAOYSA-N 0 0 373.312 2.978 50 5 FFBARN CC[C@H](C)Nc1nc(N)c([N+](=O)[O-])c(Nc2cc(OC)ccc2OC)n1 ZINC000005516404 207103821 /nfs/dbraw/zinc/10/38/21/207103821.db2.gz PRNSIJYOJBHTBQ-VIFPVBQESA-N 0 0 362.390 2.938 50 5 FFBARN Cc1ccc(NC(=O)COC(=O)c2n[nH]c3ccccc32)cc1[N+](=O)[O-] ZINC000006506481 207143919 /nfs/dbraw/zinc/14/39/19/207143919.db2.gz PEZJLSLXDKAQFC-UHFFFAOYSA-N 0 0 354.322 2.575 50 5 FFBARN C[C@H](OC(=O)c1ccc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1)C(N)=O ZINC000006788499 207164624 /nfs/dbraw/zinc/16/46/24/207164624.db2.gz JAPQVJVDFCWHDY-VIFPVBQESA-N 0 0 364.354 2.916 50 5 FFBARN Cc1ccc(OCCN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000006834750 207171233 /nfs/dbraw/zinc/17/12/33/207171233.db2.gz BMHBMKXXTSYIBJ-IBGZPJMESA-N 0 0 369.377 2.749 50 5 FFBARN Cc1ccccc1-c1nnn(CC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000007015633 207183672 /nfs/dbraw/zinc/18/36/72/207183672.db2.gz KIOHGIFJPCYGOA-UHFFFAOYSA-N 0 0 352.354 2.504 50 5 FFBARN COc1cc(CCNC(=O)CCc2cccs2)c([N+](=O)[O-])cc1OC ZINC000008704091 207241863 /nfs/dbraw/zinc/24/18/63/207241863.db2.gz BYNJHZBZMFSCFU-UHFFFAOYSA-N 0 0 364.423 2.965 50 5 FFBARN CCCNC(=O)CSc1nnc(Sc2ncccc2[N+](=O)[O-])s1 ZINC000008745621 207246013 /nfs/dbraw/zinc/24/60/13/207246013.db2.gz ZLFYNUXFIZVMIN-UHFFFAOYSA-N 0 0 371.469 2.611 50 5 FFBARN O=C(CCCNC(=O)c1ccsc1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000012977053 207443141 /nfs/dbraw/zinc/44/31/41/207443141.db2.gz CIKFOXWQOQGOBY-UHFFFAOYSA-N 0 0 351.359 2.944 50 5 FFBARN CC(=O)c1cc2c(cc1NC(=O)COc1cc(C)ccc1[N+](=O)[O-])OCO2 ZINC000024542721 207868986 /nfs/dbraw/zinc/86/89/86/207868986.db2.gz HUXNEUYOBDEGLI-UHFFFAOYSA-N 0 0 372.333 2.852 50 5 FFBARN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1NC1(CO)CCCC1 ZINC000079047836 208220381 /nfs/dbraw/zinc/22/03/81/208220381.db2.gz DRXIVQDOISVFGB-UHFFFAOYSA-N 0 0 368.333 2.605 50 5 FFBARN COc1ccccc1CN(CCO)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000047323470 208375328 /nfs/dbraw/zinc/37/53/28/208375328.db2.gz BQTHJLHTQYBOGC-UHFFFAOYSA-N 0 0 359.382 2.938 50 5 FFBARN O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000048331444 208399569 /nfs/dbraw/zinc/39/95/69/208399569.db2.gz JKLXBYNPXNNMMT-QZTJIDSGSA-N 0 0 362.389 2.821 50 5 FFBARN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@@H]1COc2ccccc2C1 ZINC000065488763 208682708 /nfs/dbraw/zinc/68/27/08/208682708.db2.gz SFEYTLPPIQWXCO-CQSZACIVSA-N 0 0 365.389 2.917 50 5 FFBARN CC(C)(C)NC(=O)N1CCC(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000095997017 209095279 /nfs/dbraw/zinc/09/52/79/209095279.db2.gz IQEAFOWPUVGIBW-UHFFFAOYSA-N 0 0 365.390 2.887 50 5 FFBARN COC(=O)C(C)(C)N(C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000095394048 209047162 /nfs/dbraw/zinc/04/71/62/209047162.db2.gz OFIPJZBAYZDNGU-UHFFFAOYSA-N 0 0 363.395 2.742 50 5 FFBARN O=C(NC[C@@H](O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000095451794 209051971 /nfs/dbraw/zinc/05/19/71/209051971.db2.gz BMZABUPGGHWBCL-MRXNPFEDSA-N 0 0 355.325 2.746 50 5 FFBARN COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000000834224 132378855 /nfs/dbraw/zinc/37/88/55/132378855.db2.gz IZEJKWNRMUXIST-UHFFFAOYSA-N 0 0 359.357 2.705 50 5 FFBARN COc1ccc(Nc2nc(N3CCC[C@@H](C)C3)nc(N)c2[N+](=O)[O-])cc1 ZINC000004306115 132386725 /nfs/dbraw/zinc/38/67/25/132386725.db2.gz SKSKDYDNBCQNQF-LLVKDONJSA-N 0 0 358.402 2.956 50 5 FFBARN COc1ccc(Nc2nc(N3CCC(C)CC3)nc(N)c2[N+](=O)[O-])cc1 ZINC000004306111 132386772 /nfs/dbraw/zinc/38/67/72/132386772.db2.gz VDRRIDNEFJFHSK-UHFFFAOYSA-N 0 0 358.402 2.956 50 5 FFBARN O=C(NC1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1)c1ccccc1 ZINC000011380816 132850211 /nfs/dbraw/zinc/85/02/11/132850211.db2.gz JXEDNKKVDJGPMC-UHFFFAOYSA-N 0 0 367.365 2.530 50 5 FFBARN C[C@H]1C(=O)N(c2ccc([N+](=O)[O-])cc2)CCN1C(=O)CCc1ccccc1 ZINC000037520514 132942540 /nfs/dbraw/zinc/94/25/40/132942540.db2.gz GFGSOQYZVSMQIV-HNNXBMFYSA-N 0 0 367.405 2.791 50 5 FFBARN C[C@H]1CC[C@@H](C(N)=O)CN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000042739828 136121395 /nfs/dbraw/zinc/12/13/95/136121395.db2.gz CJKMKSPUALZAPQ-XJKSGUPXSA-N 0 0 367.405 2.916 50 5 FFBARN C[C@@H](C(=O)N(C)c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000057718119 136129965 /nfs/dbraw/zinc/12/99/65/136129965.db2.gz OVLFURIZUOMSOC-INIZCTEOSA-N 0 0 368.437 2.768 50 5 FFBARN COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(OC)cc1NC(C)=O ZINC000000753072 506229863 /nfs/dbraw/zinc/22/98/63/506229863.db2.gz IMKRITVNVYHLOJ-UHFFFAOYSA-N 0 0 359.338 2.823 50 5 FFBARN CC(=O)N(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1ccc(Cl)cc1 ZINC000000711485 506229965 /nfs/dbraw/zinc/22/99/65/506229965.db2.gz KOZQCBQMMNVGII-UHFFFAOYSA-N 0 0 373.752 2.855 50 5 FFBARN O=C(Oc1cccc(C(=S)N2CCOCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000000866316 506236770 /nfs/dbraw/zinc/23/67/70/506236770.db2.gz UQEXAMAGTUGRSM-UHFFFAOYSA-N 0 0 372.402 2.822 50 5 FFBARN COc1ccc(NC(=O)c2nc(C)n(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000001397428 506260402 /nfs/dbraw/zinc/26/04/02/506260402.db2.gz FJVBGQNYCHZKSI-UHFFFAOYSA-N 0 0 353.338 2.745 50 5 FFBARN COc1cc2nc(COc3cccc([N+](=O)[O-])c3)oc(=O)c2cc1OC ZINC000002313354 506276919 /nfs/dbraw/zinc/27/69/19/506276919.db2.gz OENZHUMHSKFYSU-UHFFFAOYSA-N 0 0 358.306 2.692 50 5 FFBARN COC(=O)c1cc(C(=O)Nc2nnc(CC(C)C)s2)cc([N+](=O)[O-])c1 ZINC000002642125 506284491 /nfs/dbraw/zinc/28/44/91/506284491.db2.gz AGDDRJOVEWEYPU-UHFFFAOYSA-N 0 0 364.383 2.684 50 5 FFBARN CO[C@@](F)(C(=O)Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)C(F)(F)F ZINC000003672549 506349409 /nfs/dbraw/zinc/34/94/09/506349409.db2.gz XWEKGMTXRSUTJU-JTQLQIEISA-N 0 0 355.200 2.624 50 5 FFBARN Cc1ccc(N2C[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1C ZINC000004497026 506377843 /nfs/dbraw/zinc/37/78/43/506377843.db2.gz KQNBSGUPOVXELS-HNNXBMFYSA-N 0 0 353.378 2.747 50 5 FFBARN Cc1ccc(NC(=O)c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)cc1 ZINC000004706771 506389473 /nfs/dbraw/zinc/38/94/73/506389473.db2.gz SLBFRUFFIQGJBA-UHFFFAOYSA-N 0 0 354.410 2.907 50 5 FFBARN C[C@@H]1C(=O)N(c2ccc(F)cc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000037275668 506422354 /nfs/dbraw/zinc/42/23/54/506422354.db2.gz UCAJHMREZQSYSF-GFCCVEGCSA-N 0 0 357.341 2.611 50 5 FFBARN C[C@H](OC(=O)c1n[nH]c2ccccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000039588711 506455013 /nfs/dbraw/zinc/45/50/13/506455013.db2.gz ORFABDSRIZOZMU-JTQLQIEISA-N 0 0 354.322 2.655 50 5 FFBARN O=C(Nc1ccc2c(c1)CCC2)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000040103349 506467036 /nfs/dbraw/zinc/46/70/36/506467036.db2.gz GITPENWLUGFBRK-UHFFFAOYSA-N 0 0 367.409 2.833 50 5 FFBARN CC(C)CCC[C@@H](C)NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000007767091 506588236 /nfs/dbraw/zinc/58/82/36/506588236.db2.gz OYOOZUKBRXVQLA-GFCCVEGCSA-N 0 0 361.398 2.522 50 5 FFBARN Cc1nc2ccccn2c(=O)c1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000009616747 506705039 /nfs/dbraw/zinc/70/50/39/506705039.db2.gz AHWIXVZYHNUDGD-UHFFFAOYSA-N 0 0 358.741 2.817 50 5 FFBARN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000012772282 506900215 /nfs/dbraw/zinc/90/02/15/506900215.db2.gz XFFDWWXKPBRSAP-SECBINFHSA-N 0 0 358.379 2.884 50 5 FFBARN Cc1cc(C)n(-c2ccccc2NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)n1 ZINC000012974372 506919430 /nfs/dbraw/zinc/91/94/30/506919430.db2.gz TYUJOIFXVHJMNI-UHFFFAOYSA-N 0 0 368.397 2.849 50 5 FFBARN Cc1ccc(OS(=O)(=O)c2ccc3c(c2)OCCCO3)c([N+](=O)[O-])c1 ZINC000015328350 507033521 /nfs/dbraw/zinc/03/35/21/507033521.db2.gz CTMUUTPSXVVQSW-UHFFFAOYSA-N 0 0 365.363 2.832 50 5 FFBARN CC(C)C12CN3CC(C(C)C)(CN(C1)C3c1ccc([N+](=O)[O-])cc1)C2O ZINC000019319649 507165042 /nfs/dbraw/zinc/16/50/42/507165042.db2.gz IHSZGDDDEHANKE-UHFFFAOYSA-N 0 0 359.470 2.884 50 5 biogenic FFBARN CS(=O)(=O)c1ccc(NCCc2nc3ccccc3[nH]2)c([N+](=O)[O-])c1 ZINC000057877445 507347756 /nfs/dbraw/zinc/34/77/56/507347756.db2.gz UNUCPJKPGIGDOJ-UHFFFAOYSA-N 0 0 360.395 2.529 50 5 FFBARN O=[N+]([O-])c1cccc(-c2nccn2C[C@H](O)c2ccc3c(c2)OCCO3)c1 ZINC000058174320 507379040 /nfs/dbraw/zinc/37/90/40/507379040.db2.gz MIALUKHMDJOXKP-INIZCTEOSA-N 0 0 367.361 2.963 50 5 FFBARN Cc1ccc(C(=O)N[C@H](Cn2cncn2)c2ccccc2)cc1[N+](=O)[O-] ZINC000058268377 507396202 /nfs/dbraw/zinc/39/62/02/507396202.db2.gz FWZAOEZKQBSTKI-MRXNPFEDSA-N 0 0 351.366 2.666 50 5 FFBARN Cc1sc(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc1[N+](=O)[O-] ZINC000024467614 507413325 /nfs/dbraw/zinc/41/33/25/507413325.db2.gz WFCSBPMKQGIHOC-UHFFFAOYSA-N 0 0 363.395 2.592 50 5 FFBARN COC(=O)c1oc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1C ZINC000025913158 507542161 /nfs/dbraw/zinc/54/21/61/507542161.db2.gz IDWVPOAKCVZIEV-UHFFFAOYSA-N 0 0 359.382 2.605 50 5 FFBARN CS(=O)(=O)c1ccc(N[C@@H]2CCCC[C@@H]2n2cccn2)c([N+](=O)[O-])c1 ZINC000072307295 507773928 /nfs/dbraw/zinc/77/39/28/507773928.db2.gz MSARCKFXDSCXHQ-HIFRSBDPSA-N 0 0 364.427 2.791 50 5 FFBARN O=C(C1CC1)N1CCC[C@H](C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000074017537 507977060 /nfs/dbraw/zinc/97/70/60/507977060.db2.gz OGQLWOMJXDKHIG-HNNXBMFYSA-N 0 0 357.410 2.523 50 5 FFBARN COC(=O)Cn1c2ccccc2s/c1=N\C(=O)c1ccccc1[N+](=O)[O-] ZINC000100876308 508240491 /nfs/dbraw/zinc/24/04/91/508240491.db2.gz PLLVCSRRRDKBMH-ZCXUNETKSA-N 0 0 371.374 2.525 50 5 FFBARN COC(=O)c1sc(NC(=O)c2cc([N+](=O)[O-])cc(C)c2F)nc1C ZINC000225697336 509384412 /nfs/dbraw/zinc/38/44/12/509384412.db2.gz DLVPEALSTGGYIQ-UHFFFAOYSA-N 0 0 353.331 2.846 50 5 FFBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000047175174 570881303 /nfs/dbraw/zinc/88/13/03/570881303.db2.gz ANZCFXLZUCYXAI-BBVFFXRHSA-N 0 0 365.389 2.698 50 5 FFBARN Cc1ccc(S(=O)(=O)n2cc(-c3ccc([N+](=O)[O-])cc3)c(N)n2)cc1 ZINC000001069831 727774392 /nfs/dbraw/zinc/77/43/92/727774392.db2.gz FNBAWJUSOUNSPG-UHFFFAOYSA-N 0 0 358.379 2.586 50 5 FFBARN CNC(=O)/C(=C/C=C\c1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000005793644 977578042 /nfs/dbraw/zinc/57/80/42/977578042.db2.gz ABADOHGDUGWOCM-NPFCYVKHSA-N 0 0 351.362 2.668 50 5 FFBARN COC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000001195066 1014454218 /nfs/dbraw/zinc/45/42/18/1014454218.db2.gz MOOQUSCZFFANCL-HNNXBMFYSA-N 0 0 373.390 2.821 50 5 FFBARN O=C(/C=C\c1ccc(-c2ccccc2[N+](=O)[O-])s1)NC[C@H]1COCCO1 ZINC000055846780 989162022 /nfs/dbraw/zinc/16/20/22/989162022.db2.gz HVUQDSGJFLSYNO-WOLRVDTOSA-N 0 0 374.418 2.868 50 5 FFBARN O=c1c(Cl)c(Cl)cnn1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000031840833 209847435 /nfs/dbraw/zinc/84/74/35/209847435.db2.gz HHXFPOWTMMYCPH-UHFFFAOYSA-N 0 0 368.136 2.557 50 5 FFBARN Cc1c(Br)c([N+](=O)[O-])nn1[C@H](C)C(=O)N1CCCCCC1 ZINC000001070717 219364058 /nfs/dbraw/zinc/36/40/58/219364058.db2.gz KYOCEIQLAGTRRD-SNVBAGLBSA-N 0 0 359.224 2.826 50 5 FFBARN Cc1sc(NC(=O)c2nn(C)cc2[N+](=O)[O-])c(C(=O)OC(C)C)c1C ZINC000002749746 209396987 /nfs/dbraw/zinc/39/69/87/209396987.db2.gz MHRLUNHFYVUSEJ-UHFFFAOYSA-N 0 0 366.399 2.824 50 5 FFBARN COC(=O)c1cc([N+](=O)[O-])cn(Cc2c(Cl)ccc3cccnc32)c1=O ZINC000048374617 209332676 /nfs/dbraw/zinc/33/26/76/209332676.db2.gz RXVCWLMQWIIEJH-UHFFFAOYSA-N 0 0 373.752 2.793 50 5 FFBARN O=C(N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000106527180 209273780 /nfs/dbraw/zinc/27/37/80/209273780.db2.gz NPTGIHFGCGXZJM-QGPMSJSTSA-N 0 0 368.368 2.698 50 5 FFBARN O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C21N=N1 ZINC000103940550 209256765 /nfs/dbraw/zinc/25/67/65/209256765.db2.gz JWJGZOULUOKBBO-UHFFFAOYSA-N 0 0 372.209 2.967 50 5 FFBARN O=C(OCc1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)c2ccco2)CC1 ZINC000019481836 220261354 /nfs/dbraw/zinc/26/13/54/220261354.db2.gz IKDHVMUTGRSUQY-UHFFFAOYSA-N 0 0 358.350 2.783 50 5 FFBARN Cc1c(N(C)C(=O)c2cccc([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C ZINC000001186145 206865855 /nfs/dbraw/zinc/86/58/55/206865855.db2.gz JGCWSSQRJGKTAB-UHFFFAOYSA-N 0 0 366.377 2.669 50 5 FFBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCS(=O)(=O)Cc1ccccc1 ZINC000002876370 206941905 /nfs/dbraw/zinc/94/19/05/206941905.db2.gz SUYNLNOEUKMLJL-UHFFFAOYSA-N 0 0 362.407 2.847 50 5 FFBARN O=C(NCCOc1ccccc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000003101361 206957159 /nfs/dbraw/zinc/95/71/59/206957159.db2.gz GHCNVMSYRCZUKP-UHFFFAOYSA-N 0 0 365.729 2.965 50 5 FFBARN O=C(COC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1Br ZINC000003300472 206967998 /nfs/dbraw/zinc/96/79/98/206967998.db2.gz HQFKVXLZJPRBFD-UHFFFAOYSA-N 0 0 354.112 2.990 50 5 FFBARN O=C(CCC(=O)OCC(=O)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004113428 207001451 /nfs/dbraw/zinc/00/14/51/207001451.db2.gz PXXHQIOEPWWUNQ-UHFFFAOYSA-N 0 0 356.334 2.740 50 5 FFBARN CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c1C ZINC000004548368 207026917 /nfs/dbraw/zinc/02/69/17/207026917.db2.gz AZHNNCREVDTUSI-GFCCVEGCSA-N 0 0 373.365 2.926 50 5 FFBARN Cc1nc([N+](=O)[O-])c(C(=O)OCc2ccccc2Br)n1C ZINC000004625022 207033596 /nfs/dbraw/zinc/03/35/96/207033596.db2.gz CKWLKJGHNMBAKZ-UHFFFAOYSA-N 0 0 354.160 2.756 50 5 FFBARN CCCSc1cc(NCCCOC(C)=O)c([N+](=O)[O-])c2nonc21 ZINC000004677066 207036503 /nfs/dbraw/zinc/03/65/03/207036503.db2.gz RSIJDVZLZTYWEK-UHFFFAOYSA-N 0 0 354.388 2.998 50 5 FFBARN O=C(C=Cc1cccc([N+](=O)[O-])c1)OCC(=O)c1ccc2c(c1)OCCO2 ZINC000004870768 207056960 /nfs/dbraw/zinc/05/69/60/207056960.db2.gz IEWZESMJGOCYOB-QPJJXVBHSA-N 0 0 369.329 2.805 50 5 FFBARN O=C(COC(=O)CCC(=O)c1cccs1)Nc1cccc([N+](=O)[O-])c1 ZINC000004965160 207066694 /nfs/dbraw/zinc/06/66/94/207066694.db2.gz NKRYIEJIRYETHC-UHFFFAOYSA-N 0 0 362.363 2.801 50 5 FFBARN Nc1nc(NC[C@H]2CCCO2)nc(Nc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000005067829 207077547 /nfs/dbraw/zinc/07/75/47/207077547.db2.gz RCPDCWQZDGUROD-LLVKDONJSA-N 0 0 364.793 2.955 50 5 FFBARN O=C1C[C@]2(CC(c3ccc([N+](=O)[O-])cc3)=NO2)C(=O)N1c1ccc(F)cc1 ZINC000005066158 207077579 /nfs/dbraw/zinc/07/75/79/207077579.db2.gz YWQPRQMRTVWFJR-GOSISDBHSA-N 0 0 369.308 2.561 50 5 FFBARN COC(=O)c1ccc(COC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cc1 ZINC000005363210 207095361 /nfs/dbraw/zinc/09/53/61/207095361.db2.gz XITQKDBLVNANHI-UHFFFAOYSA-N 0 0 358.350 2.804 50 5 FFBARN COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000006055684 207127777 /nfs/dbraw/zinc/12/77/77/207127777.db2.gz LYVQURAZXZZIKU-NSHDSACASA-N 0 0 374.349 2.796 50 5 FFBARN Cc1nn(CC(=O)N(C)Cc2c(F)cccc2Cl)c(C)c1[N+](=O)[O-] ZINC000006507825 207143962 /nfs/dbraw/zinc/14/39/62/207143962.db2.gz HEASFABXZPORMF-UHFFFAOYSA-N 0 0 354.769 2.859 50 5 FFBARN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccn(C23CC4CC(CC(C4)C2)C3)n1 ZINC000006827394 207170634 /nfs/dbraw/zinc/17/06/34/207170634.db2.gz NHBUUPNPVLQJDK-UHFFFAOYSA-N 0 0 370.413 2.702 50 5 FFBARN O=C(COc1cccc(N2CCCC2=O)c1)Nc1cccc([N+](=O)[O-])c1 ZINC000007063991 207185204 /nfs/dbraw/zinc/18/52/04/207185204.db2.gz HOXHDBUGUADXCB-UHFFFAOYSA-N 0 0 355.350 2.739 50 5 FFBARN Cn1c(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nnc1C1CC1 ZINC000007235595 207191140 /nfs/dbraw/zinc/19/11/40/207191140.db2.gz TYHWKBFSCDIXCE-UHFFFAOYSA-N 0 0 367.818 2.985 50 5 FFBARN Cc1ccc(NC(=O)CN(C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000007490221 207196451 /nfs/dbraw/zinc/19/64/51/207196451.db2.gz FBSSKZQPLXDIHL-UHFFFAOYSA-N 0 0 371.393 2.840 50 5 FFBARN Cc1c(NC(=O)C2CCN(C(=O)c3ccco3)CC2)cccc1[N+](=O)[O-] ZINC000008246584 207224695 /nfs/dbraw/zinc/22/46/95/207224695.db2.gz DOSZANVFBNTQFS-UHFFFAOYSA-N 0 0 357.366 2.987 50 5 FFBARN COc1cccc(CN(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000008774371 207248937 /nfs/dbraw/zinc/24/89/37/207248937.db2.gz DIDIFFTXHCZHPC-UHFFFAOYSA-N 0 0 350.396 2.733 50 5 FFBARN Cn1ccnc1[C@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1F ZINC000008719865 207243015 /nfs/dbraw/zinc/24/30/15/207243015.db2.gz VFFKOZFUYFELRW-MRXNPFEDSA-N 0 0 369.356 2.768 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1cc(F)cc2c1OCOC2 ZINC000009154171 207260245 /nfs/dbraw/zinc/26/02/45/207260245.db2.gz VUZXKYKNMXACKT-UHFFFAOYSA-N 0 0 362.313 2.790 50 5 FFBARN Cn1ccnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000009377752 207269287 /nfs/dbraw/zinc/26/92/87/207269287.db2.gz PNDZIWVYHVNPPW-MRXNPFEDSA-N 0 0 354.341 2.987 50 5 FFBARN O=[N+]([O-])c1ncccc1OCc1nnc(-c2ccc(Br)o2)o1 ZINC000009368881 207269867 /nfs/dbraw/zinc/26/98/67/207269867.db2.gz DQWACAJMMCCAJN-UHFFFAOYSA-N 0 0 367.115 2.974 50 5 FFBARN O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccccc1N1CCCC1=O ZINC000009687623 207281325 /nfs/dbraw/zinc/28/13/25/207281325.db2.gz JULSECNVGWLQBZ-UHFFFAOYSA-N 0 0 355.350 2.739 50 5 FFBARN CC(=O)N1CCc2cc(N[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)ccc21 ZINC000012564891 207394362 /nfs/dbraw/zinc/39/43/62/207394362.db2.gz LVXVFMVCNPPXAH-LBPRGKRZSA-N 0 0 368.393 2.943 50 5 FFBARN Cc1ccc2[nH]cc(CCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2c1 ZINC000013957957 207491066 /nfs/dbraw/zinc/49/10/66/207491066.db2.gz OGPFSMYEOBKQSO-UHFFFAOYSA-N 0 0 359.407 2.906 50 5 FFBARN CC(C)NC(=O)NC(=O)CNc1cc([N+](=O)[O-])ccc1Nc1ccccc1 ZINC000015333100 207551812 /nfs/dbraw/zinc/55/18/12/207551812.db2.gz SOVAKXLYLVBVGD-UHFFFAOYSA-N 0 0 371.397 2.985 50 5 FFBARN COc1ccc([C@H]2OC(c3cccc([N+](=O)[O-])c3)=NN2C(C)=O)cc1OC ZINC000021091792 207761745 /nfs/dbraw/zinc/76/17/45/207761745.db2.gz VWNROBOBYWLCIY-GOSISDBHSA-N 0 0 371.349 2.851 50 5 FFBARN CCOc1ccc(OCC)c(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c1 ZINC000024833498 207877021 /nfs/dbraw/zinc/87/70/21/207877021.db2.gz RPUBONQRYJXQBR-UHFFFAOYSA-N 0 0 362.386 2.844 50 5 FFBARN Cc1cc(NC(=O)C2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)no1 ZINC000024239094 207865402 /nfs/dbraw/zinc/86/54/02/207865402.db2.gz COIXFGMUSLPOPK-UHFFFAOYSA-N 0 0 373.369 2.774 50 5 FFBARN O=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000032779517 208043507 /nfs/dbraw/zinc/04/35/07/208043507.db2.gz YOHURGHJWPEPEG-UHFFFAOYSA-N 0 0 368.349 2.888 50 5 FFBARN CN(C)[C@@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1cccs1 ZINC000033012141 208065145 /nfs/dbraw/zinc/06/51/45/208065145.db2.gz SMOAPABBSQMGMS-AWEZNQCLSA-N 0 0 369.468 2.775 50 5 FFBARN CCc1onc(C)c1[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000033087000 208071263 /nfs/dbraw/zinc/07/12/63/208071263.db2.gz INNKLMPUOGPVFN-AWEZNQCLSA-N 0 0 365.411 2.979 50 5 FFBARN CN(C)[C@@H](c1nnnn1-c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000036062157 208144229 /nfs/dbraw/zinc/14/42/29/208144229.db2.gz OAISGSZIIBEPRP-OAHLLOKOSA-N 0 0 358.789 2.875 50 5 FFBARN CC(C)CN(CC(=O)Nc1nccs1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000040368184 208249791 /nfs/dbraw/zinc/24/97/91/208249791.db2.gz GQYIQBLCHHLDOR-UHFFFAOYSA-N 0 0 362.411 2.788 50 5 FFBARN O=C(c1cccc(CNc2ccc([N+](=O)[O-])cc2F)c1)N1CCOCC1 ZINC000058208846 208567707 /nfs/dbraw/zinc/56/77/07/208567707.db2.gz FEXJLQSQKPKATN-UHFFFAOYSA-N 0 0 359.357 2.818 50 5 FFBARN C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](c2ccccc2)O1 ZINC000063198625 208605856 /nfs/dbraw/zinc/60/58/56/208605856.db2.gz UHSCZITXVCPKMP-CXAGYDPISA-N 0 0 362.407 2.746 50 5 FFBARN Cc1nc2cc(NS(=O)(=O)Cc3ccccc3[N+](=O)[O-])ccc2n1C ZINC000095995772 209093959 /nfs/dbraw/zinc/09/39/59/209093959.db2.gz WMCKJUDQKMLINU-UHFFFAOYSA-N 0 0 360.395 2.732 50 5 FFBARN Cc1cc(C2CCN([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000095459843 209054143 /nfs/dbraw/zinc/05/41/43/209054143.db2.gz HJEJCYSCVWETPC-CYBMUJFWSA-N 0 0 357.414 2.833 50 5 FFBARN Cc1ccc(CNC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 ZINC000004660528 132387033 /nfs/dbraw/zinc/38/70/33/132387033.db2.gz FGALVMZNIYXVLR-UHFFFAOYSA-N 0 0 355.394 2.670 50 5 FFBARN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2ccccc2C)CC1 ZINC000005701882 132829834 /nfs/dbraw/zinc/82/98/34/132829834.db2.gz TUVPCCCXLWFFPT-UHFFFAOYSA-N 0 0 354.410 2.907 50 5 FFBARN Cc1c(NC(=O)CCN2C(=O)COc3ccccc32)cccc1[N+](=O)[O-] ZINC000008137067 132842989 /nfs/dbraw/zinc/84/29/89/132842989.db2.gz DUVAJTNEZORUPB-UHFFFAOYSA-N 0 0 355.350 2.657 50 5 FFBARN Cc1ccc2nc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cn2c1 ZINC000012323640 132856109 /nfs/dbraw/zinc/85/61/09/132856109.db2.gz UDVWVCSCNBSUMV-UHFFFAOYSA-N 0 0 365.393 2.513 50 5 FFBARN Cc1cccc(C)c1NC(=O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000055345836 136126513 /nfs/dbraw/zinc/12/65/13/136126513.db2.gz HNTREHRVXGKHJA-UHFFFAOYSA-N 0 0 368.437 2.972 50 5 FFBARN CC(=O)Nc1ccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000000674548 506227568 /nfs/dbraw/zinc/22/75/68/506227568.db2.gz OGKXZOFFFHQKHD-UHFFFAOYSA-N 0 0 358.379 2.680 50 5 FFBARN COc1cc([N+](=O)[O-])cc2c(CCN3C(=O)c4ccccc4C3=O)c[nH]c21 ZINC000000754071 506229663 /nfs/dbraw/zinc/22/96/63/506229663.db2.gz YXNBRHLMSDMDDH-UHFFFAOYSA-N 0 0 365.345 2.923 50 5 FFBARN O=C(COC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O)c1ccccc1 ZINC000000807595 506233871 /nfs/dbraw/zinc/23/38/71/506233871.db2.gz WRBPFVOCULDECR-UHFFFAOYSA-N 0 0 353.286 2.741 50 5 FFBARN C[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O ZINC000000947369 506240975 /nfs/dbraw/zinc/24/09/75/506240975.db2.gz YHOVPIUQSVDYHH-SECBINFHSA-N 0 0 373.752 2.871 50 5 FFBARN CC(=O)Nc1cc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc2oc1=O ZINC000001040703 506246394 /nfs/dbraw/zinc/24/63/94/506246394.db2.gz JKPDDFFURJQHOM-UHFFFAOYSA-N 0 0 367.317 2.912 50 5 FFBARN O=C(COc1cccnc1[N+](=O)[O-])Nc1ccc(Br)cc1 ZINC000002634298 506285570 /nfs/dbraw/zinc/28/55/70/506285570.db2.gz JHRNASCRBXAZSH-UHFFFAOYSA-N 0 0 352.144 2.770 50 5 FFBARN Cc1nn(CCNC(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1Br ZINC000002796298 506293647 /nfs/dbraw/zinc/29/36/47/506293647.db2.gz MRFLHXHJHUUXLO-UHFFFAOYSA-N 0 0 367.203 2.601 50 5 FFBARN CCOC(=O)[C@@H](C)On1c2cc([N+](=O)[O-])ccc2nc1-c1ccccc1 ZINC000003063713 506309700 /nfs/dbraw/zinc/30/97/00/506309700.db2.gz MYAXZVGAFGATAW-GFCCVEGCSA-N 0 0 355.350 2.992 50 5 FFBARN CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000003255989 506317519 /nfs/dbraw/zinc/31/75/19/506317519.db2.gz VRVOZLYRINJWML-LBPRGKRZSA-N 0 0 356.334 2.981 50 5 FFBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])OCC(=O)N1CCc2ccccc21 ZINC000003275250 506318508 /nfs/dbraw/zinc/31/85/08/506318508.db2.gz MPRZPTQWFGTDFU-MDZDMXLPSA-N 0 0 352.346 2.741 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1ccc(F)cc1 ZINC000003510034 506337656 /nfs/dbraw/zinc/33/76/56/506337656.db2.gz UHPFMIOPFVEGKC-SNVBAGLBSA-N 0 0 362.313 2.927 50 5 FFBARN CC(=O)Nc1cccc(C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000003519212 506339224 /nfs/dbraw/zinc/33/92/24/506339224.db2.gz MVORXEHTAWONCD-NSHDSACASA-N 0 0 371.349 2.737 50 5 FFBARN Cc1cc2ccccc2n1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004060469 506356188 /nfs/dbraw/zinc/35/61/88/506356188.db2.gz PNIBXAHBFMNKQP-UHFFFAOYSA-N 0 0 359.407 2.836 50 5 FFBARN O=C(Nc1ccc2c(c1)C(=O)NC2=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000004263875 506368066 /nfs/dbraw/zinc/36/80/66/506368066.db2.gz IRLRLZFMSVQYDR-UHFFFAOYSA-N 0 0 367.342 2.945 50 5 FFBARN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC000004497367 506379641 /nfs/dbraw/zinc/37/96/41/506379641.db2.gz ZALQCFGNPVLOQL-WUKHSURWSA-N 0 0 369.352 2.669 50 5 FFBARN COc1ccc(NC(=O)c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)cc1 ZINC000004983865 506411291 /nfs/dbraw/zinc/41/12/91/506411291.db2.gz MRVQMVWSSALAHP-UHFFFAOYSA-N 0 0 370.409 2.608 50 5 FFBARN COC(=O)c1ccc(OCC(=O)N2CCCCCCC2)c([N+](=O)[O-])c1 ZINC000007086850 506532207 /nfs/dbraw/zinc/53/22/07/506532207.db2.gz OMWOBNYSPVCKHP-UHFFFAOYSA-N 0 0 350.371 2.553 50 5 FFBARN O=[N+]([O-])c1ccc(N2CCN(c3ncccn3)CC2)cc1C(F)(F)F ZINC000009470465 506697503 /nfs/dbraw/zinc/69/75/03/506697503.db2.gz YBTFTGIMRJBAIW-UHFFFAOYSA-N 0 0 353.304 2.730 50 5 FFBARN CC(=O)Nc1cccc2c1CCN(C(=O)NCc1ccc([N+](=O)[O-])cc1)C2 ZINC000056458965 507018535 /nfs/dbraw/zinc/01/85/35/507018535.db2.gz UENWMKZQBXTGIJ-UHFFFAOYSA-N 0 0 368.393 2.821 50 5 FFBARN COc1ccc(CNC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000015330788 507032702 /nfs/dbraw/zinc/03/27/02/507032702.db2.gz QFWGAEPABZVWRU-GFCCVEGCSA-N 0 0 360.366 2.696 50 5 FFBARN CC(C)(C)OC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000016247129 507079533 /nfs/dbraw/zinc/07/95/33/507079533.db2.gz OLJWXKSGHIAQGT-UHFFFAOYSA-N 0 0 350.371 2.694 50 5 FFBARN COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000016596046 507098935 /nfs/dbraw/zinc/09/89/35/507098935.db2.gz AYGOYWAIWYZKBX-HNNXBMFYSA-N 0 0 362.769 2.762 50 5 FFBARN COc1ccccc1CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000019570441 507180544 /nfs/dbraw/zinc/18/05/44/507180544.db2.gz DIFVTZDHJJYHQI-UHFFFAOYSA-N 0 0 355.394 2.561 50 5 FFBARN C[C@H](Sc1nncn1Cc1ccco1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000022193494 507283357 /nfs/dbraw/zinc/28/33/57/507283357.db2.gz RGNKMIGKUZTKFO-NSHDSACASA-N 0 0 373.394 2.947 50 5 FFBARN C[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000024227676 507399106 /nfs/dbraw/zinc/39/91/06/507399106.db2.gz OVLZYDUNNNBTFM-GFCCVEGCSA-N 0 0 358.350 2.622 50 5 FFBARN O=C(C1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1)N1CCCCCC1 ZINC000058304124 507403084 /nfs/dbraw/zinc/40/30/84/507403084.db2.gz VWTOADNBDAPKKW-UHFFFAOYSA-N 0 0 371.441 2.862 50 5 FFBARN Cc1nc(C(F)(F)F)ccc1C(=O)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000024562310 507419322 /nfs/dbraw/zinc/41/93/22/507419322.db2.gz FASVLMYLLXMICX-ZDUSSCGKSA-N 0 0 369.299 2.780 50 5 FFBARN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1Cn1nc(-c2cccs2)oc1=O ZINC000024654878 507428025 /nfs/dbraw/zinc/42/80/25/507428025.db2.gz JLFAFLKIMUAIPZ-JTQLQIEISA-N 0 0 358.379 2.882 50 5 FFBARN C[C@H](C(=O)N(C)Cc1ccc([N+](=O)[O-])cc1)n1c(=O)oc2ccccc21 ZINC000170596098 509673805 /nfs/dbraw/zinc/67/38/05/509673805.db2.gz LROQLGQPZNTIPY-GFCCVEGCSA-N 0 0 355.350 2.722 50 5 FFBARN CC(C)CCNC(=O)C1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000048253854 570940705 /nfs/dbraw/zinc/94/07/05/570940705.db2.gz IRMHUHJADDQQKA-UHFFFAOYSA-N 0 0 373.457 2.776 50 5 FFBARN COc1ccc(OC)c(NC(=O)/C=C\c2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000097997353 964230862 /nfs/dbraw/zinc/23/08/62/964230862.db2.gz QIOZAEBTIKJCIZ-UTCJRWHESA-N 0 0 372.333 2.993 50 5 FFBARN O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccccn1 ZINC000001071900 219363863 /nfs/dbraw/zinc/36/38/63/219363863.db2.gz WWUYWTAPPDQRGR-UHFFFAOYSA-N 0 0 357.351 2.771 50 5 FFBARN O=C(Cn1cnnn1)Nc1cc([N+](=O)[O-])cc2oc(-c3ccccc3)cc21 ZINC000001089566 219368759 /nfs/dbraw/zinc/36/87/59/219368759.db2.gz UEHIBTDOEZSAOB-UHFFFAOYSA-N 0 0 364.321 2.633 50 5 FFBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)O[C@@]12CCOC(C)(C)C2 ZINC000001133612 219376641 /nfs/dbraw/zinc/37/66/41/219376641.db2.gz HHSBXLGQZNIDHW-SCLBCKFNSA-N 0 0 362.382 2.733 50 5 FFBARN COC(=O)c1cc(N[C@@H]2CCC(=O)N[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000225580842 209820500 /nfs/dbraw/zinc/82/05/00/209820500.db2.gz LYDBQQOARJAVBH-QAPCUYQASA-N 0 0 369.377 2.813 50 5 FFBARN COc1ccc(OC)c2c1s/c(=N\C(=O)c1ccccc1[N+](=O)[O-])n2C ZINC000100909001 209485665 /nfs/dbraw/zinc/48/56/65/209485665.db2.gz CUAKISPWXVOOLH-ZCXUNETKSA-N 0 0 373.390 2.906 50 5 FFBARN CCN(CC)S(=O)(=O)c1ccc(NCc2cccnc2)c([N+](=O)[O-])c1 ZINC000008147359 209468246 /nfs/dbraw/zinc/46/82/46/209468246.db2.gz GETBQNDYJOHYES-UHFFFAOYSA-N 0 0 364.427 2.632 50 5 FFBARN Cc1ccc(C(=O)N2NC(C3CC3)=C[C@@]2(O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000000651697 209375044 /nfs/dbraw/zinc/37/50/44/209375044.db2.gz YPSVMXUOBUOBHI-CQSZACIVSA-N 0 0 357.288 2.766 50 5 FFBARN COc1ccccc1NC(=O)c1cc(N2CCOCC2)ccc1[N+](=O)[O-] ZINC000009514451 219881876 /nfs/dbraw/zinc/88/18/76/219881876.db2.gz LXXHPHPLQAWYSP-UHFFFAOYSA-N 0 0 357.366 2.692 50 5 FFBARN CNC(=O)/C(=C\C=C\c1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000100272204 209211362 /nfs/dbraw/zinc/21/13/62/209211362.db2.gz ABADOHGDUGWOCM-BDKUJZOCSA-N 0 0 351.362 2.668 50 5 FFBARN Cc1ccc([N+](=O)[O-])c(=O)n1CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000096552856 209154754 /nfs/dbraw/zinc/15/47/54/209154754.db2.gz XAUWCYNQTSOLOL-UHFFFAOYSA-N 0 0 355.272 2.722 50 5 FFBARN O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(OC(F)(F)F)cc1 ZINC000016488030 220185572 /nfs/dbraw/zinc/18/55/72/220185572.db2.gz VTJQUVKJMFFHEZ-AWEZNQCLSA-N 0 0 370.283 2.957 50 5 FFBARN COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000000833036 206837375 /nfs/dbraw/zinc/83/73/75/206837375.db2.gz FYQDPZXRMZZOCL-HNNXBMFYSA-N 0 0 357.322 2.656 50 5 FFBARN Cn1cnnc1SCc1cc(=O)c(OCc2cccc([N+](=O)[O-])c2)co1 ZINC000010220380 206876536 /nfs/dbraw/zinc/87/65/36/206876536.db2.gz WXSNXZFASNDLMI-UHFFFAOYSA-N 0 0 374.378 2.548 50 5 FFBARN Cc1cc2c(cc1C)N[C@H](CC(=O)Nc1ccccc1[N+](=O)[O-])C(=O)N2 ZINC000004189052 207006755 /nfs/dbraw/zinc/00/67/55/207006755.db2.gz ZZYNTRUDMRKKLU-OAHLLOKOSA-N 0 0 354.366 2.973 50 5 FFBARN CN1c2ccc(Cl)cc2[C@](O)(CC(=O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000004555357 207028210 /nfs/dbraw/zinc/02/82/10/207028210.db2.gz SMDQRZLHQNTVLW-QGZVFWFLSA-N 0 0 360.753 2.685 50 5 FFBARN COc1ccc(-n2c3ccccc3cc3c(=O)n(C)c(=O)nc2-3)cc1Cl ZINC000004971735 207067346 /nfs/dbraw/zinc/06/73/46/207067346.db2.gz SIXVXWPFSHVALZ-UHFFFAOYSA-N 0 0 367.792 2.851 50 5 FFBARN CCOc1ccc(Nc2nc(NC[C@H]3CCCO3)nc(N)c2[N+](=O)[O-])cc1 ZINC000005118910 207081952 /nfs/dbraw/zinc/08/19/52/207081952.db2.gz ZXLLYTWXTRLCGH-CYBMUJFWSA-N 0 0 374.401 2.700 50 5 FFBARN Cc1nc([N+](=O)[O-])c(Br)n1CC(=O)c1cccc([N+](=O)[O-])c1 ZINC000005642133 207110295 /nfs/dbraw/zinc/11/02/95/207110295.db2.gz HJSADCRJJJNTCE-UHFFFAOYSA-N 0 0 369.131 2.653 50 5 FFBARN O=C(COC(=O)c1ccc([N+](=O)[O-])o1)Nc1ncc(Cl)cc1Cl ZINC000005559314 207106245 /nfs/dbraw/zinc/10/62/45/207106245.db2.gz FYFKITKMIROERM-UHFFFAOYSA-N 0 0 360.109 2.685 50 5 FFBARN Cc1ccc(NC(=O)COC(=O)c2n[nH]c3ccccc32)c([N+](=O)[O-])c1 ZINC000006516820 207144299 /nfs/dbraw/zinc/14/42/99/207144299.db2.gz XJICGRXXOOLUQV-UHFFFAOYSA-N 0 0 354.322 2.575 50 5 FFBARN O=[N+]([O-])c1cccc(C2=NNC(=NCc3ccc4c(c3)OCO4)SC2)c1 ZINC000006529039 207145530 /nfs/dbraw/zinc/14/55/30/207145530.db2.gz KQLGPHLIABGMCD-UHFFFAOYSA-N 0 0 370.390 2.920 50 5 FFBARN Cc1cc(NC(=O)COC(=O)c2ccccc2[N+](=O)[O-])c([N+](=O)[O-])cc1C ZINC000006566424 207146177 /nfs/dbraw/zinc/14/61/77/207146177.db2.gz XURADYZSTIOXGG-UHFFFAOYSA-N 0 0 373.321 2.915 50 5 FFBARN Cc1cccn2c(=O)cc(COC(=O)c3cccc([N+](=O)[O-])c3C)nc12 ZINC000007155812 207188742 /nfs/dbraw/zinc/18/87/42/207188742.db2.gz FRBIKXZLCYFOQB-UHFFFAOYSA-N 0 0 353.334 2.577 50 5 FFBARN C/C=C/C=C/C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000007159391 207188839 /nfs/dbraw/zinc/18/88/39/207188839.db2.gz RULGZPAOKWZVOZ-MQQKCMAXSA-N 0 0 369.171 2.971 50 5 FFBARN COc1ccc(S(=O)(=O)Nc2ccc3oc(C)nc3c2)cc1[N+](=O)[O-] ZINC000008110001 207219828 /nfs/dbraw/zinc/21/98/28/207219828.db2.gz IISDVUGHKZAIHT-UHFFFAOYSA-N 0 0 363.351 2.854 50 5 FFBARN CCN(CC)C(=O)[C@@H](OC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000007920699 207212182 /nfs/dbraw/zinc/21/21/82/207212182.db2.gz HSJOTVQVCWWXMD-KRWDZBQOSA-N 0 0 371.393 2.944 50 5 FFBARN CCc1cccc(OCC(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000008273192 207226235 /nfs/dbraw/zinc/22/62/35/207226235.db2.gz LKVMDIGFZSRNNK-UHFFFAOYSA-N 0 0 358.350 2.718 50 5 FFBARN O=c1c(-c2ccccc2)nnc2sc(-c3ccc([N+](=O)[O-])cc3)nn21 ZINC000008393689 207231919 /nfs/dbraw/zinc/23/19/19/207231919.db2.gz AXXPDAJJBPETJI-UHFFFAOYSA-N 0 0 351.347 2.788 50 5 FFBARN COc1ccc(OC)c(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000008748786 207246673 /nfs/dbraw/zinc/24/66/73/207246673.db2.gz ICXKQILQCXHPHR-UHFFFAOYSA-N 0 0 360.322 2.636 50 5 FFBARN Cn1ccnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000009115207 207258398 /nfs/dbraw/zinc/25/83/98/207258398.db2.gz XCUVNCZXFBHQPE-MRXNPFEDSA-N 0 0 354.341 2.987 50 5 FFBARN Cn1ccnc1[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000009364370 207268750 /nfs/dbraw/zinc/26/87/50/207268750.db2.gz FQDLXRATLNOAHO-INIZCTEOSA-N 0 0 354.341 2.987 50 5 FFBARN Cc1cc(C)nc(-n2nc3[nH]ccc(-c4cccc([N+](=O)[O-])c4)c-3c2=O)n1 ZINC000009483060 207274093 /nfs/dbraw/zinc/27/40/93/207274093.db2.gz SGRQMXFVFLXBOX-UHFFFAOYSA-N 0 0 362.349 2.696 50 5 FFBARN O=C(c1ccccc1F)N1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000036393213 207280640 /nfs/dbraw/zinc/28/06/40/207280640.db2.gz YGRXSFRXAJQYAP-UHFFFAOYSA-N 0 0 373.384 2.571 50 5 FFBARN CCN(c1ccc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1)C(C)C ZINC000010246945 207297520 /nfs/dbraw/zinc/29/75/20/207297520.db2.gz CMCTXIJDZKQNQJ-UHFFFAOYSA-N 0 0 358.398 2.630 50 5 FFBARN COC(=O)c1c(C)[nH]c(C(=O)COc2cc(F)ccc2[N+](=O)[O-])c1C ZINC000009951820 207290914 /nfs/dbraw/zinc/29/09/14/207290914.db2.gz HNHPDIRVYJIWBB-UHFFFAOYSA-N 0 0 350.302 2.727 50 5 FFBARN CC(C)(C)c1ccc(C(=O)NCC(=O)NCc2ccco2)cc1[N+](=O)[O-] ZINC000010031850 207293260 /nfs/dbraw/zinc/29/32/60/207293260.db2.gz DIVWTXNCKFAABJ-UHFFFAOYSA-N 0 0 359.382 2.532 50 5 FFBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000011229270 207310989 /nfs/dbraw/zinc/31/09/89/207310989.db2.gz QIEIWWTZKAINAR-UHFFFAOYSA-N 0 0 355.350 2.505 50 5 FFBARN O=C(N/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCCC1)c1ccco1 ZINC000015936907 207574871 /nfs/dbraw/zinc/57/48/71/207574871.db2.gz MWGHFWSOUHCKHD-SSZFMOIBSA-N 0 0 369.377 2.971 50 5 FFBARN O=C(NC[C@@H](c1ccccc1)N1CCOCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000032779503 208043572 /nfs/dbraw/zinc/04/35/72/208043572.db2.gz YRDKLPOUZURCQE-SFHVURJKSA-N 0 0 370.409 2.790 50 5 FFBARN CCc1onc(C)c1[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000033087007 208070689 /nfs/dbraw/zinc/07/06/89/208070689.db2.gz SFTUPLCYUMFZCD-CQSZACIVSA-N 0 0 365.411 2.979 50 5 FFBARN O=C(NCc1ccccc1F)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000095988662 132216453 /nfs/dbraw/zinc/21/64/53/132216453.db2.gz RKCFYQHHIXCFRV-UHFFFAOYSA-N 0 0 359.357 2.501 50 5 FFBARN CC(=O)c1ccc(N2CCN(Cc3c(C)noc3C)CC2)c([N+](=O)[O-])c1 ZINC000097054114 132227345 /nfs/dbraw/zinc/22/73/45/132227345.db2.gz RYGIBZYFKXRKNP-UHFFFAOYSA-N 0 0 358.398 2.724 50 5 FFBARN CCCN1CCN(C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000008341491 132259892 /nfs/dbraw/zinc/25/98/92/132259892.db2.gz AVTHIVMCXVRDHM-MRXNPFEDSA-N 0 0 374.485 2.999 50 5 FFBARN Cc1cccc(Nc2nc(N3C[C@@H](C)O[C@@H](C)C3)nc(N)c2[N+](=O)[O-])c1 ZINC000018037184 132885517 /nfs/dbraw/zinc/88/55/17/132885517.db2.gz QBAOLCNCQYYCFT-TXEJJXNPSA-N 0 0 358.402 2.633 50 5 FFBARN O=C(c1cc2ccccc2o1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000025580542 132914059 /nfs/dbraw/zinc/91/40/59/132914059.db2.gz ZOCLSAQYSUNVPY-UHFFFAOYSA-N 0 0 352.350 2.698 50 5 FFBARN O=[N+]([O-])c1cc(F)ccc1N1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000057877336 136130382 /nfs/dbraw/zinc/13/03/82/136130382.db2.gz ILPWPWMBYGEECB-UHFFFAOYSA-N 0 0 373.384 2.827 50 5 FFBARN Cc1cc(C(=O)NC2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)no1 ZINC000058161757 136130443 /nfs/dbraw/zinc/13/04/43/136130443.db2.gz ATQZAZULDZHAOM-UHFFFAOYSA-N 0 0 364.789 2.943 50 5 FFBARN COc1ccc(OC)c(CN2CCN(Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000000652085 506226795 /nfs/dbraw/zinc/22/67/95/506226795.db2.gz QLVFCBTWSCJGGX-UHFFFAOYSA-N 0 0 371.437 2.930 50 5 FFBARN COc1ccc(CN2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1OC ZINC000000865095 506236831 /nfs/dbraw/zinc/23/68/31/506236831.db2.gz BJVGXVRPAWUVCR-UHFFFAOYSA-N 0 0 371.437 2.930 50 5 FFBARN COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000001195000 506253679 /nfs/dbraw/zinc/25/36/79/506253679.db2.gz PKSSXEOECMCCCI-OAHLLOKOSA-N 0 0 357.322 2.656 50 5 FFBARN O=C(Cc1ccc([N+](=O)[O-])cc1)N1NC2=C(CCCC2)[C@@]1(O)C(F)(F)F ZINC000001212401 506257272 /nfs/dbraw/zinc/25/72/72/506257272.db2.gz KTEOIVMFGWSIHU-IUODEOHRSA-N 0 0 371.315 2.777 50 5 FFBARN Cn1c(=O)nc2n(-c3ccccc3F)c3cccc(Cl)c3cc-2c1=O ZINC000002250089 506275663 /nfs/dbraw/zinc/27/56/63/506275663.db2.gz NUTIVPNSRQRFAE-UHFFFAOYSA-N 0 0 355.756 2.982 50 5 FFBARN CCOc1ccc2nc(NC(=O)c3nn(C)c(C)c3[N+](=O)[O-])sc2c1 ZINC000002761708 506289306 /nfs/dbraw/zinc/28/93/06/506289306.db2.gz YEFPLTMDIGOEQA-UHFFFAOYSA-N 0 0 361.383 2.897 50 5 FFBARN C[C@H](Cn1cc([N+](=O)[O-])cn1)C(=O)Nc1ccc(Br)cc1F ZINC000002794307 506293526 /nfs/dbraw/zinc/29/35/26/506293526.db2.gz QUIYLDJCMVWFHM-MRVPVSSYSA-N 0 0 371.166 2.968 50 5 FFBARN O=C(COC(=O)Cc1ccccc1[N+](=O)[O-])N[C@H]1CCCc2ccccc21 ZINC000003248466 506314692 /nfs/dbraw/zinc/31/46/92/506314692.db2.gz CQLWEFOOTNUQQG-KRWDZBQOSA-N 0 0 368.389 2.874 50 5 FFBARN COc1ccc(C(=O)OCC(=O)Nc2ccc(C)c(F)c2)cc1[N+](=O)[O-] ZINC000003441948 506331052 /nfs/dbraw/zinc/33/10/52/506331052.db2.gz VWLGDGKHFGWIKH-UHFFFAOYSA-N 0 0 362.313 2.846 50 5 FFBARN Cc1cc(OC(=O)c2cccc(Br)c2)c([N+](=O)[O-])c(=O)[nH]1 ZINC000004248364 506366228 /nfs/dbraw/zinc/36/62/28/506366228.db2.gz GBOZLSVXNDYEDC-UHFFFAOYSA-N 0 0 353.128 2.573 50 5 FFBARN Cc1ccccc1-c1nnc2s/c(=C/c3ccc([N+](=O)[O-])cc3)c(=O)n21 ZINC000005072286 506420286 /nfs/dbraw/zinc/42/02/86/506420286.db2.gz ITBAIPQIIFPTRC-XNTDXEJSSA-N 0 0 364.386 2.582 50 5 FFBARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000005966143 506463849 /nfs/dbraw/zinc/46/38/49/506463849.db2.gz BVUHETXGAQILNL-LLVKDONJSA-N 0 0 371.349 2.737 50 5 FFBARN Cc1nnc([C@H](C)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)o1 ZINC000040152888 506476562 /nfs/dbraw/zinc/47/65/62/506476562.db2.gz VIAXIKRWBUEDEC-JTQLQIEISA-N 0 0 351.794 2.823 50 5 FFBARN CC(=O)Nc1cccc2c1CCN(CC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000054389897 506549199 /nfs/dbraw/zinc/54/91/99/506549199.db2.gz WVNZWGSDBMQUPJ-UHFFFAOYSA-N 0 0 368.393 2.550 50 5 FFBARN O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000010218967 506732649 /nfs/dbraw/zinc/73/26/49/506732649.db2.gz RDFDIHOFASFIKM-UHFFFAOYSA-N 0 0 366.370 2.927 50 5 FFBARN O=C(NCCc1c[nH]c2ccccc12)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000010326854 506738102 /nfs/dbraw/zinc/73/81/02/506738102.db2.gz JKVBPUHKGJESMQ-UHFFFAOYSA-N 0 0 370.340 2.513 50 5 FFBARN Cc1ccc(CNC(=O)c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)cc1 ZINC000012517348 506869926 /nfs/dbraw/zinc/86/99/26/506869926.db2.gz VHFASSGZOQQOSL-UHFFFAOYSA-N 0 0 368.437 2.585 50 5 FFBARN CCCCCOc1ccc(/C=C/c2c([N+](=O)[O-])c(=O)n(C)c(=O)n2C)cc1 ZINC000012731109 506891325 /nfs/dbraw/zinc/89/13/25/506891325.db2.gz ZHONKXNEXKRGRA-FMIVXFBMSA-N 0 0 373.409 2.732 50 5 FFBARN COc1cc(C(=O)Nc2ccc(N3CCCC3)nc2)c([N+](=O)[O-])cc1OC ZINC000012766853 506898623 /nfs/dbraw/zinc/89/86/23/506898623.db2.gz SOGHFYMQTOUBHR-UHFFFAOYSA-N 0 0 372.381 2.860 50 5 FFBARN CCCN(CCC)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000012775940 506899973 /nfs/dbraw/zinc/89/99/73/506899973.db2.gz OWOGAYAVZDASMU-UHFFFAOYSA-N 0 0 358.416 2.567 50 5 FFBARN Cc1cc(C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)ccc1[N+](=O)[O-] ZINC000012852933 506909960 /nfs/dbraw/zinc/90/99/60/506909960.db2.gz AUKPPBUZXQSNLJ-UHFFFAOYSA-N 0 0 367.361 2.805 50 5 FFBARN COc1ccc(C(=O)NCc2ccc(N3CCCC3)nc2)cc1[N+](=O)[O-] ZINC000012928247 506915812 /nfs/dbraw/zinc/91/58/12/506915812.db2.gz RGFVANUWHBVYIB-UHFFFAOYSA-N 0 0 356.382 2.529 50 5 FFBARN CCC(=O)Nc1ccc2nc3c(nc2c1)[nH]c(=O)n(C1CCCCC1)c3=O ZINC000018039588 507133320 /nfs/dbraw/zinc/13/33/20/507133320.db2.gz ZEUQUAXIKVZURF-UHFFFAOYSA-N 0 0 367.409 2.899 50 5 FFBARN Cc1cccc2oc(=O)n(C3CCN(C(=O)c4ccc([N+](=O)[O-])o4)CC3)c21 ZINC000022624238 507301843 /nfs/dbraw/zinc/30/18/43/507301843.db2.gz GYFQJUUEBXQNDJ-UHFFFAOYSA-N 0 0 371.349 2.881 50 5 FFBARN COC(=O)c1cc([N+](=O)[O-])c(=O)n(Cc2csc(CCC(C)C)n2)c1 ZINC000058171036 507378185 /nfs/dbraw/zinc/37/81/85/507378185.db2.gz AVEPQDVYPKUARO-UHFFFAOYSA-N 0 0 365.411 2.637 50 5 FFBARN COc1ccc(OC)c2c1CN(C(=O)Nc1cccc([N+](=O)[O-])c1)C[C@@H]2O ZINC000024238120 507400194 /nfs/dbraw/zinc/40/01/94/507400194.db2.gz PAWQPWOLVNAACF-AWEZNQCLSA-N 0 0 373.365 2.693 50 5 FFBARN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCC1(c2ccccc2)CCCCC1 ZINC000058342515 507406678 /nfs/dbraw/zinc/40/66/78/507406678.db2.gz IRUQYXUEGKWBHW-UHFFFAOYSA-N 0 0 369.421 2.775 50 5 FFBARN COC(=O)c1cc(C(=O)Nc2cccc(-c3nnco3)c2)cc([N+](=O)[O-])c1 ZINC000024743783 507434013 /nfs/dbraw/zinc/43/40/13/507434013.db2.gz PNESOIFQXLJVMI-UHFFFAOYSA-N 0 0 368.305 2.684 50 5 FFBARN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)OCc2ccccc2[N+](=O)[O-])c1 ZINC000025115204 507467228 /nfs/dbraw/zinc/46/72/28/507467228.db2.gz WSRJXFMCMKEEDO-UHFFFAOYSA-N 0 0 371.349 2.869 50 5 FFBARN O=[N+]([O-])c1ccnn1Cc1nc(-c2cc(Br)cs2)no1 ZINC000048705926 507553056 /nfs/dbraw/zinc/55/30/56/507553056.db2.gz QNWYPINAJOPMCI-UHFFFAOYSA-N 0 0 356.161 2.714 50 5 FFBARN COc1cccc(OC)c1C(=O)/N=c1\sc2cc([N+](=O)[O-])ccc2n1C ZINC000100815954 508240479 /nfs/dbraw/zinc/24/04/79/508240479.db2.gz PVNIHMIGUDAVLW-ZCXUNETKSA-N 0 0 373.390 2.906 50 5 FFBARN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000084351130 508275179 /nfs/dbraw/zinc/27/51/79/508275179.db2.gz ICVYXCARHZLITJ-QWRGUYRKSA-N 0 0 352.696 2.776 50 5 FFBARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000084403367 508277540 /nfs/dbraw/zinc/27/75/40/508277540.db2.gz PVHUJELLJLJGLN-INIZCTEOSA-N 0 0 360.366 2.566 50 5 world FFBARN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1NC(=O)OC(C)(C)C ZINC000170614765 509681855 /nfs/dbraw/zinc/68/18/55/509681855.db2.gz GYHCJHVMWUHBGW-ZJUUUORDSA-N 0 0 355.416 2.642 50 5 FFBARN CCOC(=O)CCN(Cc1cccnc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000089983697 520676118 /nfs/dbraw/zinc/67/61/18/520676118.db2.gz QRSJDAMNVZWGSE-UHFFFAOYSA-N 0 0 374.353 2.858 50 5 FFBARN COC(=O)c1cc(C(=O)Nc2cc(OC)ccc2OC)cc([N+](=O)[O-])c1 ZINC000001097968 219368315 /nfs/dbraw/zinc/36/83/15/219368315.db2.gz OKKQTNSXXUKZQW-UHFFFAOYSA-N 0 0 360.322 2.651 50 5 FFBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)O[C@]12CCOC(C)(C)C2 ZINC000001133609 219376562 /nfs/dbraw/zinc/37/65/62/219376562.db2.gz HHSBXLGQZNIDHW-ACJLOTCBSA-N 0 0 362.382 2.733 50 5 FFBARN CC(C)(C)n1nc2c(c1NC(=O)c1ccccc1[N+](=O)[O-])C[S@@](=O)C2 ZINC000002724989 209396902 /nfs/dbraw/zinc/39/69/02/209396902.db2.gz YYEFHZGUHGEGIC-VWLOTQADSA-N 0 0 362.411 2.561 50 5 FFBARN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H](c1cccs1)N(C)C ZINC000046033748 209328426 /nfs/dbraw/zinc/32/84/26/209328426.db2.gz GEXXMJORDPSQJA-ZDUSSCGKSA-N 0 0 369.468 2.546 50 5 FFBARN O=[N+]([O-])c1ccc(NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000100035799 209207874 /nfs/dbraw/zinc/20/78/74/209207874.db2.gz BZLCFQVZHWYEBU-UHFFFAOYSA-N 0 0 364.230 2.758 50 5 FFBARN Cc1cc(Oc2cc(C(=O)NCc3cccnc3)nn2C)ccc1[N+](=O)[O-] ZINC000096203782 209133243 /nfs/dbraw/zinc/13/32/43/209133243.db2.gz BHQGJNPBODXUED-UHFFFAOYSA-N 0 0 367.365 2.754 50 5 FFBARN O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1ccc(Cl)s1 ZINC000003304117 206799788 /nfs/dbraw/zinc/79/97/88/206799788.db2.gz LKTVFXDKVHCEST-UHFFFAOYSA-N 0 0 350.739 2.789 50 5 FFBARN COc1nn(-c2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000002498228 206919234 /nfs/dbraw/zinc/91/92/34/206919234.db2.gz UEMGRLNWFFNKCA-UHFFFAOYSA-N 0 0 355.232 2.858 50 5 FFBARN COc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1[N+](=O)[O-] ZINC000002351205 206910640 /nfs/dbraw/zinc/91/06/40/206910640.db2.gz WZBTWKIMBAEUMM-UHFFFAOYSA-N 0 0 372.377 2.819 50 5 FFBARN CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCCC1 ZINC000003363605 206973002 /nfs/dbraw/zinc/97/30/02/206973002.db2.gz KTYKXJJSGNCKGY-AWEZNQCLSA-N 0 0 353.806 2.625 50 5 FFBARN Cc1cc2c(cc1C)N[C@@H](CC(=O)Nc1ccccc1[N+](=O)[O-])C(=O)N2 ZINC000004189051 207006046 /nfs/dbraw/zinc/00/60/46/207006046.db2.gz ZZYNTRUDMRKKLU-HNNXBMFYSA-N 0 0 354.366 2.973 50 5 FFBARN Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1ccc(Cl)cn1 ZINC000004744829 207045146 /nfs/dbraw/zinc/04/51/46/207045146.db2.gz YAFAKYAQJZMNKN-UHFFFAOYSA-N 0 0 374.582 2.549 50 5 FFBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)OCC(=O)N1CCc2ccccc2C1 ZINC000004870781 207056591 /nfs/dbraw/zinc/05/65/91/207056591.db2.gz DEVFHOLIBHSKAY-CMDGGOBGSA-N 0 0 366.373 2.736 50 5 FFBARN COc1ccc(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1OC ZINC000004905643 207059924 /nfs/dbraw/zinc/05/99/24/207059924.db2.gz OGZFJENZZWGWPM-UHFFFAOYSA-N 0 0 352.368 2.759 50 5 FFBARN CN1CCc2c(sc3c2C(=O)N[C@@H](/C=C\c2cccc([N+](=O)[O-])c2)N3)C1 ZINC000004908500 207061093 /nfs/dbraw/zinc/06/10/93/207061093.db2.gz QOCHASNCRCUSRF-IYKSTZQJSA-N 0 0 370.434 2.839 50 5 FFBARN Cc1cccc(CCNc2c([N+](=O)[O-])nn(-c3cccc(C)c3)[n+]2[O-])c1 ZINC000004922494 207062140 /nfs/dbraw/zinc/06/21/40/207062140.db2.gz QYRKOMPYOKXVDQ-UHFFFAOYSA-N 0 0 353.382 2.685 50 5 FFBARN Cc1ccc(NC(=O)COC(=O)[C@@]2(C)CC2(Cl)Cl)c([N+](=O)[O-])c1 ZINC000005031858 207074316 /nfs/dbraw/zinc/07/43/16/207074316.db2.gz PCEOBFVMNKGCIX-CYBMUJFWSA-N 0 0 361.181 2.969 50 5 FFBARN COc1cc2c(cc1OC)CN(CC(=O)Nc1cccc([N+](=O)[O-])c1)CC2 ZINC000005346188 207095008 /nfs/dbraw/zinc/09/50/08/207095008.db2.gz LDMFRYFOMDOKAM-UHFFFAOYSA-N 0 0 371.393 2.609 50 5 FFBARN CNc1ccc(C(=O)OCC(=O)NCCCc2ccccc2)cc1[N+](=O)[O-] ZINC000005363798 207095626 /nfs/dbraw/zinc/09/56/26/207095626.db2.gz ANZFUKKHVDUOOA-UHFFFAOYSA-N 0 0 371.393 2.542 50 5 FFBARN O=[N+]([O-])/C=C1\CCCN1c1cc(O)c(N2CCC/C2=C\[N+](=O)[O-])cc1O ZINC000005394727 207099035 /nfs/dbraw/zinc/09/90/35/207099035.db2.gz QIQGKOLLASBSOU-WGDLNXRISA-N 0 0 362.342 2.534 50 5 FFBARN O=C1N[C@]2(CCCc3sccc32)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000005679375 207112205 /nfs/dbraw/zinc/11/22/05/207112205.db2.gz QNHOEXRMIFUFGK-KRWDZBQOSA-N 0 0 357.391 2.940 50 5 FFBARN C[C@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1ccc(Cl)c(Cl)c1 ZINC000006119770 207131047 /nfs/dbraw/zinc/13/10/47/207131047.db2.gz ZBRFIFPAOBSBBE-VIFPVBQESA-N 0 0 370.192 2.941 50 5 FFBARN C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1ccc(Cl)c(Cl)c1 ZINC000006119773 207130775 /nfs/dbraw/zinc/13/07/75/207130775.db2.gz ZBRFIFPAOBSBBE-SECBINFHSA-N 0 0 370.192 2.941 50 5 FFBARN NC(=O)c1ccc(SCC(=O)Nc2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000005938073 207123251 /nfs/dbraw/zinc/12/32/51/207123251.db2.gz PLHKAOPGLROYKZ-UHFFFAOYSA-N 0 0 367.333 2.703 50 5 FFBARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000006277875 207136215 /nfs/dbraw/zinc/13/62/15/207136215.db2.gz SOXOBXYELHBCNH-UHFFFAOYSA-N 0 0 363.320 2.974 50 5 FFBARN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CC(=O)Nc1cccc(F)c1 ZINC000006607326 207148941 /nfs/dbraw/zinc/14/89/41/207148941.db2.gz AMZZRCVGOGLVNB-LBPRGKRZSA-N 0 0 374.372 2.631 50 5 FFBARN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc2c(c1)OCCO2 ZINC000006528331 207144614 /nfs/dbraw/zinc/14/46/14/207144614.db2.gz FAIAXBOHCCFEBE-UHFFFAOYSA-N 0 0 373.317 2.590 50 5 FFBARN Cc1ccc(NC(=O)CN(C)CC(=O)Nc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000006862258 207172444 /nfs/dbraw/zinc/17/24/44/207172444.db2.gz HAMWQDKJPDFUTL-UHFFFAOYSA-N 0 0 374.372 2.551 50 5 FFBARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1cccc([N+](=O)[O-])c1 ZINC000007116090 207187579 /nfs/dbraw/zinc/18/75/79/207187579.db2.gz KENHKOBTBRXPQP-LBPRGKRZSA-N 0 0 354.366 2.771 50 5 FFBARN Cc1ccc(O[C@H](C(=O)N2CCOCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000007181265 207189951 /nfs/dbraw/zinc/18/99/51/207189951.db2.gz QGZIMLHSVWPOQZ-SFHVURJKSA-N 0 0 356.378 2.882 50 5 FFBARN O=C(Cc1ccccc1[N+](=O)[O-])OCc1cc(=O)oc2cc(O)ccc12 ZINC000007780906 207207749 /nfs/dbraw/zinc/20/77/49/207207749.db2.gz YFEKUDHUKPEXNH-UHFFFAOYSA-N 0 0 355.302 2.693 50 5 FFBARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000008055585 207217890 /nfs/dbraw/zinc/21/78/90/207217890.db2.gz XCCZXZNJVFGKTM-ZIAGYGMSSA-N 0 0 367.471 2.862 50 5 FFBARN O=C(NCc1ccc2c(c1)OCO2)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000007911653 207211335 /nfs/dbraw/zinc/21/13/35/207211335.db2.gz IBMPZDVNNOKZIW-UHFFFAOYSA-N 0 0 369.377 2.854 50 5 FFBARN COC[C@H](C)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] ZINC000012554228 207391268 /nfs/dbraw/zinc/39/12/68/207391268.db2.gz FPDYGAZLTIMLDD-ZDUSSCGKSA-N 0 0 371.459 2.606 50 5 FFBARN CN(C[C@H]1COc2ccccc2O1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000012553005 207392071 /nfs/dbraw/zinc/39/20/71/207392071.db2.gz AMYPGSFCIIQSPQ-AWEZNQCLSA-N 0 0 371.393 2.695 50 5 FFBARN O=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000012567351 207393857 /nfs/dbraw/zinc/39/38/57/207393857.db2.gz JZTLTBDIWIRNLD-OAHLLOKOSA-N 0 0 369.377 2.756 50 5 FFBARN Cc1c(C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cnn1C ZINC000013297792 207456238 /nfs/dbraw/zinc/45/62/38/207456238.db2.gz PPRLBKFOXSOKEF-SNVBAGLBSA-N 0 0 357.326 2.605 50 5 FFBARN CCOc1ccc(CN(C)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000022309791 207804648 /nfs/dbraw/zinc/80/46/48/207804648.db2.gz NSJBFEHITWUTGM-UHFFFAOYSA-N 0 0 369.377 2.679 50 5 FFBARN O=C(CN1CCO[C@@H](c2ccc(F)cc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000029537940 207994380 /nfs/dbraw/zinc/99/43/80/207994380.db2.gz RKIUHLJQCGPOCZ-QGZVFWFLSA-N 0 0 359.357 2.746 50 5 FFBARN CCCc1nnc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)s1 ZINC000033245936 208076104 /nfs/dbraw/zinc/07/61/04/208076104.db2.gz DESHPTLVVAKZQV-UHFFFAOYSA-N 0 0 358.383 2.837 50 5 FFBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000040073852 208223120 /nfs/dbraw/zinc/22/31/20/208223120.db2.gz OFTDOLLULFXALW-JQWIXIFHSA-N 0 0 373.331 2.525 50 5 FFBARN COc1ccc(C2(CNC(=O)c3ccc([N+](=O)[O-])o3)CCOCC2)cc1 ZINC000049513350 208419436 /nfs/dbraw/zinc/41/94/36/208419436.db2.gz MKEANJBHOXDAJO-UHFFFAOYSA-N 0 0 360.366 2.675 50 5 FFBARN C[C@@H](Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000095468375 209054919 /nfs/dbraw/zinc/05/49/19/209054919.db2.gz BVGFCNDLPJIODT-NXEZZACHSA-N 0 0 364.370 2.818 50 5 FFBARN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCN(c2ccc(F)cc2)CC1 ZINC000002874862 132384313 /nfs/dbraw/zinc/38/43/13/132384313.db2.gz NLLNFHRAAHLQQX-UHFFFAOYSA-N 0 0 374.328 2.605 50 5 FFBARN CCOc1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000003894029 132385850 /nfs/dbraw/zinc/38/58/50/132385850.db2.gz YSILGSXMRAFGOO-UHFFFAOYSA-N 0 0 355.394 2.956 50 5 FFBARN Cc1ccc(Nc2nc(N3C[C@H](C)O[C@@H](C)C3)nc(N)c2[N+](=O)[O-])cc1 ZINC000004305900 132386675 /nfs/dbraw/zinc/38/66/75/132386675.db2.gz MOHGDLGFZCYOFA-RYUDHWBXSA-N 0 0 358.402 2.633 50 5 FFBARN O=C(OCc1cccc(F)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000005708568 132829820 /nfs/dbraw/zinc/82/98/20/132829820.db2.gz AUFPFUSULKJTIB-UHFFFAOYSA-N 0 0 360.341 2.928 50 5 FFBARN O=[N+]([O-])c1ccccc1N1CCN(Cc2nc(-c3ccco3)no2)CC1 ZINC000024831410 132912399 /nfs/dbraw/zinc/91/23/99/132912399.db2.gz FDWIPXFKNCRKMJ-UHFFFAOYSA-N 0 0 355.354 2.560 50 5 FFBARN O=[N+]([O-])c1cccc(N2CCN(CCOc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000051855763 136124169 /nfs/dbraw/zinc/12/41/69/136124169.db2.gz GKSDNAHMJSGPEU-UHFFFAOYSA-N 0 0 372.381 2.704 50 5 FFBARN Cn1c2c(cn3c2c(-c2ccccc2)nc2ccccc23)c(=O)n(C)c1=O ZINC000000804796 506233169 /nfs/dbraw/zinc/23/31/69/506233169.db2.gz WHUMAZOVWRMIPK-UHFFFAOYSA-N 0 0 356.385 2.705 50 5 FFBARN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1nc(-c2c(F)cccc2F)cs1 ZINC000052778285 506248906 /nfs/dbraw/zinc/24/89/06/506248906.db2.gz HEHZHLUMSUYGKW-UHFFFAOYSA-N 0 0 365.321 2.832 50 5 FFBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)O[C@]12CCOC(C)(C)C2 ZINC000001133610 506250259 /nfs/dbraw/zinc/25/02/59/506250259.db2.gz HHSBXLGQZNIDHW-UGSOOPFHSA-N 0 0 362.382 2.733 50 5 FFBARN Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)N[C@H](C)c1ccccc1 ZINC000001506577 506264142 /nfs/dbraw/zinc/26/41/42/506264142.db2.gz HMJWKQGTDWANCX-SECBINFHSA-N 0 0 367.203 2.740 50 5 FFBARN O=C(CC(=O)OCc1ccc([N+](=O)[O-])cc1)OCc1ccc([N+](=O)[O-])cc1 ZINC000001758174 506268642 /nfs/dbraw/zinc/26/86/42/506268642.db2.gz RBVOYZBIDZCDBO-UHFFFAOYSA-N 0 0 374.305 2.680 50 5 FFBARN O=C(Cn1cnc2c3ccccc3nnc2c1=O)c1ccc(Cl)cc1 ZINC000002585207 506283647 /nfs/dbraw/zinc/28/36/47/506283647.db2.gz RVWJERCRAWDQLE-UHFFFAOYSA-N 0 0 350.765 2.876 50 5 FFBARN O=C(COc1cccc(N2CCCC2=O)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000032765139 506291691 /nfs/dbraw/zinc/29/16/91/506291691.db2.gz PXXIBKBSGUZSIM-UHFFFAOYSA-N 0 0 355.350 2.739 50 5 FFBARN CC(C)(C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 ZINC000032770085 506293972 /nfs/dbraw/zinc/29/39/72/506293972.db2.gz WYRVPDQSWXZKCZ-UHFFFAOYSA-N 0 0 354.410 2.616 50 5 FFBARN Cn1nc([N+](=O)[O-])nc1Sc1nn(-c2ccccc2)c(=S)s1 ZINC000002812647 506297041 /nfs/dbraw/zinc/29/70/41/506297041.db2.gz GTWAUJKYNVAJQD-UHFFFAOYSA-N 0 0 352.426 2.851 50 5 FFBARN O=C(COc1cccc([N+](=O)[O-])c1)NCc1ccccc1OC(F)F ZINC000032816486 506298584 /nfs/dbraw/zinc/29/85/84/506298584.db2.gz MQFVMAYENXWAHD-UHFFFAOYSA-N 0 0 352.293 2.891 50 5 FFBARN CCCCn1nnc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)n1 ZINC000002865915 506298919 /nfs/dbraw/zinc/29/89/19/506298919.db2.gz DXEUDVPRLPSOIN-UHFFFAOYSA-N 0 0 356.342 2.894 50 5 FFBARN Cc1cc(C)c([N+](=O)[O-])cc1NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000003315965 506320066 /nfs/dbraw/zinc/32/00/66/506320066.db2.gz UINRBNBKABDEFD-UHFFFAOYSA-N 0 0 368.437 2.972 50 5 FFBARN COc1ccc(C(=O)NC[C@@H](C)N2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000033055399 506328962 /nfs/dbraw/zinc/32/89/62/506328962.db2.gz HSVKWHHSLFHOIM-CYBMUJFWSA-N 0 0 355.394 2.784 50 5 FFBARN C[C@@H](NC(=O)COc1ncnc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000003445157 506332041 /nfs/dbraw/zinc/33/20/41/506332041.db2.gz DHNNSMFJXPLJQL-GFCCVEGCSA-N 0 0 352.350 2.794 50 5 FFBARN CC(C)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O ZINC000004039509 506354370 /nfs/dbraw/zinc/35/43/70/506354370.db2.gz IZSYVWIYRQVJAT-INIZCTEOSA-N 0 0 367.361 2.854 50 5 FFBARN Cc1cccc(N2C(=S)N=NC2CNC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000004059219 506357042 /nfs/dbraw/zinc/35/70/42/506357042.db2.gz ZOTGFFMVUJCTON-UHFFFAOYSA-N 0 0 369.406 2.703 50 5 FFBARN O=C(c1ccc([N+](=O)[O-])cc1)N(c1ccccc1)[C@@H]1C=CS(=O)(=O)C1 ZINC000004159557 506363226 /nfs/dbraw/zinc/36/32/26/506363226.db2.gz BFCKVHXWOYRZPY-MRXNPFEDSA-N 0 0 358.375 2.552 50 5 FFBARN Cc1nn(C)c(C)c1[C@@H](C)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000065901266 506389241 /nfs/dbraw/zinc/38/92/41/506389241.db2.gz FERFMAYABZFBQA-LLVKDONJSA-N 0 0 355.398 2.777 50 5 FFBARN O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc2c(c1)CCN2 ZINC000036092330 506397223 /nfs/dbraw/zinc/39/72/23/506397223.db2.gz YEBBTYSAEBBHFJ-UHFFFAOYSA-N 0 0 366.421 2.568 50 5 FFBARN CN(CCc1ccccn1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000007716398 506584255 /nfs/dbraw/zinc/58/42/55/506584255.db2.gz BWNRKSQXVYBLFD-UHFFFAOYSA-N 0 0 355.803 2.506 50 5 FFBARN NC(=O)[C@H]1CCCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000008053555 506617165 /nfs/dbraw/zinc/61/71/65/506617165.db2.gz WROCKIVVNDNUMB-HNNXBMFYSA-N 0 0 353.378 2.528 50 5 FFBARN COc1ccc(N2C[C@@H](C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2=O)cc1 ZINC000008816495 506670996 /nfs/dbraw/zinc/67/09/96/506670996.db2.gz KEWATXXRMVKPEP-ZDUSSCGKSA-N 0 0 369.377 2.903 50 5 FFBARN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCCCOc1ccccc1 ZINC000009220960 506687629 /nfs/dbraw/zinc/68/76/29/506687629.db2.gz JANUOIVHRJBGFB-UHFFFAOYSA-N 0 0 365.411 2.513 50 5 FFBARN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccnn1C1CCCC1 ZINC000014231085 506979917 /nfs/dbraw/zinc/97/99/17/506979917.db2.gz WCRAITNKHQEMMW-UHFFFAOYSA-N 0 0 371.397 2.665 50 5 FFBARN CCOC(=O)[C@@H]1CCCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000015402202 507038439 /nfs/dbraw/zinc/03/84/39/507038439.db2.gz XZLSFBUSSPXDLM-GXTWGEPZSA-N 0 0 374.397 2.981 50 5 FFBARN C[C@@H]1CN(C(=S)SCC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000015935283 507067011 /nfs/dbraw/zinc/06/70/11/507067011.db2.gz KHKFASHXUMOSLQ-PHIMTYICSA-N 0 0 354.453 2.905 50 5 FFBARN O=[N+]([O-])c1ccccc1OS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000016090202 507072166 /nfs/dbraw/zinc/07/21/66/507072166.db2.gz VKWHPDNLBURWQJ-UHFFFAOYSA-N 0 0 351.336 2.524 50 5 FFBARN Cn1ccnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000018236575 507145914 /nfs/dbraw/zinc/14/59/14/507145914.db2.gz BUOVZHWYFYGZGW-MRXNPFEDSA-N 0 0 354.341 2.987 50 5 FFBARN COc1ccc(-c2nnc(COC(=O)c3ccc(N)c([N+](=O)[O-])c3)o2)cc1 ZINC000018321739 507147953 /nfs/dbraw/zinc/14/79/53/507147953.db2.gz CYDOWTOBRJZYEV-UHFFFAOYSA-N 0 0 370.321 2.593 50 5 FFBARN O=C(COc1ccccc1[N+](=O)[O-])NCCOc1ccc(Cl)cc1 ZINC000021904402 507274597 /nfs/dbraw/zinc/27/45/97/507274597.db2.gz MSHYRDWMKCDFTL-UHFFFAOYSA-N 0 0 350.758 2.822 50 5 FFBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C(=O)CSc2ccccc21 ZINC000022864238 507317688 /nfs/dbraw/zinc/31/76/88/507317688.db2.gz NOSNMTCLTCSEGU-UHFFFAOYSA-N 0 0 357.391 2.981 50 5 FFBARN Cc1ccccc1CNC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000023077865 507328377 /nfs/dbraw/zinc/32/83/77/507328377.db2.gz DYFBTCZRXPAWPF-UHFFFAOYSA-N 0 0 355.394 2.670 50 5 FFBARN Cc1cc(NCc2cccc(C(=O)N3CCOCC3)c2)ccc1[N+](=O)[O-] ZINC000058192485 507382165 /nfs/dbraw/zinc/38/21/65/507382165.db2.gz HJGKLNUQVSBRRP-UHFFFAOYSA-N 0 0 355.394 2.988 50 5 FFBARN C[C@H]1c2ccsc2CCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000025382227 507496531 /nfs/dbraw/zinc/49/65/31/507496531.db2.gz LEODFIQMFALFQX-NSHDSACASA-N 0 0 369.406 2.997 50 5 FFBARN CCOC(=O)c1cc(C(=O)N(Cc2cccnc2)C2CC2)cc([N+](=O)[O-])c1 ZINC000028515535 507729742 /nfs/dbraw/zinc/72/97/42/507729742.db2.gz NAOIXFFLIHCPPV-UHFFFAOYSA-N 0 0 369.377 2.971 50 5 FFBARN CC[C@H]1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000029524454 507780836 /nfs/dbraw/zinc/78/08/36/507780836.db2.gz NLJREYZGDKFHRI-VIFPVBQESA-N 0 0 368.333 2.504 50 5 FFBARN NC(=O)[C@@H]1CCCCC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000079097522 507933331 /nfs/dbraw/zinc/93/33/31/507933331.db2.gz DVTUJJVOABWDJI-ZYHUDNBSSA-N 0 0 354.794 2.804 50 5 FFBARN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCOc3ccccc32)cc1F ZINC000095978663 508200155 /nfs/dbraw/zinc/20/01/55/508200155.db2.gz KHUCZWVKZXSASB-CYBMUJFWSA-N 0 0 352.343 2.536 50 5 FFBARN O=C1[C@@H]2ON=C(c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1ccccc1Cl ZINC000103889824 508323760 /nfs/dbraw/zinc/32/37/60/508323760.db2.gz HQLLCKYHWPVNOU-DZGCQCFKSA-N 0 0 371.736 2.541 50 5 FFBARN COc1ccc(C(=O)Cn2cc(-c3cccc([N+](=O)[O-])c3)n(C)c2=N)cc1 ZINC000334157618 523596302 /nfs/dbraw/zinc/59/63/02/523596302.db2.gz UEDNHHHRZARDTA-UHFFFAOYSA-N 0 0 366.377 2.773 50 5 FFBARN O=C(/C=C\c1ccccc1[N+](=O)[O-])OCC(=O)N1CCc2ccccc21 ZINC000033827461 985631721 /nfs/dbraw/zinc/63/17/21/985631721.db2.gz MPRZPTQWFGTDFU-KTKRTIGZSA-N 0 0 352.346 2.741 50 5 FFBARN O=C(/C=C\c1ccc(-c2ccccc2[N+](=O)[O-])s1)N1CCNC(=O)CC1 ZINC000222163865 1009092895 /nfs/dbraw/zinc/09/28/95/1009092895.db2.gz CHPSOOLJPOXEIR-VURMDHGXSA-N 0 0 371.418 2.685 50 5 FFBARN COC(=O)c1cc([N+](=O)[O-])ccc1N(C)C[C@@H]1COc2ccccc2O1 ZINC000030681975 209841238 /nfs/dbraw/zinc/84/12/38/209841238.db2.gz XSBUFIAMLWSYMF-CYBMUJFWSA-N 0 0 358.350 2.658 50 5 FFBARN CN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000024947005 209721678 /nfs/dbraw/zinc/72/16/78/209721678.db2.gz HMKKTTNLVOJIOD-UHFFFAOYSA-N 0 0 367.361 2.520 50 5 FFBARN CC(C)(C)n1nc2c(c1NC(=O)c1cccc([N+](=O)[O-])c1)C[S@@](=O)C2 ZINC000002724993 209396668 /nfs/dbraw/zinc/39/66/68/209396668.db2.gz RMPIYPDSERDBCR-VWLOTQADSA-N 0 0 362.411 2.561 50 5 FFBARN COc1cccc(C2=Nc3nnnn3[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000101130733 209222251 /nfs/dbraw/zinc/22/22/51/209222251.db2.gz XDISNZCHMFENGK-INIZCTEOSA-N 0 0 350.338 2.646 50 5 FFBARN CC1=NN(c2ccccc2)C(=O)[C@H]1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000100149385 209209805 /nfs/dbraw/zinc/20/98/05/209209805.db2.gz IMURLUBIDTVTPB-OAHLLOKOSA-N 0 0 368.305 2.725 50 5 FFBARN O=C(CCc1ccccc1)NCCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000096278043 209148310 /nfs/dbraw/zinc/14/83/10/209148310.db2.gz YTFLYJWAINJWNE-UHFFFAOYSA-N 0 0 366.377 2.936 50 5 FFBARN O=C(c1ccc([N+](=O)[O-])cc1)N1NC2=C(CCCC2)[C@]1(O)C(F)(F)F ZINC000004725162 207042130 /nfs/dbraw/zinc/04/21/30/207042130.db2.gz KVXMFALNGFOCRG-FZMZJTMJSA-N 0 0 357.288 2.848 50 5 FFBARN C[C@H]1C[C@H](C)CN(c2c([N+](=O)[O-])nn(-c3ccc(Cl)cc3)[n+]2[O-])C1 ZINC000004923131 207062372 /nfs/dbraw/zinc/06/23/72/207062372.db2.gz ATULDVMPMCBUKH-QWRGUYRKSA-N 0 0 351.794 2.550 50 5 FFBARN Cc1ccc(OCC(=O)N[C@H](C)c2ccc(F)cc2F)c([N+](=O)[O-])n1 ZINC000004891735 207059274 /nfs/dbraw/zinc/05/92/74/207059274.db2.gz CUFULODRDMTMSL-SNVBAGLBSA-N 0 0 351.309 2.833 50 5 FFBARN CN(Cc1ccccc1)c1nc(N)c([N+](=O)[O-])c(NCc2ccco2)n1 ZINC000005030856 207074397 /nfs/dbraw/zinc/07/43/97/207074397.db2.gz CCZORQRRQQYFSD-UHFFFAOYSA-N 0 0 354.370 2.809 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1c(F)cccc1F ZINC000005536003 207104976 /nfs/dbraw/zinc/10/49/76/207104976.db2.gz UFVRNKBBXQRNAY-UHFFFAOYSA-N 0 0 366.276 2.677 50 5 FFBARN CCOC(=O)c1c(C)[nH]c(C(=O)COc2ccc(C)nc2[N+](=O)[O-])c1C ZINC000005688784 207111658 /nfs/dbraw/zinc/11/16/58/207111658.db2.gz HAXOKKDJIKSTAW-UHFFFAOYSA-N 0 0 361.354 2.682 50 5 FFBARN Cc1ccc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2NCCO)c(C)c1 ZINC000005688236 207111942 /nfs/dbraw/zinc/11/19/42/207111942.db2.gz VJQCNYCHCKFWMZ-UHFFFAOYSA-N 0 0 372.377 2.656 50 5 FFBARN O=C(COC(=O)c1ccccc1O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000005754021 207115333 /nfs/dbraw/zinc/11/53/33/207115333.db2.gz YEAYTLQCQCKJDW-UHFFFAOYSA-N 0 0 350.714 2.749 50 5 FFBARN CCN(Cc1ccc2c(c1)OCO2)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000007889618 207210286 /nfs/dbraw/zinc/21/02/86/207210286.db2.gz SHDQXWAWZCMMPL-UHFFFAOYSA-N 0 0 358.350 2.751 50 5 FFBARN Cn1nnnc1Sc1ccc(C(=O)Nc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000008132370 207220870 /nfs/dbraw/zinc/22/08/70/207220870.db2.gz RTGOBKTYVLCRQF-UHFFFAOYSA-N 0 0 374.357 2.661 50 5 FFBARN CCOc1ccc(C(C)C)cc1S(=O)(=O)n1c(C)ncc1[N+](=O)[O-] ZINC000008132595 207221156 /nfs/dbraw/zinc/22/11/56/207221156.db2.gz XGTFZHBTEUYCSG-UHFFFAOYSA-N 0 0 353.400 2.859 50 5 FFBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(C(=O)c2ccco2)CC1 ZINC000008246457 207225447 /nfs/dbraw/zinc/22/54/47/207225447.db2.gz GCUDZHASKIFOOV-UHFFFAOYSA-N 0 0 357.366 2.987 50 5 FFBARN COc1ccc(N2C[C@@H](C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)CC2=O)cc1 ZINC000008473888 207233247 /nfs/dbraw/zinc/23/32/47/207233247.db2.gz GHARDRZHASZXPZ-NSHDSACASA-N 0 0 373.340 2.734 50 5 FFBARN COc1ccc(N2C[C@@H](C(=O)Nc3ccc(C)cc3[N+](=O)[O-])CC2=O)cc1 ZINC000009226938 207262718 /nfs/dbraw/zinc/26/27/18/207262718.db2.gz IVXYRPXXHODXQU-ZDUSSCGKSA-N 0 0 369.377 2.903 50 5 FFBARN CCOc1ccccc1CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000009457828 207272331 /nfs/dbraw/zinc/27/23/31/207272331.db2.gz URNKMGNTWLAPGN-IBGZPJMESA-N 0 0 369.377 2.961 50 5 FFBARN NC(=O)c1ccc(CSc2nc3cc(Cl)cnc3[nH]2)c([N+](=O)[O-])c1 ZINC000009318681 207266385 /nfs/dbraw/zinc/26/63/85/207266385.db2.gz LSSLCUJMMIRWBO-UHFFFAOYSA-N 0 0 363.786 2.911 50 5 FFBARN COc1cc(SC)ccc1C(=O)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000009689962 207281641 /nfs/dbraw/zinc/28/16/41/207281641.db2.gz PECWJWVZBKLNIK-OAHLLOKOSA-N 0 0 362.407 2.789 50 5 FFBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccccc1N1CCCC1=O ZINC000009653704 207280492 /nfs/dbraw/zinc/28/04/92/207280492.db2.gz IWTLPEAYOJQGOC-UHFFFAOYSA-N 0 0 355.350 2.739 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1Cn1cccn1 ZINC000010235190 207298143 /nfs/dbraw/zinc/29/81/43/207298143.db2.gz XFOFGADEXKVHEY-UHFFFAOYSA-N 0 0 366.377 2.778 50 5 FFBARN COCCNc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1[N+](=O)[O-] ZINC000012545187 207392526 /nfs/dbraw/zinc/39/25/26/207392526.db2.gz LZOXDKGSAQMFPI-UHFFFAOYSA-N 0 0 362.411 2.851 50 5 FFBARN O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000013723545 207480288 /nfs/dbraw/zinc/48/02/88/207480288.db2.gz SYZQGMJVPUYTFQ-CQSZACIVSA-N 0 0 351.366 2.657 50 5 FFBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1cccc(S(C)(=O)=O)c1 ZINC000015179443 207547233 /nfs/dbraw/zinc/54/72/33/207547233.db2.gz DCRFUJZGYBXJQO-LBPRGKRZSA-N 0 0 362.407 2.832 50 5 FFBARN Cc1c(CSc2nnc(SCC(N)=O)s2)cccc1[N+](=O)[O-] ZINC000040127510 207968358 /nfs/dbraw/zinc/96/83/58/207968358.db2.gz YLCDIUMHXXVTNU-UHFFFAOYSA-N 0 0 356.454 2.624 50 5 FFBARN Cc1nc2ccccc2nc1COC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000032724218 208036891 /nfs/dbraw/zinc/03/68/91/208036891.db2.gz RSEKPHUXUCEDDB-UHFFFAOYSA-N 0 0 367.317 2.932 50 5 FFBARN CCc1sc(C(=O)NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1C ZINC000032809359 208045526 /nfs/dbraw/zinc/04/55/26/208045526.db2.gz RKSWANONENEVIU-UHFFFAOYSA-N 0 0 373.434 2.846 50 5 FFBARN Cc1nc(-c2c[nH]c(C(=O)NC[C@H](O)c3ccc([N+](=O)[O-])cc3)c2)cs1 ZINC000040012862 208217719 /nfs/dbraw/zinc/21/77/19/208217719.db2.gz UYKKSYIMAXUXAH-INIZCTEOSA-N 0 0 372.406 2.818 50 5 FFBARN O=C(NCc1ccncc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000047698835 208382159 /nfs/dbraw/zinc/38/21/59/208382159.db2.gz KUVAXTSDGONTMT-UHFFFAOYSA-N 0 0 355.272 2.861 50 5 FFBARN CCCc1nc2c3ccccc3n(Cc3ccc([N+](=O)[O-])cc3)c(=O)n2n1 ZINC000065535127 208689767 /nfs/dbraw/zinc/68/97/67/208689767.db2.gz SYMWSDIQOZVJDT-UHFFFAOYSA-N 0 0 363.377 2.953 50 5 FFBARN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000095452359 209052195 /nfs/dbraw/zinc/05/21/95/209052195.db2.gz VYUGUCGNBOJKJI-LBPRGKRZSA-N 0 0 366.324 2.737 50 5 FFBARN CCOc1cc(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)ccn1 ZINC000095451650 209052418 /nfs/dbraw/zinc/05/24/18/209052418.db2.gz NMKYRDGOQAXOGX-UHFFFAOYSA-N 0 0 352.350 2.867 50 5 FFBARN O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=C2Sc1nc2ccccc2o1 ZINC000095481803 209060203 /nfs/dbraw/zinc/06/02/03/209060203.db2.gz OXMGWYNUZAYXBM-UHFFFAOYSA-N 0 0 361.360 2.977 50 5 FFBARN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC(Oc2ccccc2)CC1 ZINC000095954947 209089534 /nfs/dbraw/zinc/08/95/34/209089534.db2.gz GRQRGIVRUUSRGJ-UHFFFAOYSA-N 0 0 369.377 2.603 50 5 FFBARN O=Cc1ccc(OCCCN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000004038387 132386177 /nfs/dbraw/zinc/38/61/77/132386177.db2.gz WFUWFTLMVVZELM-UHFFFAOYSA-N 0 0 369.421 2.998 50 5 FFBARN O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1ccc([N+](=O)[O-])o1 ZINC000006045134 132831189 /nfs/dbraw/zinc/83/11/89/132831189.db2.gz XFSFWWPXAZJQDQ-UHFFFAOYSA-N 0 0 351.746 2.930 50 5 FFBARN O=C(CN1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCCCCCC1 ZINC000057355158 136128706 /nfs/dbraw/zinc/12/87/06/136128706.db2.gz MLBQKWJJSKHBOL-UHFFFAOYSA-N 0 0 360.458 2.510 50 5 FFBARN COC(=O)c1ccc2[nH]c3c(c2c1)CN(c1ccc([N+](=O)[O-])cn1)CC3 ZINC000026725274 136153300 /nfs/dbraw/zinc/15/33/00/136153300.db2.gz MQELOSKUXLSQNI-UHFFFAOYSA-N 0 0 352.350 2.820 50 5 FFBARN COc1ccc(OC)c(/C=C2/N=C(c3cccc([N+](=O)[O-])c3)OC2=O)c1 ZINC000000725778 506230065 /nfs/dbraw/zinc/23/00/65/506230065.db2.gz KCAMUKFRTFFPAJ-XNTDXEJSSA-N 0 0 354.318 2.957 50 5 FFBARN O=C(NC(NC(=O)c1ccco1)c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000000872575 506237060 /nfs/dbraw/zinc/23/70/60/506237060.db2.gz AXUMSHZHMQTPNE-UHFFFAOYSA-N 0 0 355.306 2.639 50 5 FFBARN COC(=O)c1sc2ncn(Cc3ccc([N+](=O)[O-])cc3)c(=O)c2c1C ZINC000000955583 506239803 /nfs/dbraw/zinc/23/98/03/506239803.db2.gz UKZXFKFHGRHDDC-UHFFFAOYSA-N 0 0 359.363 2.510 50 5 FFBARN CCOc1ccc(C(=O)NC(=S)Nc2ncccc2C)cc1[N+](=O)[O-] ZINC000001173619 506251800 /nfs/dbraw/zinc/25/18/00/506251800.db2.gz SMQOWIWVCZOOCH-UHFFFAOYSA-N 0 0 360.395 2.824 50 5 FFBARN CC(C)(C)NC(=O)c1ccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 ZINC000001234949 506256171 /nfs/dbraw/zinc/25/61/71/506256171.db2.gz POSONQNTXRJMNC-UHFFFAOYSA-N 0 0 367.361 2.924 50 5 FFBARN CCOC(=O)C1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000001226953 506256496 /nfs/dbraw/zinc/25/64/96/506256496.db2.gz PHTAMBMUQWHXLX-HNNXBMFYSA-N 0 0 356.334 2.558 50 5 FFBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000032517160 506262135 /nfs/dbraw/zinc/26/21/35/506262135.db2.gz SPGKJOODEJZMOS-UHFFFAOYSA-N 0 0 364.361 2.761 50 5 FFBARN O=C(Nc1cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2oc1=O)c1ccccc1 ZINC000001836988 506268514 /nfs/dbraw/zinc/26/85/14/506268514.db2.gz XVDZVGBBYMTCCL-UHFFFAOYSA-N 0 0 355.262 2.862 50 5 FFBARN CC(=O)NC1=NN(C(C)=O)[C@@H](/C(Cl)=C/c2ccc([N+](=O)[O-])cc2)S1 ZINC000002461330 506279139 /nfs/dbraw/zinc/27/91/39/506279139.db2.gz QCPYVXRTLMRYOQ-FFXRNRBCSA-N 0 0 368.802 2.503 50 5 FFBARN COc1ccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])o2)cc1Cl ZINC000002653721 506286893 /nfs/dbraw/zinc/28/68/93/506286893.db2.gz ZDNUXKIAIPOJLN-UHFFFAOYSA-N 0 0 354.702 2.645 50 5 FFBARN CCCCc1nnc(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)s1 ZINC000002878030 506300326 /nfs/dbraw/zinc/30/03/26/506300326.db2.gz PPDGBFXPYPAQNK-UHFFFAOYSA-N 0 0 364.383 2.828 50 5 FFBARN O=C(COC(=O)c1ccccc1O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000003272206 506316551 /nfs/dbraw/zinc/31/65/51/506316551.db2.gz XONNYADLVZKXKQ-UHFFFAOYSA-N 0 0 350.714 2.749 50 5 FFBARN O=C(COc1ccc([N+](=O)[O-])cc1Cl)NCc1ccc2c(c1)OCO2 ZINC000003438403 506331092 /nfs/dbraw/zinc/33/10/92/506331092.db2.gz CKEFQPSGJJAQPR-UHFFFAOYSA-N 0 0 364.741 2.672 50 5 FFBARN Cc1c(Cl)cccc1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000003598598 506346486 /nfs/dbraw/zinc/34/64/86/506346486.db2.gz BCKONWLSTKTEDD-UHFFFAOYSA-N 0 0 373.752 2.791 50 5 FFBARN O=C(NCc1cccnc1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12 ZINC000035870208 506390389 /nfs/dbraw/zinc/39/03/89/506390389.db2.gz QVBRSFIHSOHDHL-PKOBYXMFSA-N 0 0 366.421 2.837 50 5 FFBARN COc1cccc(OC)c1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004834802 506397700 /nfs/dbraw/zinc/39/77/00/506397700.db2.gz AWRHXWVOFFFZQX-UHFFFAOYSA-N 0 0 371.393 2.574 50 5 FFBARN O=[N+]([O-])c1ccc(N2CCN(c3ccccc3)CC2)cc1N1CCOCC1 ZINC000004846217 506398314 /nfs/dbraw/zinc/39/83/14/506398314.db2.gz ZOVMAGGGZXUKOZ-UHFFFAOYSA-N 0 0 368.437 2.758 50 5 FFBARN Cc1ccnc(NC(=O)c2cccn(Cc3cccc([N+](=O)[O-])c3)c2=O)c1 ZINC000005270784 506432383 /nfs/dbraw/zinc/43/23/83/506432383.db2.gz LHSHIAZEECHMHY-UHFFFAOYSA-N 0 0 364.361 2.761 50 5 FFBARN COCCNC(=O)c1cc2c3ccccc3n3c2c(n1)c1ccccc1c3=O ZINC000006624645 506492576 /nfs/dbraw/zinc/49/25/76/506492576.db2.gz UGOULPOSCLJGAK-UHFFFAOYSA-N 0 0 371.396 2.968 50 5 biogenic FFBARN Cc1cccc(NC(=O)c2ccc(=O)n(Cc3cccc([N+](=O)[O-])c3)c2)n1 ZINC000010187975 506730283 /nfs/dbraw/zinc/73/02/83/506730283.db2.gz AYYRYXXQJOCBIY-UHFFFAOYSA-N 0 0 364.361 2.761 50 5 FFBARN CN1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000055428173 506751034 /nfs/dbraw/zinc/75/10/34/506751034.db2.gz SEAXFCHRQRVESK-LJQANCHMSA-N 0 0 368.437 2.912 50 5 FFBARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000012634337 506888213 /nfs/dbraw/zinc/88/82/13/506888213.db2.gz XCCZXZNJVFGKTM-OKILXGFUSA-N 0 0 367.471 2.862 50 5 FFBARN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Oc1cc(F)ccc1[N+](=O)[O-] ZINC000055949836 506894273 /nfs/dbraw/zinc/89/42/73/506894273.db2.gz LARNJDAPYODIAK-UHFFFAOYSA-N 0 0 356.287 2.718 50 5 FFBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000012809674 506906698 /nfs/dbraw/zinc/90/66/98/506906698.db2.gz CXMWBGQGKLQZEH-NSHDSACASA-N 0 0 355.350 2.759 50 5 FFBARN CCOC(=O)c1cc(C(=O)Nn2cnc3ccccc32)cc([N+](=O)[O-])c1 ZINC000012939483 506918275 /nfs/dbraw/zinc/91/82/75/506918275.db2.gz RRQWZKFVZPOEJE-UHFFFAOYSA-N 0 0 354.322 2.505 50 5 FFBARN C[C@@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H](c2ccccc2)O1 ZINC000067892945 507042793 /nfs/dbraw/zinc/04/27/93/507042793.db2.gz XZLZALHDVCQLTG-CXAGYDPISA-N 0 0 369.377 2.522 50 5 FFBARN Cn1c2cn(C3CCCC3)c(-c3cccc([N+](=O)[O-])c3)c2c(=O)n(C)c1=O ZINC000020443314 507222651 /nfs/dbraw/zinc/22/26/51/507222651.db2.gz DVDSHGKOLZDTRM-UHFFFAOYSA-N 0 0 368.393 2.729 50 5 FFBARN CCN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000022278748 507287069 /nfs/dbraw/zinc/28/70/69/507287069.db2.gz MKLLSHAZYSTIAX-UHFFFAOYSA-N 0 0 364.379 2.534 50 5 FFBARN O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000023106147 507329606 /nfs/dbraw/zinc/32/96/06/507329606.db2.gz KRUFHHHMHPBVPB-GOSISDBHSA-N 0 0 373.384 2.537 50 5 FFBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCc1cccnc1 ZINC000023875322 507377723 /nfs/dbraw/zinc/37/77/23/507377723.db2.gz BELFQLPHFHFENZ-UHFFFAOYSA-N 0 0 357.413 2.909 50 5 FFBARN CCOc1ccc(C(=O)Nc2cc(C(=O)NC)ccc2C)cc1[N+](=O)[O-] ZINC000024921794 507449021 /nfs/dbraw/zinc/44/90/21/507449021.db2.gz KJKVWOPDBPLWJY-UHFFFAOYSA-N 0 0 357.366 2.914 50 5 FFBARN O=C1N[C@H](c2cc3c(cc2[N+](=O)[O-])OCCO3)Nc2ccc(Cl)cc21 ZINC000063499418 507738808 /nfs/dbraw/zinc/73/88/08/507738808.db2.gz VFFQQHZPSCWYLN-OAHLLOKOSA-N 0 0 361.741 2.874 50 5 FFBARN O=C(NCCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Nc1ccccc1 ZINC000029251003 507771305 /nfs/dbraw/zinc/77/13/05/507771305.db2.gz CZMAMGLNPOMDIE-UHFFFAOYSA-N 0 0 354.366 2.696 50 5 FFBARN CCc1nnc(NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)s1 ZINC000031874922 507822187 /nfs/dbraw/zinc/82/21/87/507822187.db2.gz DCNBAHQDYGLQOQ-UHFFFAOYSA-N 0 0 368.440 2.889 50 5 FFBARN C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](c2ccccc2)O1 ZINC000107135321 507835772 /nfs/dbraw/zinc/83/57/72/507835772.db2.gz UHSCZITXVCPKMP-GUYCJALGSA-N 0 0 362.407 2.746 50 5 FFBARN O=C(/C=C\c1ccccc1[N+](=O)[O-])NCc1cccc(Cn2cncn2)c1 ZINC000097220116 508221955 /nfs/dbraw/zinc/22/19/55/508221955.db2.gz HVZMERIJTJIVOZ-HJWRWDBZSA-N 0 0 363.377 2.564 50 5 FFBARN COc1ccc(OC)c2c1s/c(=N\C(=O)c1cccc([N+](=O)[O-])c1)n2C ZINC000100908634 508240453 /nfs/dbraw/zinc/24/04/53/508240453.db2.gz HSODIBXXDHOFII-ZCXUNETKSA-N 0 0 373.390 2.906 50 5 FFBARN COc1cc(CCO)cc(OC)c1OCCOc1cccc([N+](=O)[O-])c1 ZINC000225655198 509383015 /nfs/dbraw/zinc/38/30/15/509383015.db2.gz DDGCOSJNIKCRJB-UHFFFAOYSA-N 0 0 363.366 2.605 50 5 FFBARN O=C(NCCNc1ccc2cc(F)cc([N+](=O)[O-])c2n1)c1ccc(O)cc1 ZINC000170601993 509677201 /nfs/dbraw/zinc/67/72/01/509677201.db2.gz UAZLGTZSQAVGTG-UHFFFAOYSA-N 0 0 370.340 2.830 50 5 FFBARN CCCN(C[C@@H]1CCCCO1)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000170622598 509683503 /nfs/dbraw/zinc/68/35/03/509683503.db2.gz JMCHSPDNPGUQQM-HNNXBMFYSA-N 0 0 373.413 2.597 50 5 FFBARN Cc1ccc2cc(CCNC(=O)c3ccccc3[N+](=O)[O-])c(=O)[nH]c2c1 ZINC000003911718 518189979 /nfs/dbraw/zinc/18/99/79/518189979.db2.gz DYQMCODUMQZGMH-UHFFFAOYSA-N 0 0 351.362 2.717 50 5 FFBARN O=C(CC1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1)N1CCCC1 ZINC000048272399 570939821 /nfs/dbraw/zinc/93/98/21/570939821.db2.gz QXJADYACVFXLFN-UHFFFAOYSA-N 0 0 371.441 2.627 50 5 FFBARN CN(C)c1ccc(NC(=O)COC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1 ZINC000033603598 990477232 /nfs/dbraw/zinc/47/72/32/990477232.db2.gz QNTNSOUSWAUHGV-XGICHPGQSA-N 0 0 369.377 2.856 50 5 FFBARN C[C@H](OC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000229744083 209873686 /nfs/dbraw/zinc/87/36/86/209873686.db2.gz ZINVDDQTRNQZSD-OXJKWZBOSA-N 0 0 363.414 2.663 50 5 FFBARN Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1ccc(Br)c(C)c1 ZINC000001070960 219364068 /nfs/dbraw/zinc/36/40/68/219364068.db2.gz AXASLNUNYSXWDS-UHFFFAOYSA-N 0 0 353.176 2.809 50 5 FFBARN CC(C)OC(=O)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000001117002 219372300 /nfs/dbraw/zinc/37/23/00/219372300.db2.gz MQYJZTXJAZGQEP-UHFFFAOYSA-N 0 0 354.318 2.961 50 5 FFBARN O=C(Oc1ccc(C(=S)N2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000001161201 219383489 /nfs/dbraw/zinc/38/34/89/219383489.db2.gz RWKZAWVAQIYASM-UHFFFAOYSA-N 0 0 372.402 2.822 50 5 FFBARN CCNC(=O)COc1ccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])cc1 ZINC000025647524 209741318 /nfs/dbraw/zinc/74/13/18/209741318.db2.gz FGWPOPBUMXLTKG-UHFFFAOYSA-N 0 0 357.366 2.670 50 5 FFBARN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H](c1cccs1)N(C)C ZINC000046033749 209329234 /nfs/dbraw/zinc/32/92/34/209329234.db2.gz GEXXMJORDPSQJA-CYBMUJFWSA-N 0 0 369.468 2.546 50 5 FFBARN COc1cc([N+](=O)[O-])cc2cc(C(=O)N3C[C@H](C)C[C@H](C)C3)c(=O)oc21 ZINC000016425500 220183543 /nfs/dbraw/zinc/18/35/43/220183543.db2.gz ZGSQUCDIWPUGLR-PHIMTYICSA-N 0 0 360.366 2.828 50 5 FFBARN CC1=C(C(=O)O[C@H]2CCC[C@@H]2C)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 ZINC000000725262 206828291 /nfs/dbraw/zinc/82/82/91/206828291.db2.gz BQRURLIZQQYDGS-JMPLFQLZSA-N 0 0 359.382 2.955 50 5 FFBARN Cc1ccc(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1C ZINC000000850454 206840370 /nfs/dbraw/zinc/84/03/70/206840370.db2.gz DBYOOKVCRCHKQD-UHFFFAOYSA-N 0 0 367.361 2.836 50 5 FFBARN COC(=O)C1=CN(C(C)C)C=C(C(=O)OC)C1c1ccc([N+](=O)[O-])cc1 ZINC000002797120 206935629 /nfs/dbraw/zinc/93/56/29/206935629.db2.gz MFTGCBMUTMFHIA-UHFFFAOYSA-N 0 0 360.366 2.516 50 5 FFBARN C[C@@H](Oc1ccccc1)C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000002658735 206926533 /nfs/dbraw/zinc/92/65/33/206926533.db2.gz OVTAKIKSRJRFSS-GFCCVEGCSA-N 0 0 359.334 2.972 50 5 FFBARN CCn1ncc(Cl)c1C(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1C ZINC000002776306 206932865 /nfs/dbraw/zinc/93/28/65/206932865.db2.gz MBQTWFDNWYMKTA-UHFFFAOYSA-N 0 0 367.818 2.900 50 5 FFBARN CCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O ZINC000004084443 207000227 /nfs/dbraw/zinc/00/02/27/207000227.db2.gz XPKLYLBVBLYOJW-UHFFFAOYSA-N 0 0 354.318 2.962 50 5 FFBARN CCOc1ccc(NC(=O)C[C@H]2Nc3ccccc3NC2=O)c([N+](=O)[O-])c1 ZINC000004047444 206999046 /nfs/dbraw/zinc/99/90/46/206999046.db2.gz YZAXUUWFRMKAPT-OAHLLOKOSA-N 0 0 370.365 2.755 50 5 FFBARN COc1ccc(CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)cc1F ZINC000004477681 207021222 /nfs/dbraw/zinc/02/12/22/207021222.db2.gz AWVOUIINTTYJKJ-SFHVURJKSA-N 0 0 373.340 2.710 50 5 FFBARN CC(C)N1c2ccccc2[C@](O)(CC(=O)c2ccccc2[N+](=O)[O-])C1=O ZINC000004554713 207028449 /nfs/dbraw/zinc/02/84/49/207028449.db2.gz MLUFEVAIXPEVKF-LJQANCHMSA-N 0 0 354.362 2.810 50 5 FFBARN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccn(C23CC4CC(CC(C4)C2)C3)n1 ZINC000004652283 207033899 /nfs/dbraw/zinc/03/38/99/207033899.db2.gz DIEAZPWXGZYEBL-UHFFFAOYSA-N 0 0 370.413 2.552 50 5 FFBARN Cc1[nH][nH]c(=O)c1C(c1c(C)[nH][nH]c1=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004678091 207036319 /nfs/dbraw/zinc/03/63/19/207036319.db2.gz SMNMURMFSLUFNH-UHFFFAOYSA-N 0 0 363.761 2.903 50 5 FFBARN O=C(CCC(=O)Nc1ccccc1[N+](=O)[O-])Nc1ccccc1[N+](=O)[O-] ZINC000004670511 207037376 /nfs/dbraw/zinc/03/73/76/207037376.db2.gz RURNYMLMBDZRRX-UHFFFAOYSA-N 0 0 358.310 2.860 50 5 FFBARN CSc1ccc(C(=O)NC[C@H]2COc3ccccc3O2)cc1[N+](=O)[O-] ZINC000005630941 207109753 /nfs/dbraw/zinc/10/97/53/207109753.db2.gz YOMNNYBIAGAOGQ-LBPRGKRZSA-N 0 0 360.391 2.887 50 5 FFBARN COc1ccc(C(=O)Nc2ccccc2C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000005550373 207105270 /nfs/dbraw/zinc/10/52/70/207105270.db2.gz MTHVEVMTTNIORY-UHFFFAOYSA-N 0 0 355.350 2.748 50 5 FFBARN C[C@@H](OC(=O)c1ccc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1)C(N)=O ZINC000006788501 207165485 /nfs/dbraw/zinc/16/54/85/207165485.db2.gz JAPQVJVDFCWHDY-SECBINFHSA-N 0 0 364.354 2.916 50 5 FFBARN CSC1=C([N+](=O)[O-])[C@@H](c2cccc(Br)c2)NC(=O)N1C ZINC000008346053 207230862 /nfs/dbraw/zinc/23/08/62/207230862.db2.gz WZZWKUXOFCNCHX-SECBINFHSA-N 0 0 358.217 2.954 50 5 FFBARN CSc1ccc(C(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1NC(C)=O ZINC000008943153 207251808 /nfs/dbraw/zinc/25/18/08/207251808.db2.gz SYCXVDKERCICFQ-UHFFFAOYSA-N 0 0 362.411 2.971 50 5 FFBARN Cn1c(Sc2cc3c(cc2[N+](=O)[O-])OCCO3)nnc1C(F)(F)F ZINC000009377542 207269334 /nfs/dbraw/zinc/26/93/34/207269334.db2.gz NYBVWFFLQHYFMT-UHFFFAOYSA-N 0 0 362.289 2.665 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1ccsc1 ZINC000009751794 207285192 /nfs/dbraw/zinc/28/51/92/207285192.db2.gz SGNBZELJUKHLJB-SECBINFHSA-N 0 0 350.352 2.849 50 5 FFBARN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)NC1CCCCCC1 ZINC000010051251 207293059 /nfs/dbraw/zinc/29/30/59/207293059.db2.gz WXBDNIOOVJCNJA-UHFFFAOYSA-N 0 0 363.414 2.657 50 5 FFBARN COC(=O)c1cccc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c1 ZINC000012547755 207391845 /nfs/dbraw/zinc/39/18/45/207391845.db2.gz BZWGJXPKLMYNNY-UHFFFAOYSA-N 0 0 366.333 2.819 50 5 FFBARN CCOc1cc2c(cc1CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)O[C@H](C)C2 ZINC000012553530 207392225 /nfs/dbraw/zinc/39/22/25/207392225.db2.gz BLAGSWLRYHYDPR-LLVKDONJSA-N 0 0 371.393 2.829 50 5 FFBARN O=C(Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000012567350 207393459 /nfs/dbraw/zinc/39/34/59/207393459.db2.gz JZTLTBDIWIRNLD-HNNXBMFYSA-N 0 0 369.377 2.756 50 5 FFBARN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCSC1CCCC1 ZINC000032435052 208027310 /nfs/dbraw/zinc/02/73/10/208027310.db2.gz WZROCIKZNZMGAQ-UHFFFAOYSA-N 0 0 360.457 2.558 50 5 FFBARN O=C(NCc1cccnc1OCC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000032817423 208044676 /nfs/dbraw/zinc/04/46/76/208044676.db2.gz SOPILUVYBODWEK-UHFFFAOYSA-N 0 0 355.272 2.861 50 5 FFBARN Cc1cc(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)c(C)n1-c1nccs1 ZINC000040161767 208239141 /nfs/dbraw/zinc/23/91/41/208239141.db2.gz JOYCVPGLJZOIEI-UHFFFAOYSA-N 0 0 358.379 2.503 50 5 FFBARN O=C1N[C@]2(CCCc3ccccc32)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000041093883 208281081 /nfs/dbraw/zinc/28/10/81/208281081.db2.gz BOIRDIKIVIBIMK-IBGZPJMESA-N 0 0 351.362 2.878 50 5 FFBARN CN1CCN(c2ccc(C(=O)NC3CCCCCC3)cc2[N+](=O)[O-])CC1 ZINC000009379223 132379252 /nfs/dbraw/zinc/37/92/52/132379252.db2.gz JWNBFXLUUOGICA-UHFFFAOYSA-N 0 0 360.458 2.799 50 5 FFBARN CC(C)c1onc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000004884886 132825169 /nfs/dbraw/zinc/82/51/69/132825169.db2.gz MIPVPJOBPMNAQM-UHFFFAOYSA-N 0 0 362.361 2.808 50 5 FFBARN CCCN1c2ccccc2[C@@](O)(CC(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000001130027 506250022 /nfs/dbraw/zinc/25/00/22/506250022.db2.gz JOGBLIXRZSBREG-IBGZPJMESA-N 0 0 354.362 2.812 50 5 FFBARN CCC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001164322 506252450 /nfs/dbraw/zinc/25/24/50/506252450.db2.gz XQNVNGLZLHTPDF-UHFFFAOYSA-N 0 0 356.334 2.983 50 5 FFBARN CCOC(=O)c1ccc(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)cc1 ZINC000001207177 506253757 /nfs/dbraw/zinc/25/37/57/506253757.db2.gz MYASFEVJZGISNQ-UHFFFAOYSA-N 0 0 372.333 2.810 50 5 FFBARN CC(=O)NC1=NN(C(C)=O)[C@H](/C(Cl)=C/c2ccc([N+](=O)[O-])cc2)S1 ZINC000002461336 506279684 /nfs/dbraw/zinc/27/96/84/506279684.db2.gz QCPYVXRTLMRYOQ-OTAKNEKHSA-N 0 0 368.802 2.503 50 5 FFBARN CC[C@@H](C)C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000002847796 506297124 /nfs/dbraw/zinc/29/71/24/506297124.db2.gz QKSQHYHIOGYKRK-SECBINFHSA-N 0 0 369.424 2.869 50 5 FFBARN COC(=O)c1ccc(SCC(=O)N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000003025076 506306677 /nfs/dbraw/zinc/30/66/77/506306677.db2.gz QSMGHHDROSOCJL-UHFFFAOYSA-N 0 0 352.412 2.732 50 5 aggregator FFBARN CN(Cc1ccccc1)C(=O)COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000003228635 506313466 /nfs/dbraw/zinc/31/34/66/506313466.db2.gz GTSIYCGJRQJONS-FMIVXFBMSA-N 0 0 354.362 2.810 50 5 FFBARN O=C(COC(=O)c1ccc2ccccc2n1)Nc1cccc([N+](=O)[O-])c1 ZINC000003234970 506314910 /nfs/dbraw/zinc/31/49/10/506314910.db2.gz MGRRZKMDUJHERH-UHFFFAOYSA-N 0 0 351.318 2.939 50 5 FFBARN CCCN(CCC)S(=O)(=O)c1ccc(N2CCCC2=O)c([N+](=O)[O-])c1 ZINC000004015977 506355322 /nfs/dbraw/zinc/35/53/22/506355322.db2.gz MZPGTXFMMKKWGD-UHFFFAOYSA-N 0 0 369.443 2.532 50 5 FFBARN CCOc1ccc(Cl)cc1C=Cc1[nH]c2ncnn2c(=O)c1[N+](=O)[O-] ZINC000033703581 506361024 /nfs/dbraw/zinc/36/10/24/506361024.db2.gz CGDLDVUASFSFEH-HWKANZROSA-N 0 0 361.745 2.961 50 5 FFBARN O=C(c1ccc([N+](=O)[O-])cc1)N(c1ccccc1)[C@H]1C=CS(=O)(=O)C1 ZINC000004159556 506361969 /nfs/dbraw/zinc/36/19/69/506361969.db2.gz BFCKVHXWOYRZPY-INIZCTEOSA-N 0 0 358.375 2.552 50 5 FFBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1 ZINC000004158831 506362033 /nfs/dbraw/zinc/36/20/33/506362033.db2.gz IORLNLAOSGDJDG-UHFFFAOYSA-N 0 0 353.444 2.760 50 5 FFBARN Cc1c(C(=O)N[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000004497408 506379610 /nfs/dbraw/zinc/37/96/10/506379610.db2.gz IIVBJEQTFZFQQE-ZDUSSCGKSA-N 0 0 357.341 2.578 50 5 FFBARN Cc1cccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000005090773 506420332 /nfs/dbraw/zinc/42/03/32/506420332.db2.gz SSNNIEJOWLQBMR-UHFFFAOYSA-N 0 0 355.394 2.631 50 5 FFBARN CCc1nnc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)s1 ZINC000005200140 506429313 /nfs/dbraw/zinc/42/93/13/506429313.db2.gz OICGHFKIRIKGMH-UHFFFAOYSA-N 0 0 361.427 2.864 50 5 FFBARN COc1ccc(-c2nnc(NC(=O)c3cccc([N+](=O)[O-])c3)o2)cc1OC ZINC000005372339 506439710 /nfs/dbraw/zinc/43/97/10/506439710.db2.gz RVIAPHTXKZFDOX-UHFFFAOYSA-N 0 0 370.321 2.914 50 5 FFBARN Cc1ccc(SCCNC(=O)COc2ccc(C)nc2[N+](=O)[O-])cc1 ZINC000005702281 506455210 /nfs/dbraw/zinc/45/52/10/506455210.db2.gz LHWNOIPBTDOGKE-UHFFFAOYSA-N 0 0 361.423 2.894 50 5 FFBARN Cc1cc(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)c(C)n1Cc1ccco1 ZINC000005823054 506457825 /nfs/dbraw/zinc/45/78/25/506457825.db2.gz OXIJWTQHXKJHEQ-UHFFFAOYSA-N 0 0 355.350 2.699 50 5 FFBARN COc1cc(C(=O)NCCc2ccccc2)c([N+](=O)[O-])c(OC)c1OC ZINC000012764253 506897391 /nfs/dbraw/zinc/89/73/91/506897391.db2.gz OMSQRRYVLHKLJY-UHFFFAOYSA-N 0 0 360.366 2.593 50 5 FFBARN CC(C)n1nnnc1S[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000012796089 506904744 /nfs/dbraw/zinc/90/47/44/506904744.db2.gz FWOODOMMPJSBAC-QMMMGPOBSA-N 0 0 370.822 2.935 50 5 FFBARN Cc1c(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cnn1C ZINC000013297791 506936011 /nfs/dbraw/zinc/93/60/11/506936011.db2.gz PPRLBKFOXSOKEF-JTQLQIEISA-N 0 0 357.326 2.605 50 5 FFBARN C[C@H](OC(=O)c1ccc([N+](=O)[O-])o1)C(=O)Nc1ccccc1OC(F)F ZINC000014083293 506963640 /nfs/dbraw/zinc/96/36/40/506963640.db2.gz RDKXBTLBQNRCAF-QMMMGPOBSA-N 0 0 370.264 2.973 50 5 FFBARN CNc1ccc(C(=O)NCCc2ccc(-n3cccn3)cc2)cc1[N+](=O)[O-] ZINC000014416008 506990270 /nfs/dbraw/zinc/99/02/70/506990270.db2.gz VWVDHYYBFMGYEL-UHFFFAOYSA-N 0 0 365.393 2.795 50 5 FFBARN O=[N+]([O-])c1cc(Cl)ccc1NCCNS(=O)(=O)Cc1ccccc1 ZINC000018194388 507145193 /nfs/dbraw/zinc/14/51/93/507145193.db2.gz UUTJVVOKSOMBNU-UHFFFAOYSA-N 0 0 369.830 2.780 50 5 FFBARN COc1cccc(-c2n[nH]c3c2[C@@H](c2cccc([N+](=O)[O-])c2)NC3=O)c1 ZINC000020213028 507215171 /nfs/dbraw/zinc/21/51/71/507215171.db2.gz GNEYXNXFMRWMTJ-OAHLLOKOSA-N 0 0 350.334 2.826 50 5 FFBARN COc1ccc(OC[C@@H]2OC(c3ccc([N+](=O)[O-])cc3)=NN2C(C)=O)cc1 ZINC000021092451 507243097 /nfs/dbraw/zinc/24/30/97/507243097.db2.gz CVLYRTAIOOCHRU-KRWDZBQOSA-N 0 0 371.349 2.549 50 5 FFBARN CCC(CC)[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000022966325 507322048 /nfs/dbraw/zinc/32/20/48/507322048.db2.gz ZUPWBRDXYNGFAJ-QGZVFWFLSA-N 0 0 364.446 2.853 50 5 FFBARN CN(C)c1ccc(C(=O)N2CCN(Cc3cccs3)CC2)cc1[N+](=O)[O-] ZINC000023735556 507369744 /nfs/dbraw/zinc/36/97/44/507369744.db2.gz POFKZYPWLFRYJD-UHFFFAOYSA-N 0 0 374.466 2.680 50 5 FFBARN Cc1c(C(=O)N2CCC(c3nnc4ccccn43)CC2)cccc1[N+](=O)[O-] ZINC000024326257 507404850 /nfs/dbraw/zinc/40/48/50/507404850.db2.gz WXBIFBHTWBSQEC-UHFFFAOYSA-N 0 0 365.393 2.966 50 5 FFBARN CC(=O)N1c2ccc(C(=O)COc3ccc(C)nc3[N+](=O)[O-])cc2C[C@H]1C ZINC000024827316 507440229 /nfs/dbraw/zinc/44/02/29/507440229.db2.gz MITOECOVHJEIAT-GFCCVEGCSA-N 0 0 369.377 2.857 50 5 FFBARN CCN(CC)S(=O)(=O)c1ccc(OCc2cc(C)no2)c([N+](=O)[O-])c1 ZINC000031076937 507817087 /nfs/dbraw/zinc/81/70/87/507817087.db2.gz GKKXBQILRJOJEC-UHFFFAOYSA-N 0 0 369.399 2.501 50 5 FFBARN COCc1cc([N+](=O)[O-])ccc1NC(=O)c1csc(-c2ncccn2)n1 ZINC000079071863 507930580 /nfs/dbraw/zinc/93/05/80/507930580.db2.gz BKWSYMJIRUQYAQ-UHFFFAOYSA-N 0 0 371.378 2.907 50 5 FFBARN CC(C)[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)N1CCc2ccccc2C1 ZINC000073815111 507958223 /nfs/dbraw/zinc/95/82/23/507958223.db2.gz XIWPNAZWDRIJRW-QGZVFWFLSA-N 0 0 355.394 2.978 50 5 FFBARN CCOC(=O)Cn1c2ccc([N+](=O)[O-])cc2s/c1=N\C(=O)C(C)(C)C ZINC000100877339 508240472 /nfs/dbraw/zinc/24/04/72/508240472.db2.gz NROYTEXHRGNWLP-ICFOKQHNSA-N 0 0 365.411 2.648 50 5 FFBARN O=C1[C@@H]2ON=C(c3cccc([N+](=O)[O-])c3)C2=C(O)N1c1ccc(Cl)cc1 ZINC000103559618 508317769 /nfs/dbraw/zinc/31/77/69/508317769.db2.gz ZHUAXXIMKWNYMN-UKRRQHHQSA-N 0 0 371.736 2.541 50 5 FFBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000170591476 509673844 /nfs/dbraw/zinc/67/38/44/509673844.db2.gz RAEGQMANDAUCEC-BONVTDFDSA-N 0 0 355.778 2.708 50 5 FFBARN O=[N+]([O-])c1ccc(N2CC[C@@H](O)C2)c(OC(F)F)c1Br ZINC000252495509 509844157 /nfs/dbraw/zinc/84/41/57/509844157.db2.gz ORWYAKDELHDTCG-ZCFIWIBFSA-N 0 0 353.119 2.530 50 5 FFBARN O=c1nc2c3ccccc3nc(CSCCO)n2nc1-c1ccccc1 ZINC000253428469 509883062 /nfs/dbraw/zinc/88/30/62/509883062.db2.gz AORYXNZAZKZUDK-UHFFFAOYSA-N 0 0 364.430 2.530 50 5 FFBARN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(N(C)C)n1 ZINC000089478866 525988927 /nfs/dbraw/zinc/98/89/27/525988927.db2.gz FNVWTCMPGXCNOR-LBPRGKRZSA-N 0 0 360.439 2.853 50 5 FFBARN Cc1ccc2[nH]c(=O)cc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)c2c1 ZINC000008843230 526095084 /nfs/dbraw/zinc/09/50/84/526095084.db2.gz UOUSQHGGHVQGPD-UHFFFAOYSA-N 0 0 366.329 2.784 50 5 FFBARN COc1ccc(C(=O)N2N=C(C)C[C@@]2(O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000000711082 210263720 /nfs/dbraw/zinc/26/37/20/210263720.db2.gz RFMNLAUYZCITQV-GOSISDBHSA-N 0 0 355.350 2.671 50 5 FFBARN Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc1C(=O)N(C)C ZINC000001112863 219371259 /nfs/dbraw/zinc/37/12/59/219371259.db2.gz YZGCPFMWCIGAMN-UHFFFAOYSA-N 0 0 368.802 2.967 50 5 aggregator FFBARN CCS(=O)(=O)c1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000005241402 219664144 /nfs/dbraw/zinc/66/41/44/219664144.db2.gz VZOGCQNJJVKYOW-UHFFFAOYSA-N 0 0 364.379 2.649 50 5 FFBARN O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000007020478 219787669 /nfs/dbraw/zinc/78/76/69/219787669.db2.gz MAOQGIAEVKGTOH-UHFFFAOYSA-N 0 0 370.409 2.776 50 5 FFBARN O=c1c(C(F)(F)F)cccn1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000062579995 212030695 /nfs/dbraw/zinc/03/06/95/212030695.db2.gz CGCRWPUOXMUVFW-UHFFFAOYSA-N 0 0 366.255 2.874 50 5 FFBARN COc1cc(/C=C/C(=O)NC[C@@H]2CCCO2)c([N+](=O)[O-])cc1OC(F)F ZINC000012824926 220035070 /nfs/dbraw/zinc/03/50/70/220035070.db2.gz TZXOEWRVZNDTDO-ZWNMCFTASA-N 0 0 372.324 2.513 50 5 FFBARN Cc1ccc(C(=O)N[C@@H](Cn2cncn2)c2ccccc2)cc1[N+](=O)[O-] ZINC000058268376 212001158 /nfs/dbraw/zinc/00/11/58/212001158.db2.gz FWZAOEZKQBSTKI-INIZCTEOSA-N 0 0 351.366 2.666 50 5 FFBARN Cc1sc(C(=O)N[C@H](Cn2cncn2)c2ccccc2)cc1[N+](=O)[O-] ZINC000058251432 212000585 /nfs/dbraw/zinc/00/05/85/212000585.db2.gz JRLPOEZMINAASO-CYBMUJFWSA-N 0 0 357.395 2.728 50 5 FFBARN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-n2cncn2)c(F)c1 ZINC000058281599 212002133 /nfs/dbraw/zinc/00/21/33/212002133.db2.gz QJICIEUVODWSBN-UHFFFAOYSA-N 0 0 370.344 2.633 50 5 FFBARN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(Cc2cnn(C)c2)C(C)C)c1C ZINC000055299995 211944559 /nfs/dbraw/zinc/94/45/59/211944559.db2.gz FBERDWHVBCEQRL-UHFFFAOYSA-N 0 0 366.443 2.544 50 5 FFBARN CN(Cc1nc2ccccc2[nH]1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000028985889 211502275 /nfs/dbraw/zinc/50/22/75/211502275.db2.gz YVXJMEYIJIXOPW-UHFFFAOYSA-N 0 0 368.349 2.515 50 5 FFBARN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000027072686 211457879 /nfs/dbraw/zinc/45/78/79/211457879.db2.gz OMOGZUDGBWJOTM-HNNXBMFYSA-N 0 0 365.393 2.586 50 5 FFBARN Cc1sc(C(=O)Nc2ccccc2NS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000024897180 211416127 /nfs/dbraw/zinc/41/61/27/211416127.db2.gz YYVIIVKYNJTXQC-UHFFFAOYSA-N 0 0 355.397 2.589 50 5 FFBARN COc1ccc(OC[C@H]2OC(c3ccc([N+](=O)[O-])cc3)=NN2C(C)=O)cc1 ZINC000021092456 211305550 /nfs/dbraw/zinc/30/55/50/211305550.db2.gz CVLYRTAIOOCHRU-QGZVFWFLSA-N 0 0 371.349 2.549 50 5 FFBARN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000019536975 211231769 /nfs/dbraw/zinc/23/17/69/211231769.db2.gz FHTCCXVIZMFBSW-QPJJXVBHSA-N 0 0 365.433 2.995 50 5 FFBARN O=C(COc1ccc([N+](=O)[O-])cc1)NCc1ccc(Cn2cccn2)cc1 ZINC000016302244 211159038 /nfs/dbraw/zinc/15/90/38/211159038.db2.gz UWKRDVLJIMMZRJ-UHFFFAOYSA-N 0 0 366.377 2.535 50 5 FFBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000014239574 211087789 /nfs/dbraw/zinc/08/77/89/211087789.db2.gz HWCXDEVVJCXHBI-INIZCTEOSA-N 0 0 367.405 2.933 50 5 FFBARN CCN(C[C@@H]1COc2ccccc2O1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000007889630 210758485 /nfs/dbraw/zinc/75/84/85/210758485.db2.gz SEMNWEJMQKCKDK-MRXNPFEDSA-N 0 0 372.377 2.662 50 5 FFBARN Cc1ccc(NC(=O)Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)c(C)c1 ZINC000006083212 210655802 /nfs/dbraw/zinc/65/58/02/210655802.db2.gz GLQRFBRYKBIKAS-UHFFFAOYSA-N 0 0 352.350 2.560 50 5 FFBARN O=[N+]([O-])c1cc(I)cc(I)c1 ZINC000004830002 210568294 /nfs/dbraw/zinc/56/82/94/210568294.db2.gz JIVYEUNBDFYQRD-UHFFFAOYSA-N 0 0 374.903 2.804 50 5 FFBARN O=C(NC[C@@H]1CCCO1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000002843665 210428998 /nfs/dbraw/zinc/42/89/98/210428998.db2.gz FMMQTKGJDMMCJJ-KRWDZBQOSA-N 0 0 369.377 2.756 50 5 FFBARN O=C(NCCc1c[nH]c2ccccc12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000002181374 210381609 /nfs/dbraw/zinc/38/16/09/210381609.db2.gz JWRKIRHUYDKTTG-UHFFFAOYSA-N 0 0 354.322 2.957 50 5 biogenic FFBARN Cc1c([N+](=O)[O-])cc(C(=O)NCCc2nc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000001777888 210369062 /nfs/dbraw/zinc/36/90/62/210369062.db2.gz OIHSEWGKXSGVDT-UHFFFAOYSA-N 0 0 369.337 2.660 50 5 FFBARN O=c1c2cc(Br)ccc2nc(-c2ccc([N+](=O)[O-])cc2)n1[O-] ZINC000001382213 210346187 /nfs/dbraw/zinc/34/61/87/210346187.db2.gz VLJLVHOWNLXNQR-UHFFFAOYSA-N 0 0 362.139 2.972 50 5 FFBARN Cc1cccc(-c2nc3s/c(=C\c4cccc([N+](=O)[O-])c4)c(=O)n3n2)c1 ZINC000001314991 210340928 /nfs/dbraw/zinc/34/09/28/210340928.db2.gz HAGUVVPOKBRARU-GDNBJRDFSA-N 0 0 364.386 2.582 50 5 FFBARN COc1cc2c(CCN3C(=O)c4ccccc4C3=O)c[nH]c2c([N+](=O)[O-])c1 ZINC000001304460 210340590 /nfs/dbraw/zinc/34/05/90/210340590.db2.gz RUEQMJSFJFHIAN-UHFFFAOYSA-N 0 0 365.345 2.923 50 5 FFBARN Cc1cc(=O)oc2cc(OCC(=O)N3CCCCCC3)c([N+](=O)[O-])cc12 ZINC000000937216 210292271 /nfs/dbraw/zinc/29/22/71/210292271.db2.gz GJTCXBCOKCBXBQ-UHFFFAOYSA-N 0 0 360.366 2.791 50 5 FFBARN COc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)cc1OC ZINC000000887180 210287117 /nfs/dbraw/zinc/28/71/17/210287117.db2.gz CISHSJHQTXNEEY-UHFFFAOYSA-N 0 0 370.317 2.971 50 5 FFBARN O=C(Oc1cccc(C(=S)N2CCOCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000000866314 210284159 /nfs/dbraw/zinc/28/41/59/210284159.db2.gz QZIWAMKUNUXLPB-UHFFFAOYSA-N 0 0 372.402 2.822 50 5 FFBARN COc1ccc(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])c(OC)c1 ZINC000000851732 210280904 /nfs/dbraw/zinc/28/09/04/210280904.db2.gz JKYZJMPNADPQKV-UHFFFAOYSA-N 0 0 362.338 2.882 50 5 FFBARN C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N)C(=O)NC[C@@H](C)c1ccccc1 ZINC000022624162 220392310 /nfs/dbraw/zinc/39/23/10/220392310.db2.gz VMASUPAYLKJTEN-CHWSQXEVSA-N 0 0 371.393 2.642 50 5 FFBARN C[C@@H](CNC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccccc1 ZINC000022624164 220392584 /nfs/dbraw/zinc/39/25/84/220392584.db2.gz VMASUPAYLKJTEN-STQMWFEESA-N 0 0 371.393 2.642 50 5 FFBARN CN(C)C(=O)C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000058162210 221100223 /nfs/dbraw/zinc/10/02/23/221100223.db2.gz CSLQPGJYODGLOK-INIZCTEOSA-N 0 0 356.382 2.936 50 5 FFBARN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000062580907 221140142 /nfs/dbraw/zinc/14/01/42/221140142.db2.gz BRTBDCZMCJQSEH-NUTKFTJISA-N 0 0 358.398 2.708 50 5 FFBARN O=[N+]([O-])c1ccccc1N1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000095351445 132206953 /nfs/dbraw/zinc/20/69/53/132206953.db2.gz MZSQKQHDAFHRLF-UHFFFAOYSA-N 0 0 355.394 2.688 50 5 FFBARN CC(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCCc3ccccc3)c2)CC1 ZINC000004090633 132386352 /nfs/dbraw/zinc/38/63/52/132386352.db2.gz MXVXCWKKMIMFFZ-UHFFFAOYSA-N 0 0 368.437 2.918 50 5 FFBARN O=C(N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(Cl)(Cl)Cl ZINC000004371889 132823314 /nfs/dbraw/zinc/82/33/14/132823314.db2.gz VRIFAUAOEHFWIG-UHFFFAOYSA-N 0 0 352.605 2.614 50 5 FFBARN Cc1cc(N2CCN(Cc3cn4ccccc4n3)CC2)ccc1[N+](=O)[O-] ZINC000051499444 136124128 /nfs/dbraw/zinc/12/41/28/136124128.db2.gz HECISLAWTRDJMA-UHFFFAOYSA-N 0 0 351.410 2.873 50 5 FFBARN COC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccc(O)c1 ZINC000095451200 221905740 /nfs/dbraw/zinc/90/57/40/221905740.db2.gz KAJUUWKRALPGOD-AWEZNQCLSA-N 0 0 364.741 2.598 50 5 FFBARN O=C(/C=C/c1ccccc1)NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000096277209 222108873 /nfs/dbraw/zinc/10/88/73/222108873.db2.gz FNAHURGGEQBPLZ-MDZDMXLPSA-N 0 0 350.334 2.974 50 5 FFBARN CCOC(=O)c1cc2c(nc3c(C)cccn3c2=O)n([C@H](C)CC)c1=N ZINC000100628087 222248409 /nfs/dbraw/zinc/24/84/09/222248409.db2.gz ROFHMABAQPCCMX-GFCCVEGCSA-N 0 0 354.410 2.585 50 5 FFBARN COCCn1c2ccc([N+](=O)[O-])cc2sc1=NC(=O)Cc1ccccc1 ZINC000100872716 222255034 /nfs/dbraw/zinc/25/50/34/222255034.db2.gz VZSPDSSSUIYYFT-HNENSFHCSA-N 0 0 371.418 2.927 50 5 FFBARN O=C(N[C@H]1CCOc2ccccc21)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000032722334 506284093 /nfs/dbraw/zinc/28/40/93/506284093.db2.gz DQJWIRHEHMKXKU-ZDUSSCGKSA-N 0 0 356.334 2.620 50 5 FFBARN O=[N+]([O-])c1cc(CSc2nnnn2-c2ccccc2)c2c(c1)COCO2 ZINC000002658794 506286241 /nfs/dbraw/zinc/28/62/41/506286241.db2.gz FMXKNHIIEKHECE-UHFFFAOYSA-N 0 0 371.378 2.729 50 5 FFBARN O=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)NC1CCCCCCC1 ZINC000003431591 506330808 /nfs/dbraw/zinc/33/08/08/506330808.db2.gz PQBJREKBVZLZMU-UHFFFAOYSA-N 0 0 358.398 2.534 50 5 FFBARN CCc1onc(C)c1[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000033087006 506334887 /nfs/dbraw/zinc/33/48/87/506334887.db2.gz SFTUPLCYUMFZCD-AWEZNQCLSA-N 0 0 365.411 2.979 50 5 FFBARN CC1=C(C(=O)O[C@@H]2CCC[C@@H]2C)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 ZINC000004066659 506356814 /nfs/dbraw/zinc/35/68/14/506356814.db2.gz MPOGNXFBWLAWGZ-DRZCJDIDSA-N 0 0 359.382 2.955 50 5 FFBARN Cc1cc(C(=O)N2NC(C3CC3)=C[C@]2(O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000004178892 506364075 /nfs/dbraw/zinc/36/40/75/506364075.db2.gz CSSXDVLYMNYVJB-AWEZNQCLSA-N 0 0 357.288 2.766 50 5 FFBARN Cc1cc(C)n2nc(SCC(=O)Nc3c(C)cccc3[N+](=O)[O-])nc2n1 ZINC000004523445 506380664 /nfs/dbraw/zinc/38/06/64/506380664.db2.gz LLFOTFJDRDVNEQ-UHFFFAOYSA-N 0 0 372.410 2.689 50 5 FFBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2nc(C3CC3)cs2)CC1 ZINC000035596831 506388482 /nfs/dbraw/zinc/38/84/82/506388482.db2.gz XRPHLXMJYDWKIC-UHFFFAOYSA-N 0 0 372.450 2.887 50 5 FFBARN O=C(NCc1cccs1)c1cc([N+](=O)[O-])nn1Cc1ccccc1F ZINC000004772573 506393343 /nfs/dbraw/zinc/39/33/43/506393343.db2.gz VFXFKJPFSVHKBG-UHFFFAOYSA-N 0 0 360.370 2.970 50 5 FFBARN COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccc([N+](=O)[O-])cc1OC ZINC000004794601 506395943 /nfs/dbraw/zinc/39/59/43/506395943.db2.gz XWIVCJAERNSSLQ-MRXNPFEDSA-N 0 0 360.322 2.902 50 5 FFBARN O=C(Nc1ccc2c[nH]nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000004864239 506400374 /nfs/dbraw/zinc/40/03/74/506400374.db2.gz TWKWEMZPZIAFEL-UHFFFAOYSA-N 0 0 367.365 2.560 50 5 FFBARN COc1cccc(-c2cc(C(F)(F)F)nc(-n3cnc([N+](=O)[O-])n3)n2)c1 ZINC000004881461 506402805 /nfs/dbraw/zinc/40/28/05/506402805.db2.gz WXSBWXGPZWGCHF-UHFFFAOYSA-N 0 0 366.259 2.660 50 5 FFBARN COc1ccccc1N1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000036396709 506406914 /nfs/dbraw/zinc/40/69/14/506406914.db2.gz LNCXKKLBHOUKAR-UHFFFAOYSA-N 0 0 357.410 2.804 50 5 FFBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1CC(=O)O[C@@]12CCOC(C)(C)C2 ZINC000005024678 506416335 /nfs/dbraw/zinc/41/63/35/506416335.db2.gz WPPNCEUAUFTUKU-SCLBCKFNSA-N 0 0 362.382 2.733 50 5 FFBARN Cc1ccc(-c2cc(N)n(S(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000005034751 506416823 /nfs/dbraw/zinc/41/68/23/506416823.db2.gz WPOMGKHHAJJFDY-UHFFFAOYSA-N 0 0 358.379 2.586 50 5 FFBARN Cc1ccc(-c2nnn(CC(=O)Nc3cc(C)c(C)cc3[N+](=O)[O-])n2)cc1 ZINC000005036524 506417169 /nfs/dbraw/zinc/41/71/69/506417169.db2.gz MOLYNYHKYACJAH-UHFFFAOYSA-N 0 0 366.381 2.812 50 5 FFBARN O=C1C[C@]2(CC(c3cccc([N+](=O)[O-])c3)=NO2)C(=O)N1c1ccc(F)cc1 ZINC000005068946 506418805 /nfs/dbraw/zinc/41/88/05/506418805.db2.gz WCPLZEBZUIBMNC-GOSISDBHSA-N 0 0 369.308 2.561 50 5 FFBARN CCOC(=O)C[C@@H]1COc2ccccc2N1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000005598216 506449067 /nfs/dbraw/zinc/44/90/67/506449067.db2.gz JHFVDALEAIDZSI-OAHLLOKOSA-N 0 0 370.361 2.956 50 5 FFBARN C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccc(OC(F)(F)F)cc1 ZINC000040074312 506463169 /nfs/dbraw/zinc/46/31/69/506463169.db2.gz FGZHANYYWGRCFW-SECBINFHSA-N 0 0 358.276 2.567 50 5 FFBARN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)OCCCO2 ZINC000005985631 506463382 /nfs/dbraw/zinc/46/33/82/506463382.db2.gz AWAAWOZHGHYGRZ-UHFFFAOYSA-N 0 0 350.352 2.557 50 5 FFBARN O=C(COc1ccc(-c2nnco2)cc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000006561700 506488937 /nfs/dbraw/zinc/48/89/37/506488937.db2.gz MJPGERSQAQIRQL-UHFFFAOYSA-N 0 0 358.285 2.801 50 5 FFBARN COc1ccc(C(=O)OCC(=O)N(CC(C)C)CC(C)C)cc1[N+](=O)[O-] ZINC000007007541 506526066 /nfs/dbraw/zinc/52/60/66/506526066.db2.gz BHQGIFJGNYDUKC-UHFFFAOYSA-N 0 0 366.414 2.901 50 5 FFBARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COc1cc(F)ccc1[N+](=O)[O-] ZINC000007159125 506538781 /nfs/dbraw/zinc/53/87/81/506538781.db2.gz AVZTVIBIXANXHR-NSHDSACASA-N 0 0 373.340 2.877 50 5 FFBARN O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(N2CCCC2=O)cc1 ZINC000007544386 506569337 /nfs/dbraw/zinc/56/93/37/506569337.db2.gz OWLJXUHRXZICGR-UHFFFAOYSA-N 0 0 355.350 2.739 50 5 FFBARN C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CCOc2ccc(F)cc2)C1=O ZINC000008645841 506660918 /nfs/dbraw/zinc/66/09/18/506660918.db2.gz JYFHXRYGALUOTQ-SFHVURJKSA-N 0 0 373.340 2.580 50 5 FFBARN O=C(/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2)Nc1nnc(C2CC2)s1 ZINC000009156156 506684788 /nfs/dbraw/zinc/68/47/88/506684788.db2.gz LGKUNGKZWHZIDW-ONEGZZNKSA-N 0 0 374.378 2.842 50 5 FFBARN CCOC(=O)c1c(N)c(C(=O)c2cccc([N+](=O)[O-])c2)n2ccccc12 ZINC000009316410 506689653 /nfs/dbraw/zinc/68/96/53/506689653.db2.gz WDQZWXJAKGBKHT-UHFFFAOYSA-N 0 0 353.334 2.837 50 5 FFBARN Cc1ccnc(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)c1 ZINC000009339372 506691104 /nfs/dbraw/zinc/69/11/04/506691104.db2.gz ZBGMOKIXCNTKRC-UHFFFAOYSA-N 0 0 356.338 2.625 50 5 FFBARN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CCC[C@H]1c1ccccc1 ZINC000009895297 506715417 /nfs/dbraw/zinc/71/54/17/506715417.db2.gz XHZDIIOHLQCHLU-KRWDZBQOSA-N 0 0 353.378 2.688 50 5 FFBARN O=C(NC1CCCCC1)NC1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000055409715 506746556 /nfs/dbraw/zinc/74/65/56/506746556.db2.gz GFXKNFGQJZIMAG-UHFFFAOYSA-N 0 0 374.441 2.831 50 5 FFBARN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H](c1ccsc1)N(C)C ZINC000046033665 507065881 /nfs/dbraw/zinc/06/58/81/507065881.db2.gz NGXVFBIZRNBEIY-CQSZACIVSA-N 0 0 369.468 2.546 50 5 FFBARN CN1CCN(c2ccc(-c3nc(-c4ccco4)no3)cc2[N+](=O)[O-])CC1 ZINC000020898099 507238051 /nfs/dbraw/zinc/23/80/51/507238051.db2.gz IMGIGVKXMZBOPB-UHFFFAOYSA-N 0 0 355.354 2.657 50 5 FFBARN Cc1cc(=O)c(C(=O)NC2CCC(C)CC2)nn1-c1ccccc1[N+](=O)[O-] ZINC000024643337 507425435 /nfs/dbraw/zinc/42/54/35/507425435.db2.gz LXNVEOQZYJZTSM-UHFFFAOYSA-N 0 0 370.409 2.758 50 5 FFBARN O=C(N[C@H](CN1CCCC1=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000048957435 507581925 /nfs/dbraw/zinc/58/19/25/507581925.db2.gz IBMDWVRNOOQAAP-QGZVFWFLSA-N 0 0 353.378 2.688 50 5 FFBARN COC(=O)c1cc([N+](=O)[O-])ccc1N(C)C[C@H]1COc2ccccc2O1 ZINC000030681980 507812144 /nfs/dbraw/zinc/81/21/44/507812144.db2.gz XSBUFIAMLWSYMF-ZDUSSCGKSA-N 0 0 358.350 2.658 50 5 FFBARN COC(=O)[C@H]1c2ccccc2CCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000095404774 508184436 /nfs/dbraw/zinc/18/44/36/508184436.db2.gz UQGIPMSRDJABHI-QGZVFWFLSA-N 0 0 354.362 2.816 50 5 FFBARN O=C(Nc1ccn(-c2cccc(C(F)(F)F)c2)n1)c1cc([N+](=O)[O-])n[nH]1 ZINC000239527608 509839279 /nfs/dbraw/zinc/83/92/79/509839279.db2.gz ATKKKBWCIRXHRH-UHFFFAOYSA-N 0 0 366.259 2.775 50 5 FFBARN CC(=O)NC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=Nc1cccc(F)c1 ZINC000252677598 509858204 /nfs/dbraw/zinc/85/82/04/509858204.db2.gz ZGACXOKONRARAS-UHFFFAOYSA-N 0 0 369.308 2.989 50 5 FFBARN O=[N+]([O-])c1cc(N[C@@H]2C[C@@H](O)[C@@H](O)CO2)cc(Sc2ccccc2)c1 ZINC000217507857 527338763 /nfs/dbraw/zinc/33/87/63/527338763.db2.gz AQFSCHZBYWUHCK-IKGGRYGDSA-N 0 0 362.407 2.626 50 5 biogenic,in-vitro FFBARN Cc1ccc(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)cc1-n1cnnn1 ZINC000098006649 1013262792 /nfs/dbraw/zinc/26/27/92/1013262792.db2.gz BWISWZKADDQIAC-VURMDHGXSA-N 0 0 350.338 2.531 50 5 FFBARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)NCCc1ccc2c(c1)OCCO2 ZINC000033470258 990332546 /nfs/dbraw/zinc/33/25/46/990332546.db2.gz WMTVBDBTRWWWMF-ALCCZGGFSA-N 0 0 354.362 2.738 50 5 FFBARN COC(=O)c1ccccc1NC(=O)/C=C\c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000096878917 1012428888 /nfs/dbraw/zinc/42/88/88/1012428888.db2.gz BWKUEYZJMFDNIB-SREVYHEPSA-N 0 0 370.317 2.762 50 5 FFBARN CCOc1ccc(NC(=O)COC(=O)/C=C\c2ccco2)c([N+](=O)[O-])c1 ZINC000034744827 1018703698 /nfs/dbraw/zinc/70/36/98/1018703698.db2.gz QJCWNMFDBYSREG-VURMDHGXSA-N 0 0 360.322 2.782 50 5 FFBARN CS(=O)(=O)c1cc([N+](=O)[O-])c(Br)cc1OC(F)(F)F ZINC000217049296 222669602 /nfs/dbraw/zinc/66/96/02/222669602.db2.gz SNJGGEKRDSOIGK-UHFFFAOYSA-N 0 0 364.095 2.659 50 5 FFBARN Nc1ncc(Br)cc1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000225814610 222871245 /nfs/dbraw/zinc/87/12/45/222871245.db2.gz MOLIBYHQKOSPAP-UHFFFAOYSA-N 0 0 358.583 2.995 50 5 FFBARN CN(C)C(=O)N1CCC(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000042391357 211778829 /nfs/dbraw/zinc/77/88/29/211778829.db2.gz OVLSXMQBKFCNSQ-UHFFFAOYSA-N 0 0 354.794 2.580 50 5 FFBARN Cc1ccc([C@H](O)CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000041467937 211773127 /nfs/dbraw/zinc/77/31/27/211773127.db2.gz CVLLEUBXKBBBOS-LJQANCHMSA-N 0 0 369.421 2.967 50 5 FFBARN Cc1c(NC(=O)CN(C)C[C@@H]2COc3ccccc3O2)cccc1[N+](=O)[O-] ZINC000016629149 220188666 /nfs/dbraw/zinc/18/86/66/220188666.db2.gz IZRKMCDRNDRTCL-CQSZACIVSA-N 0 0 371.393 2.614 50 5 FFBARN Cc1ccc(NC(=O)CN(C)C[C@H]2COc3ccccc3O2)c([N+](=O)[O-])c1 ZINC000016629021 220188820 /nfs/dbraw/zinc/18/88/20/220188820.db2.gz DGBRYFZVVXWHCY-AWEZNQCLSA-N 0 0 371.393 2.614 50 5 FFBARN O=C(NC1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1)c1ccccc1 ZINC000032869744 211568921 /nfs/dbraw/zinc/56/89/21/211568921.db2.gz FFNWACZYKJQINM-UHFFFAOYSA-N 0 0 365.393 2.641 50 5 FFBARN CC(=O)N1CCC(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000032740461 211557459 /nfs/dbraw/zinc/55/74/59/211557459.db2.gz UVRRWVZHEUZWIL-UHFFFAOYSA-N 0 0 357.366 2.596 50 5 FFBARN O=[N+]([O-])c1ccc(NC[C@]2(N3CCOCC3)CCSC2)c(Cl)c1 ZINC000029625766 211514998 /nfs/dbraw/zinc/51/49/98/211514998.db2.gz KEWAEMIWBRFVTD-OAHLLOKOSA-N 0 0 357.863 2.868 50 5 FFBARN O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000023106243 211375567 /nfs/dbraw/zinc/37/55/67/211375567.db2.gz PFAZKEGDIWUYGC-GOSISDBHSA-N 0 0 373.384 2.537 50 5 FFBARN COCCN1C(=O)c2[nH]nc(-c3ccco3)c2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000020728356 211293781 /nfs/dbraw/zinc/29/37/81/211293781.db2.gz KHYSDGCCUXHNPZ-KRWDZBQOSA-N 0 0 368.349 2.770 50 5 FFBARN COc1ccccc1C(=O)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000019568787 211234664 /nfs/dbraw/zinc/23/46/64/211234664.db2.gz SNIQBFQFFDQBKX-UHFFFAOYSA-N 0 0 355.394 2.561 50 5 FFBARN Cc1onc(C(=O)N2CCSCC2)c1COc1ccc([N+](=O)[O-])cc1 ZINC000013641269 211046599 /nfs/dbraw/zinc/04/65/99/211046599.db2.gz LNMPHZZVSBGQHG-UHFFFAOYSA-N 0 0 363.395 2.659 50 5 FFBARN Cc1ccccc1CN(C)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000013140970 211025968 /nfs/dbraw/zinc/02/59/68/211025968.db2.gz GRSMWKXOSSZNEY-UHFFFAOYSA-N 0 0 362.407 2.579 50 5 FFBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc2c(c1)CCC(=O)N2 ZINC000012973599 211014063 /nfs/dbraw/zinc/01/40/63/211014063.db2.gz PUATXPBZPHVJEL-UHFFFAOYSA-N 0 0 362.363 2.556 50 5 FFBARN COc1cc([N+](=O)[O-])ccc1NC(=O)COc1ncnc2ccccc21 ZINC000005504582 210624486 /nfs/dbraw/zinc/62/44/86/210624486.db2.gz OSZDYQCLKQNFMH-UHFFFAOYSA-N 0 0 354.322 2.564 50 5 FFBARN CCSc1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)s1 ZINC000005199179 210607136 /nfs/dbraw/zinc/60/71/36/210607136.db2.gz ROJWYGFDNBTDEG-UHFFFAOYSA-N 0 0 353.429 2.877 50 5 FFBARN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)CCC2 ZINC000003556156 210486802 /nfs/dbraw/zinc/48/68/02/210486802.db2.gz SHFFOVDPHLYJKC-UHFFFAOYSA-N 0 0 353.378 2.842 50 5 FFBARN Cc1cc([N+](=O)[O-])nn1C[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000002792439 210423318 /nfs/dbraw/zinc/42/33/18/210423318.db2.gz PEPNUZKIIGGHNL-LLVKDONJSA-N 0 0 370.365 2.789 50 5 FFBARN C[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000002332753 210392170 /nfs/dbraw/zinc/39/21/70/210392170.db2.gz GZSNHBOFBZYOOY-VIFPVBQESA-N 0 0 355.310 2.870 50 5 FFBARN CCOP(=O)(CC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)OCC ZINC000002238678 210384790 /nfs/dbraw/zinc/38/47/90/210384790.db2.gz NKHHASVMIDJUJI-UHFFFAOYSA-N 0 0 359.271 2.587 50 5 FFBARN CCOC(=O)c1ccccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000001774451 210369609 /nfs/dbraw/zinc/36/96/09/210369609.db2.gz XMARCAMAKFUDRW-UHFFFAOYSA-N 0 0 359.294 2.932 50 5 FFBARN COc1ccc(CN2CCN(Cc3ccccc3[N+](=O)[O-])CC2)cc1OC ZINC000001178834 210330804 /nfs/dbraw/zinc/33/08/04/210330804.db2.gz LRQSBCVLDRWODQ-UHFFFAOYSA-N 0 0 371.437 2.930 50 5 FFBARN CC(C)NS(=O)(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000001076790 210313809 /nfs/dbraw/zinc/31/38/09/210313809.db2.gz JPFFICDRTSCXGY-UHFFFAOYSA-N 0 0 363.395 2.534 50 5 FFBARN C[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)O[C@@H](c2cccc([N+](=O)[O-])c2)O1 ZINC000001025702 210302999 /nfs/dbraw/zinc/30/29/99/210302999.db2.gz YVYVINMYBSLRMG-ZMZPIMSZSA-N 0 0 372.333 2.815 50 5 FFBARN Cc1c([N+](=O)[O-])c(C(=O)Nc2ccc(C)cc2Br)nn1C ZINC000001002161 210299963 /nfs/dbraw/zinc/29/99/63/210299963.db2.gz LRZDLHSLVBFKDW-UHFFFAOYSA-N 0 0 353.176 2.960 50 5 FFBARN O=C(NCCOc1ccc2c(c1)OCO2)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000022480550 220388952 /nfs/dbraw/zinc/38/89/52/220388952.db2.gz DFDGJGKUHPJWDU-UHFFFAOYSA-N 0 0 364.741 2.786 50 5 FFBARN Cn1ccnc1C(=O)c1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000024596569 220452518 /nfs/dbraw/zinc/45/25/18/220452518.db2.gz SIPQOXOABRDWOP-UHFFFAOYSA-N 0 0 364.361 2.741 50 5 FFBARN O=[N+]([O-])c1c(Nc2ccc(N3CCCS3(=O)=O)cc2)nc2ccccn21 ZINC000026710820 220519832 /nfs/dbraw/zinc/51/98/32/220519832.db2.gz QXVNJLCYFOUWDN-UHFFFAOYSA-N 0 0 373.394 2.526 50 5 FFBARN COC(=O)Nc1ccc(CNC(=O)CCNc2ccccc2[N+](=O)[O-])cc1 ZINC000032935167 220701572 /nfs/dbraw/zinc/70/15/72/220701572.db2.gz HXTYHRDHTAIPEO-UHFFFAOYSA-N 0 0 372.381 2.892 50 5 FFBARN Cc1c(C(=O)N2CCNC(=O)C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000065523922 221229318 /nfs/dbraw/zinc/22/93/18/221229318.db2.gz UHUNUHLDKDLQHK-KRWDZBQOSA-N 0 0 353.378 2.607 50 5 FFBARN O=C(N[C@@H]1C[C@@H]1c1cccc(F)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000067092486 221247689 /nfs/dbraw/zinc/24/76/89/221247689.db2.gz ZKAHCVKFLOWEGX-TZMCWYRMSA-N 0 0 358.325 2.791 50 5 FFBARN O=C(Nc1cc(F)cc(F)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000004668088 132387016 /nfs/dbraw/zinc/38/70/16/132387016.db2.gz KKYHNEJSIGUVTN-UHFFFAOYSA-N 0 0 363.320 2.962 50 5 FFBARN COc1cccc(Nc2nc(N)c([N+](=O)[O-])c(N3CCC[C@@H](C)C3)n2)c1 ZINC000009287318 132845043 /nfs/dbraw/zinc/84/50/43/132845043.db2.gz QNQDZMIKRKEKIE-LLVKDONJSA-N 0 0 358.402 2.956 50 5 FFBARN O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000047254701 136122689 /nfs/dbraw/zinc/12/26/89/136122689.db2.gz CXEJXUSHYUGXQS-LLVKDONJSA-N 0 0 361.789 2.893 50 5 FFBARN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CCS(=O)(=O)CC1 ZINC000057839957 136130130 /nfs/dbraw/zinc/13/01/30/136130130.db2.gz COEOBIYPODHOFA-UHFFFAOYSA-N 0 0 358.725 2.502 50 5 FFBARN CCOC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(c2ccccc2O)CC1 ZINC000068873668 136137972 /nfs/dbraw/zinc/13/79/72/136137972.db2.gz IXDGSVSNLJFITJ-UHFFFAOYSA-N 0 0 371.393 2.804 50 5 FFBARN CCCOc1cc(NS(=O)(=O)c2ccc(N)cc2)cc([N+](=O)[O-])c1 ZINC000096319151 222114441 /nfs/dbraw/zinc/11/44/41/222114441.db2.gz IOOVWKCMWKTAGE-UHFFFAOYSA-N 0 0 351.384 2.767 50 5 FFBARN O=C1[C@H]2ON=C(c3ccc([N+](=O)[O-])cc3)C2=C(O)N1c1cccc(Cl)c1 ZINC000100905211 222256282 /nfs/dbraw/zinc/25/62/82/222256282.db2.gz GHCHCBRODQXBLY-HIFRSBDPSA-N 0 0 371.736 2.541 50 5 FFBARN Cc1ncc([N+](=O)[O-])n1CCSc1nnnn1-c1ccccc1Cl ZINC000001135793 506249343 /nfs/dbraw/zinc/24/93/43/506249343.db2.gz JPXRROIMZVFJFZ-UHFFFAOYSA-N 0 0 365.806 2.521 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)CCN2C(C)=O ZINC000032744511 506290138 /nfs/dbraw/zinc/29/01/38/506290138.db2.gz ZPZLMDSXQABYEW-UHFFFAOYSA-N 0 0 355.350 2.765 50 5 FFBARN O=C(NCc1ccccc1Cl)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 ZINC000002943488 506304173 /nfs/dbraw/zinc/30/41/73/506304173.db2.gz LOHBODDNWAYKQV-CYBMUJFWSA-N 0 0 373.796 2.918 50 5 FFBARN CCOc1cc(C=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000002984658 506305263 /nfs/dbraw/zinc/30/52/63/506305263.db2.gz PYLTWQWPPRNEAL-UHFFFAOYSA-N 0 0 351.336 2.574 50 5 FFBARN Cc1cc2ccccc2n1CC(=O)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000053275090 506346438 /nfs/dbraw/zinc/34/64/38/506346438.db2.gz SGYBPUFNOYTURJ-SFHVURJKSA-N 0 0 353.378 2.708 50 5 FFBARN COC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1 ZINC000004263273 506368456 /nfs/dbraw/zinc/36/84/56/506368456.db2.gz BKDQBVAUBLOYDY-UHFFFAOYSA-N 0 0 364.379 2.799 50 5 FFBARN CC(=O)Nc1ccc(Nc2cc(C)nc(-n3cc([N+](=O)[O-])cn3)n2)cc1 ZINC000004331238 506373325 /nfs/dbraw/zinc/37/33/25/506373325.db2.gz UILQGZNPRZDMOC-UHFFFAOYSA-N 0 0 353.342 2.581 50 5 FFBARN Cc1ccc(N2C[C@H](NC(=O)c3cccc([N+](=O)[O-])c3C)CC2=O)cc1 ZINC000004496975 506377925 /nfs/dbraw/zinc/37/79/25/506377925.db2.gz IJNAQBVGUSJWIQ-CQSZACIVSA-N 0 0 353.378 2.747 50 5 FFBARN O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000004677714 506388735 /nfs/dbraw/zinc/38/87/35/506388735.db2.gz NWDFJWRJLFKXRQ-UHFFFAOYSA-N 0 0 367.365 2.617 50 5 FFBARN Nc1ccc(C(=O)OCC(=O)N[C@H]2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000004869353 506400998 /nfs/dbraw/zinc/40/09/98/506400998.db2.gz UBLHRGKGNJHOGP-INIZCTEOSA-N 0 0 369.377 2.528 50 5 FFBARN Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 ZINC000004900098 506404561 /nfs/dbraw/zinc/40/45/61/506404561.db2.gz KDUFLICVOCFXBO-UHFFFAOYSA-N 0 0 355.394 2.670 50 5 FFBARN Cc1noc2nc(-c3cccc([N+](=O)[O-])c3)cc(C(=O)N3CCOCC3)c12 ZINC000036618416 506408479 /nfs/dbraw/zinc/40/84/79/506408479.db2.gz SSELLZHLAIOGOH-UHFFFAOYSA-N 0 0 368.349 2.579 50 5 FFBARN C[C@H]1CCN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)OC(C)(C)OC3=O)[C@@H]2C1 ZINC000005425032 506441298 /nfs/dbraw/zinc/44/12/98/506441298.db2.gz ACHWJVLPCCQNFU-NHYWBVRUSA-N 0 0 374.393 2.578 50 5 FFBARN Cn1c2ccccc2c(N2CCN(c3ccccc3)CC2)c([N+](=O)[O-])c1=O ZINC000005516055 506446265 /nfs/dbraw/zinc/44/62/65/506446265.db2.gz JAYUXOZIOMNQSZ-UHFFFAOYSA-N 0 0 364.405 2.773 50 5 FFBARN COc1ccc(CC(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000005937796 506460819 /nfs/dbraw/zinc/46/08/19/506460819.db2.gz MEWKAQRZAYNODT-UHFFFAOYSA-N 0 0 369.333 2.939 50 5 FFBARN C[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)c2ccccc2S1 ZINC000006119859 506468100 /nfs/dbraw/zinc/46/81/00/506468100.db2.gz WKFMCUDMOTZUJS-LBPRGKRZSA-N 0 0 359.407 2.674 50 5 FFBARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000006219949 506471515 /nfs/dbraw/zinc/47/15/15/506471515.db2.gz RKNBAVFJIFKPLP-UHFFFAOYSA-N 0 0 360.322 2.651 50 5 FFBARN O=C(NCc1ccccc1)c1cccn2c(=O)c3cc4c(cc3nc12)OCO4 ZINC000006918941 506517065 /nfs/dbraw/zinc/51/70/65/506517065.db2.gz XNZMCWDQNYIARQ-UHFFFAOYSA-N 0 0 373.368 2.506 50 5 FFBARN COc1ccccc1C(=O)NCCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000006948263 506519124 /nfs/dbraw/zinc/51/91/24/506519124.db2.gz YWIFUQQDBWLUDG-UHFFFAOYSA-N 0 0 361.329 2.501 50 5 FFBARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1cccc([N+](=O)[O-])c1 ZINC000007116089 506535368 /nfs/dbraw/zinc/53/53/68/506535368.db2.gz KENHKOBTBRXPQP-GFCCVEGCSA-N 0 0 354.366 2.771 50 5 FFBARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000007169332 506540397 /nfs/dbraw/zinc/54/03/97/506540397.db2.gz BEVQSYZHIPLEDZ-LBPRGKRZSA-N 0 0 355.350 2.738 50 5 FFBARN COc1ccc(S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1OC ZINC000007405694 506559873 /nfs/dbraw/zinc/55/98/73/506559873.db2.gz VKZFWEVPJAIIDZ-UHFFFAOYSA-N 0 0 356.331 2.552 50 5 FFBARN COc1cc2c(cc1OC)CN(c1nc3sccn3c1[N+](=O)[O-])CC2 ZINC000008318578 506641318 /nfs/dbraw/zinc/64/13/18/506641318.db2.gz QHSFMCBBMMRROV-UHFFFAOYSA-N 0 0 360.395 2.884 50 5 FFBARN COC(=O)c1scc([N+](=O)[O-])c1-c1c([N+](=O)[O-])csc1C(=O)OC ZINC000008431228 506651231 /nfs/dbraw/zinc/65/12/31/506651231.db2.gz KCCWYZAUZHHJSK-UHFFFAOYSA-N 0 0 372.336 2.866 50 5 FFBARN Cc1nn(Cc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c(C)c1[N+](=O)[O-] ZINC000008883720 506671953 /nfs/dbraw/zinc/67/19/53/506671953.db2.gz QBNSSDGKSSNULY-CHWSQXEVSA-N 0 0 372.425 2.706 50 5 FFBARN COc1cc(CSc2nnc(C)n2C)c([N+](=O)[O-])cc1OC(F)F ZINC000009726370 506710484 /nfs/dbraw/zinc/71/04/84/506710484.db2.gz MPUNNFHEGYZXJR-UHFFFAOYSA-N 0 0 360.342 2.934 50 5 FFBARN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(N2CCCC2)cc1 ZINC000010430205 506743076 /nfs/dbraw/zinc/74/30/76/506743076.db2.gz ANGXDEKKDNLAJT-UHFFFAOYSA-N 0 0 368.393 2.564 50 5 FFBARN COc1ccc(-c2nonc2NC(=O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000011913835 506803902 /nfs/dbraw/zinc/80/39/02/506803902.db2.gz BNSPJDXTIBQXKY-UHFFFAOYSA-N 0 0 370.321 2.914 50 5 FFBARN COc1ccc(NC(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)c([N+](=O)[O-])c1 ZINC000012292945 506845264 /nfs/dbraw/zinc/84/52/64/506845264.db2.gz HWPKHOXDOFYEDE-GOSISDBHSA-N 0 0 356.334 2.714 50 5 FFBARN O=C(CN1CCC([C@H](O)c2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000012745625 506893947 /nfs/dbraw/zinc/89/39/47/506893947.db2.gz RBIAPBJCAPVDGO-HXUWFJFHSA-N 0 0 369.421 2.979 50 5 FFBARN O=C(CCn1nc(-c2cccs2)oc1=O)Nc1cccc([N+](=O)[O-])c1 ZINC000012808605 506904595 /nfs/dbraw/zinc/90/45/95/506904595.db2.gz OWHUYPPIPKGWAB-UHFFFAOYSA-N 0 0 360.351 2.502 50 5 FFBARN O=[N+]([O-])c1ccccc1NCCNS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000017333107 507122265 /nfs/dbraw/zinc/12/22/65/507122265.db2.gz BRFULBDRYGWVTE-UHFFFAOYSA-N 0 0 373.793 2.778 50 5 FFBARN CCN(CC)C(=O)c1ccccc1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000058178002 507380600 /nfs/dbraw/zinc/38/06/00/507380600.db2.gz NXYGCRCBNMARCI-UHFFFAOYSA-N 0 0 370.409 2.788 50 5 FFBARN O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1C(=O)Nc1ccccc1 ZINC000024984848 507454053 /nfs/dbraw/zinc/45/40/53/507454053.db2.gz RWYLASQGIZNBJY-MRXNPFEDSA-N 0 0 369.377 2.603 50 5 FFBARN COCCNc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2sccc2C1 ZINC000025325303 507489809 /nfs/dbraw/zinc/48/98/09/507489809.db2.gz OZYWPVCQCRPVQF-UHFFFAOYSA-N 0 0 361.423 2.913 50 5 FFBARN CS(=O)(=O)c1ccc(C(=O)N2CCCCc3ccccc32)cc1[N+](=O)[O-] ZINC000049726910 507635566 /nfs/dbraw/zinc/63/55/66/507635566.db2.gz RKCXPVKJKOBHPM-UHFFFAOYSA-N 0 0 374.418 2.981 50 5 FFBARN COC(=O)[C@@H]1CCC[C@@H]1NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000079066048 507929901 /nfs/dbraw/zinc/92/99/01/507929901.db2.gz HAFUARRUPOPNEI-ZJUUUORDSA-N 0 0 373.312 2.659 50 5 FFBARN COC(=O)c1ccc(N[C@H]2CCc3nc(C(C)C)nn3C2)c([N+](=O)[O-])c1 ZINC000225384563 509368659 /nfs/dbraw/zinc/36/86/59/509368659.db2.gz BSLJFLGXHIDATC-LBPRGKRZSA-N 0 0 359.386 2.523 50 5 FFBARN Cc1c([N+](=O)[O-])ccc(F)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225708025 509383383 /nfs/dbraw/zinc/38/33/83/509383383.db2.gz GCOHWULTZHLYCU-UHFFFAOYSA-N 0 0 355.303 2.751 50 5 FFBARN COc1cccc(OC)c1Sc1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000170606343 509677825 /nfs/dbraw/zinc/67/78/25/509677825.db2.gz REUKSUUIZJPYME-UHFFFAOYSA-N 0 0 359.363 2.771 50 5 FFBARN COc1ccc(NCc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1OC(F)F ZINC000044758806 570898965 /nfs/dbraw/zinc/89/89/65/570898965.db2.gz ONDDSXDVQMZSFA-UHFFFAOYSA-N 0 0 367.308 2.916 50 5 FFBARN COc1cc(C)nc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c43)C2=O)n1 ZINC000824541294 999227406 /nfs/dbraw/zinc/22/74/06/999227406.db2.gz UXIIUJLNQJKJEJ-UHFFFAOYSA-N 0 0 364.317 2.656 50 5 FFBARN O=c1[nH]c2ccccc2nc1/C=C\c1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000096919810 1012457729 /nfs/dbraw/zinc/45/77/29/1012457729.db2.gz CULCUUBQPMUEKI-WAYWQWQTSA-N 0 0 351.318 2.868 50 5 FFBARN COc1cc(/C=C\C(=O)Nc2ccn(C)n2)c([N+](=O)[O-])cc1OC(F)F ZINC000096935590 1012470875 /nfs/dbraw/zinc/47/08/75/1012470875.db2.gz XKAVQBSSDJNORE-ARJAWSKDSA-N 0 0 368.296 2.590 50 5 FFBARN CN1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000170634522 222610105 /nfs/dbraw/zinc/61/01/05/222610105.db2.gz PHAGQYLSRDGKRY-INIZCTEOSA-N 0 0 357.410 2.681 50 5 FFBARN Cc1cc(NC(=O)CSc2nccn2-c2ccc([N+](=O)[O-])cc2)no1 ZINC000002468359 219446178 /nfs/dbraw/zinc/44/61/78/219446178.db2.gz DJABOXNFCHUEBL-UHFFFAOYSA-N 0 0 359.367 2.808 50 5 FFBARN O=C(NC[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccc([N+](=O)[O-])o1 ZINC000008985023 219873083 /nfs/dbraw/zinc/87/30/83/219873083.db2.gz UNUCUPKQIRPWIE-SNVBAGLBSA-N 0 0 363.757 2.624 50 5 FFBARN Cc1c(NC(=O)CN(C)C[C@H]2COc3ccccc3O2)cccc1[N+](=O)[O-] ZINC000016629151 220189264 /nfs/dbraw/zinc/18/92/64/220189264.db2.gz IZRKMCDRNDRTCL-AWEZNQCLSA-N 0 0 371.393 2.614 50 5 FFBARN CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1Cn1ccnc1 ZINC000032902835 211571270 /nfs/dbraw/zinc/57/12/70/211571270.db2.gz SGXVLKXKBWSBOV-UHFFFAOYSA-N 0 0 365.393 2.811 50 5 FFBARN O=C(NCc1ccc(C(=O)N2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000025326932 211429074 /nfs/dbraw/zinc/42/90/74/211429074.db2.gz UXXFXLAMJUTGHN-UHFFFAOYSA-N 0 0 353.378 2.761 50 5 FFBARN CC[C@@H]1CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCO1 ZINC000023894137 211397426 /nfs/dbraw/zinc/39/74/26/211397426.db2.gz QWGCSWMDKVRYCC-OAHLLOKOSA-N 0 0 350.418 2.792 50 5 FFBARN Cc1ccc(NC(=O)[C@H](c2cccc([N+](=O)[O-])c2)N2CCOCC2)cc1 ZINC000022028043 211335784 /nfs/dbraw/zinc/33/57/84/211335784.db2.gz VJXJVGFTMDIEQI-SFHVURJKSA-N 0 0 355.394 2.915 50 5 FFBARN CC(=O)NC1=NN(C(C)=O)[C@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S1 ZINC000020895549 211299604 /nfs/dbraw/zinc/29/96/04/211299604.db2.gz BJXLKFMVYHTHBP-HNNXBMFYSA-N 0 0 374.378 2.856 50 5 FFBARN O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)NCCc1ccccc1 ZINC000015987791 211151621 /nfs/dbraw/zinc/15/16/21/211151621.db2.gz QPMOIIUXQNCCII-UHFFFAOYSA-N 0 0 356.407 2.922 50 5 FFBARN COC(=O)c1cc(C(=O)N(C)Cc2cccc(OC)c2)cc([N+](=O)[O-])c1 ZINC000015354709 211126552 /nfs/dbraw/zinc/12/65/52/211126552.db2.gz ZXYDWQSSOWJNDL-UHFFFAOYSA-N 0 0 358.350 2.662 50 5 FFBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCCC2=O)cc1 ZINC000014216033 211086014 /nfs/dbraw/zinc/08/60/14/211086014.db2.gz PEAKPAUBGDWZFD-UHFFFAOYSA-N 0 0 355.350 2.739 50 5 FFBARN Cc1cc(C(=O)NC[C@H](c2ccccc2)N2CCOCC2)ccc1[N+](=O)[O-] ZINC000013012392 211021295 /nfs/dbraw/zinc/02/12/95/211021295.db2.gz LBQHNOACDHSBFA-LJQANCHMSA-N 0 0 369.421 2.707 50 5 FFBARN Cc1ccc([N+](=O)[O-])c(OCC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c1 ZINC000012877843 211001841 /nfs/dbraw/zinc/00/18/41/211001841.db2.gz YYIPOAPZQYRTEG-UHFFFAOYSA-N 0 0 357.366 2.729 50 5 FFBARN COC(=O)c1cc(NC(=O)COc2ccccc2[N+](=O)[O-])c(F)cc1F ZINC000012796982 210994954 /nfs/dbraw/zinc/99/49/54/210994954.db2.gz MXJMXBIOIYPKHA-UHFFFAOYSA-N 0 0 366.276 2.677 50 5 FFBARN CC(C)n1nnnc1S[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000012796092 210993772 /nfs/dbraw/zinc/99/37/72/210993772.db2.gz FWOODOMMPJSBAC-MRVPVSSYSA-N 0 0 370.822 2.935 50 5 FFBARN CC(=O)c1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000009872459 210854772 /nfs/dbraw/zinc/85/47/72/210854772.db2.gz KDQXGJOFPDSXPH-LBPRGKRZSA-N 0 0 356.334 2.981 50 5 FFBARN O=c1c(-c2ccccc2)nnc2sc(-c3cccc([N+](=O)[O-])c3)nn21 ZINC000008393688 210784796 /nfs/dbraw/zinc/78/47/96/210784796.db2.gz CSAMCMLFZGQZGD-UHFFFAOYSA-N 0 0 351.347 2.788 50 5 FFBARN NC(=O)COC(=O)c1ccc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000007002978 210723644 /nfs/dbraw/zinc/72/36/44/210723644.db2.gz OSIDXZMUOZWTCA-UHFFFAOYSA-N 0 0 350.327 2.527 50 5 FFBARN CCOC(=O)CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])ccc2Cl)C1=O ZINC000004694629 210553967 /nfs/dbraw/zinc/55/39/67/210553967.db2.gz QDXIARCHQRYFLK-IZZDOVSWSA-N 0 0 370.770 2.848 50 5 FFBARN O=[N+]([O-])c1cc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)ccc1F ZINC000003399203 210473763 /nfs/dbraw/zinc/47/37/63/210473763.db2.gz XWJGBHHMPXGZMH-UHFFFAOYSA-N 0 0 368.342 2.696 50 5 FFBARN Cc1cc([N+](=O)[O-])nn1CCNC(=S)Nc1ccccc1OC(F)F ZINC000002728248 210416902 /nfs/dbraw/zinc/41/69/02/210416902.db2.gz POZNPLOUDUCREZ-UHFFFAOYSA-N 0 0 371.369 2.688 50 5 FFBARN CCCOC(=O)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O ZINC000002062750 210377987 /nfs/dbraw/zinc/37/79/87/210377987.db2.gz HKJSYQBWZHJHMJ-UHFFFAOYSA-N 0 0 354.318 2.962 50 5 FFBARN COc1ccc2[nH]cc(CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c2c1 ZINC000002204753 210383469 /nfs/dbraw/zinc/38/34/69/210383469.db2.gz APFPVFXWFVTEMN-UHFFFAOYSA-N 0 0 365.345 2.923 50 5 FFBARN CCc1nc2oc3cc(OC)ccc3c(=O)c2c(=O)n1Cc1ccco1 ZINC000002198264 210382892 /nfs/dbraw/zinc/38/28/92/210382892.db2.gz BKAPQHUNEAUVSH-UHFFFAOYSA-N 0 0 352.346 2.715 50 5 FFBARN CC(=O)Nc1ccccc1C(=O)OCC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000001858835 210372396 /nfs/dbraw/zinc/37/23/96/210372396.db2.gz IDDACQXORKKQSH-UHFFFAOYSA-N 0 0 356.334 2.901 50 5 FFBARN CCCN1c2ccccc2[C@](O)(CC(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000001130028 210321488 /nfs/dbraw/zinc/32/14/88/210321488.db2.gz JOGBLIXRZSBREG-LJQANCHMSA-N 0 0 354.362 2.812 50 5 FFBARN COc1ccccc1NC(=O)Cn1nc([N+](=O)[O-])c(Br)c1C ZINC000001068959 210312560 /nfs/dbraw/zinc/31/25/60/210312560.db2.gz GCOIFZPDHXLLFA-UHFFFAOYSA-N 0 0 369.175 2.510 50 5 FFBARN Cc1cc(C)cc(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 ZINC000000850455 210280787 /nfs/dbraw/zinc/28/07/87/210280787.db2.gz MIJLYXYYCZIKER-UHFFFAOYSA-N 0 0 367.361 2.836 50 5 FFBARN CCc1ccccc1NC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000000850456 210280186 /nfs/dbraw/zinc/28/01/86/210280186.db2.gz HJFYMVSMAPBPOT-UHFFFAOYSA-N 0 0 367.361 2.782 50 5 FFBARN C[C@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C)CC1 ZINC000009352474 210273140 /nfs/dbraw/zinc/27/31/40/210273140.db2.gz AXLBDAUGIXOSCB-ZDUSSCGKSA-N 0 0 366.439 2.877 50 5 FFBARN C[C@H](Oc1ccc(Cl)cc1)C(=O)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000032999817 220708503 /nfs/dbraw/zinc/70/85/03/220708503.db2.gz RNRXZSOEXYIMOG-MEDUHNTESA-N 0 0 364.785 2.865 50 5 FFBARN Nc1nccc([C@@H]2CCCN(c3ccc4ncccc4c3[N+](=O)[O-])C2)n1 ZINC000170616223 132264756 /nfs/dbraw/zinc/26/47/56/132264756.db2.gz GMVVDXBMOXVDST-GFCCVEGCSA-N 0 0 350.382 2.899 50 5 FFBARN O=[N+]([O-])c1ccc(N2CCN(c3ccc(Cl)nn3)CC2)cc1NC1CC1 ZINC000004091919 132386356 /nfs/dbraw/zinc/38/63/56/132386356.db2.gz LSANJHICYUOMAV-UHFFFAOYSA-N 0 0 374.832 2.939 50 5 FFBARN Cc1ccc(Nc2nc(N3C[C@@H](C)O[C@H](C)C3)nc(N)c2[N+](=O)[O-])cc1 ZINC000004305899 132386654 /nfs/dbraw/zinc/38/66/54/132386654.db2.gz MOHGDLGFZCYOFA-VXGBXAGGSA-N 0 0 358.402 2.633 50 5 FFBARN CNc1cc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)ccc1[N+](=O)[O-] ZINC000004311943 132386810 /nfs/dbraw/zinc/38/68/10/132386810.db2.gz VBUMZXDOJRETGM-UHFFFAOYSA-N 0 0 370.409 2.608 50 5 FFBARN CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000024191499 132910642 /nfs/dbraw/zinc/91/06/42/132910642.db2.gz WELUAALLSZMUGD-UHFFFAOYSA-N 0 0 355.394 2.704 50 5 FFBARN O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000047254607 136122683 /nfs/dbraw/zinc/12/26/83/136122683.db2.gz RUGQCLOPRATAQH-LLVKDONJSA-N 0 0 361.789 2.893 50 5 FFBARN O=C(Cn1ccc2ccccc21)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000032070927 506227857 /nfs/dbraw/zinc/22/78/57/506227857.db2.gz ZEYYQBBACFOGSI-UHFFFAOYSA-N 0 0 364.405 2.898 50 5 FFBARN COc1ccc(N2C[C@H](C(=O)N(C)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1 ZINC000032769189 506293473 /nfs/dbraw/zinc/29/34/73/506293473.db2.gz RQTLYFPQIMGMPR-CYBMUJFWSA-N 0 0 369.377 2.619 50 5 FFBARN Cc1cc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)no1 ZINC000002866235 506298374 /nfs/dbraw/zinc/29/83/74/506298374.db2.gz WRBNRGGGQOYZRB-UHFFFAOYSA-N 0 0 361.339 2.672 50 5 FFBARN CCOC(=O)CSc1ccc(C(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000003020312 506306482 /nfs/dbraw/zinc/30/64/82/506306482.db2.gz JAJIBRRFPNTGOL-UHFFFAOYSA-N 0 0 352.412 2.876 50 5 FFBARN CC(C)CC[C@H](C)NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000032895368 506307708 /nfs/dbraw/zinc/30/77/08/506307708.db2.gz OOMOHJAYGPKCNF-LBPRGKRZSA-N 0 0 372.443 2.859 50 5 FFBARN CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)O[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000003092317 506309503 /nfs/dbraw/zinc/30/95/03/506309503.db2.gz YMUNHWZQVPHLKF-MRXNPFEDSA-N 0 0 356.294 2.742 50 5 FFBARN O=C(OCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000003244989 506315093 /nfs/dbraw/zinc/31/50/93/506315093.db2.gz RHTBBFYTGCNDIJ-MRXNPFEDSA-N 0 0 354.362 2.687 50 5 FFBARN O=C(COC(=O)c1ccc([N+](=O)[O-])o1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000003264127 506316244 /nfs/dbraw/zinc/31/62/44/506316244.db2.gz CMGIJBOQYXTBNQ-UHFFFAOYSA-N 0 0 369.673 2.545 50 5 FFBARN O=C(Nc1cccc2c1C(=O)NC2=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000004078786 506356246 /nfs/dbraw/zinc/35/62/46/506356246.db2.gz FVHJAVCXENAJOF-UHFFFAOYSA-N 0 0 367.342 2.945 50 5 FFBARN COC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@@H](c2ccc([N+](=O)[O-])cc2)N1 ZINC000034792226 506370059 /nfs/dbraw/zinc/37/00/59/506370059.db2.gz PMTFLAWFQMHLPS-IAGOWNOFSA-N 0 0 351.362 2.853 50 5 FFBARN C[C@H]1CC(=O)N(c2ccc(NCCc3ccccn3)c([N+](=O)[O-])c2)C1=O ZINC000004684330 506388561 /nfs/dbraw/zinc/38/85/61/506388561.db2.gz IUGRUUIVGOQHNP-LBPRGKRZSA-N 0 0 354.366 2.544 50 5 FFBARN COCCNC(=O)c1sc2nc(-c3cccc([N+](=O)[O-])c3)cn2c1C ZINC000004931081 506406543 /nfs/dbraw/zinc/40/65/43/506406543.db2.gz MVNMBFWAYYQHHC-UHFFFAOYSA-N 0 0 360.395 2.656 50 5 FFBARN COc1cccc(N2C[C@H](C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2=O)c1 ZINC000005028128 506415477 /nfs/dbraw/zinc/41/54/77/506415477.db2.gz HBRDOGLWOVYKGX-GFCCVEGCSA-N 0 0 355.350 2.595 50 5 FFBARN O=C(Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)N1CCC[C@H]1c1cccs1 ZINC000036735380 506416585 /nfs/dbraw/zinc/41/65/85/506416585.db2.gz QRMSKZNRBIVRRH-LBPRGKRZSA-N 0 0 373.390 2.928 50 5 FFBARN COCCn1c2nc3ccccc3nc2c2c1nc(C)n(CC(C)C)c2=O ZINC000005065409 506418721 /nfs/dbraw/zinc/41/87/21/506418721.db2.gz CMXDBENZJGFOLP-UHFFFAOYSA-N 0 0 365.437 2.905 50 5 FFBARN O=C(Oc1ccccc1C(=S)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000005092014 506420690 /nfs/dbraw/zinc/42/06/90/506420690.db2.gz IAXHQNUAFYGEFG-UHFFFAOYSA-N 0 0 372.402 2.822 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1sccc1C ZINC000005110659 506422789 /nfs/dbraw/zinc/42/27/89/506422789.db2.gz WRMXCFSMSABQOY-UHFFFAOYSA-N 0 0 350.352 2.769 50 5 FFBARN COc1ccc(OC)c(Nc2nc(N3CCCCC3)nc(N)c2[N+](=O)[O-])c1 ZINC000005137602 506424593 /nfs/dbraw/zinc/42/45/93/506424593.db2.gz UOCMRPJVIOEWKN-UHFFFAOYSA-N 0 0 374.401 2.718 50 5 FFBARN Nc1nc(Nc2cccc(Cl)c2)nc(NC[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000005195909 506428745 /nfs/dbraw/zinc/42/87/45/506428745.db2.gz CFGJJTDJZIRDAB-LLVKDONJSA-N 0 0 364.793 2.955 50 5 FFBARN O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000006974735 506521772 /nfs/dbraw/zinc/52/17/72/506521772.db2.gz KMSDGVGSVCQZLP-KRWDZBQOSA-N 0 0 364.361 2.739 50 5 FFBARN COc1cc(NC(=O)CSc2nnc(C(C)C)[nH]2)c(C)cc1[N+](=O)[O-] ZINC000007166856 506540138 /nfs/dbraw/zinc/54/01/38/506540138.db2.gz UUDBAWJGPBINKH-UHFFFAOYSA-N 0 0 365.415 2.884 50 5 FFBARN COc1cc(C)c(C(C)C)cc1S(=O)(=O)n1c(C)ncc1[N+](=O)[O-] ZINC000007425122 506561827 /nfs/dbraw/zinc/56/18/27/506561827.db2.gz YCOIACLJUBXJIM-UHFFFAOYSA-N 0 0 353.400 2.777 50 5 FFBARN COc1ccc(-c2noc(CNC(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)cc1 ZINC000007759570 506587622 /nfs/dbraw/zinc/58/76/22/506587622.db2.gz BAPAZZPWHUHMCL-UHFFFAOYSA-N 0 0 368.349 2.892 50 5 FFBARN CN1CCN(c2ccc(C(=O)N3CCc4ccccc43)cc2[N+](=O)[O-])CC1 ZINC000008706843 506661740 /nfs/dbraw/zinc/66/17/40/506661740.db2.gz IBOPATNJOZXTBK-UHFFFAOYSA-N 0 0 366.421 2.550 50 5 FFBARN CSc1nc2nc(C)c(CC(=O)Nc3cccc([N+](=O)[O-])c3)c(C)n2n1 ZINC000008941948 506673949 /nfs/dbraw/zinc/67/39/49/506673949.db2.gz LYGZADYEYVRXJG-UHFFFAOYSA-N 0 0 372.410 2.552 50 5 FFBARN CC(=O)NC(=O)c1cc2ccccc2o/c1=N\c1cccc([N+](=O)[O-])c1 ZINC000009553794 506703363 /nfs/dbraw/zinc/70/33/63/506703363.db2.gz TZJISOAEYVVLOB-ZZEZOPTASA-N 0 0 351.318 2.850 50 5 FFBARN Cc1sc2ncnc(N[C@H](CO)[C@@H](O)c3ccc([N+](=O)[O-])cc3)c2c1C ZINC000011170345 506767876 /nfs/dbraw/zinc/76/78/76/506767876.db2.gz HAGOYDBUFBWQDO-HIFRSBDPSA-N 0 0 374.422 2.723 50 5 FFBARN COC(=O)c1cc(C(=O)Nc2ccc3c(c2)OCCCO3)cc([N+](=O)[O-])c1 ZINC000011758866 506793703 /nfs/dbraw/zinc/79/37/03/506793703.db2.gz GLHWKYYGTUHOFG-UHFFFAOYSA-N 0 0 372.333 2.795 50 5 FFBARN COc1ccc(NC(=O)CNc2cc(NC(C)=O)ccc2C)c([N+](=O)[O-])c1 ZINC000055841756 506867535 /nfs/dbraw/zinc/86/75/35/506867535.db2.gz YGSALVPJZCKDIF-UHFFFAOYSA-N 0 0 372.381 2.921 50 5 FFBARN NS(=O)(=O)c1ccc(N2CCC[C@@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000012552717 506878461 /nfs/dbraw/zinc/87/84/61/506878461.db2.gz ZPDGYXSSTKHYEA-GFCCVEGCSA-N 0 0 353.425 2.645 50 5 FFBARN CNc1ccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1[N+](=O)[O-] ZINC000012564224 506880473 /nfs/dbraw/zinc/88/04/73/506880473.db2.gz BYGVVHUKGXUFLH-UHFFFAOYSA-N 0 0 354.366 2.781 50 5 FFBARN CNc1ccc(C(=O)NCc2ccc(Cn3cccn3)cc2)cc1[N+](=O)[O-] ZINC000012625831 506886181 /nfs/dbraw/zinc/88/61/81/506886181.db2.gz UNKVDCHYQNYXHI-UHFFFAOYSA-N 0 0 365.393 2.811 50 5 FFBARN Cc1nn(-c2ccccc2)c(C)c1C(=O)OCCn1c(C)ncc1[N+](=O)[O-] ZINC000056219306 506963950 /nfs/dbraw/zinc/96/39/50/506963950.db2.gz NYGWJCUVLWBZDU-UHFFFAOYSA-N 0 0 369.381 2.759 50 5 FFBARN NC(=O)c1ccc(NCC2(c3cccc(F)c3)CCOCC2)c([N+](=O)[O-])c1 ZINC000058160192 507376478 /nfs/dbraw/zinc/37/64/78/507376478.db2.gz KTODGGRZDWZBRZ-UHFFFAOYSA-N 0 0 373.384 2.993 50 5 FFBARN CN(Cc1ccc(F)cc1F)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000024207307 507397535 /nfs/dbraw/zinc/39/75/35/507397535.db2.gz MYWZTLHWTOTOSO-UHFFFAOYSA-N 0 0 356.350 2.913 50 5 FFBARN COc1ccc(-c2csc(NC(=O)CCn3cnc([N+](=O)[O-])c3)n2)cc1 ZINC000024576205 507421281 /nfs/dbraw/zinc/42/12/81/507421281.db2.gz AOAUHZDUEPVUKU-UHFFFAOYSA-N 0 0 373.394 2.952 50 5 FFBARN CN(C)c1ccc2cc3ccc(N(C)C)cc3[n+](CCCC(=O)[O-])c2c1 ZINC000025758037 507529039 /nfs/dbraw/zinc/52/90/39/507529039.db2.gz MKQMNDVKTPYYKZ-UHFFFAOYSA-O 0 0 352.458 2.709 50 5 in-vitro FFBARN Cc1nccn1-c1ccc([C@H](C)Nc2ncc([N+](=O)[O-])cc2C(N)=O)cc1 ZINC000075106775 508083464 /nfs/dbraw/zinc/08/34/64/508083464.db2.gz UNQMMXLYDVRILT-NSHDSACASA-N 0 0 366.381 2.756 50 5 FFBARN Cc1cc2c(nc3sc(=Cc4ccc([N+](=O)[O-])cc4)c(=O)n23)c(C)c1 ZINC000252666035 509858465 /nfs/dbraw/zinc/85/84/65/509858465.db2.gz AHCYICCWJXFIIP-UHFFFAOYSA-N 0 0 351.387 2.982 50 5 FFBARN COC(=O)c1cccc([N+](=O)[O-])c1CN1CCN(c2ccccc2)CC1 ZINC000059846816 536813335 /nfs/dbraw/zinc/81/33/35/536813335.db2.gz ITZNCTTVIPOHOY-UHFFFAOYSA-N 0 0 355.394 2.704 50 5 FFBARN COCC(=O)Nc1ccc(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)cc1 ZINC000097002939 1012541712 /nfs/dbraw/zinc/54/17/12/1012541712.db2.gz LKBSKLSPHMBUQD-YHYXMXQVSA-N 0 0 355.350 2.832 50 5 FFBARN Cc1ccc(-n2c(SCC(N)=O)nnc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000907436 219338600 /nfs/dbraw/zinc/33/86/00/219338600.db2.gz AMGDDTKSHLMZRH-UHFFFAOYSA-N 0 0 369.406 2.728 50 5 FFBARN NC(=O)c1ccc(NCCNc2ncccc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000058130492 211986189 /nfs/dbraw/zinc/98/61/89/211986189.db2.gz RJFKQAADFOPHFN-UHFFFAOYSA-N 0 0 369.303 2.632 50 5 FFBARN CCN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000057745153 211979816 /nfs/dbraw/zinc/97/98/16/211979816.db2.gz QHCBCZXUZKTCRU-UHFFFAOYSA-N 0 0 355.329 2.981 50 5 FFBARN NS(=O)(=O)c1ccc(N2CCC[C@@H]2c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000052510583 211909193 /nfs/dbraw/zinc/90/91/93/211909193.db2.gz WQHUMCQYBVNQAV-CQSZACIVSA-N 0 0 365.386 2.723 50 5 FFBARN CCOC(=O)Cc1csc(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)n1 ZINC000016671819 220191084 /nfs/dbraw/zinc/19/10/84/220191084.db2.gz CWQXJBVFJGEMMP-SREVYHEPSA-N 0 0 361.379 2.809 50 5 FFBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCCNC(=O)c1ccco1 ZINC000025831986 211437474 /nfs/dbraw/zinc/43/74/74/211437474.db2.gz SKBSZNNGXIGQKA-CYBMUJFWSA-N 0 0 359.382 2.917 50 5 FFBARN O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H](CN1CCOCC1)c1ccccc1 ZINC000017743617 211187179 /nfs/dbraw/zinc/18/71/79/211187179.db2.gz VCDWSEMBMCQXCZ-SFHVURJKSA-N 0 0 370.409 2.790 50 5 FFBARN Cc1nn(Cc2c(C)onc2C(=O)NC2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000017074398 211177744 /nfs/dbraw/zinc/17/77/44/211177744.db2.gz OTIUOUZMNXFCAJ-UHFFFAOYSA-N 0 0 361.402 2.815 50 5 FFBARN CCn1ccc2c(OCC(=O)Nc3cccc([N+](=O)[O-])c3)cccc2c1=O ZINC000015882449 211149528 /nfs/dbraw/zinc/14/95/28/211149528.db2.gz DMHULJWLJDGOFL-UHFFFAOYSA-N 0 0 367.361 2.947 50 5 FFBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCNC(=O)c1cccs1 ZINC000015179647 211124045 /nfs/dbraw/zinc/12/40/45/211124045.db2.gz RYNPLCHKEAQIKG-LBPRGKRZSA-N 0 0 361.423 2.996 50 5 FFBARN Cn1nnnc1-c1cccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000014517077 211092910 /nfs/dbraw/zinc/09/29/10/211092910.db2.gz FJFIMURAVYKTBE-UHFFFAOYSA-N 0 0 358.745 2.691 50 5 FFBARN C[C@@H]1Cc2ccccc2N1C(=O)COc1ncnc2cc([N+](=O)[O-])ccc21 ZINC000013778618 211058945 /nfs/dbraw/zinc/05/89/45/211058945.db2.gz RBCAWXOIKOQVAI-GFCCVEGCSA-N 0 0 364.361 2.895 50 5 FFBARN CC(C)NC(=O)c1ccc(NCc2cn3ccccc3n2)c([N+](=O)[O-])c1 ZINC000009156650 210818513 /nfs/dbraw/zinc/81/85/13/210818513.db2.gz AWLKZLBFSHUTLP-UHFFFAOYSA-N 0 0 353.382 2.993 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccc(C)c(F)c1 ZINC000008259610 210776852 /nfs/dbraw/zinc/77/68/52/210776852.db2.gz VQSMFNVGNKXQRL-UHFFFAOYSA-N 0 0 362.313 2.846 50 5 FFBARN CCOCCCNC(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000007777005 210754553 /nfs/dbraw/zinc/75/45/53/210754553.db2.gz XYPNCWJDMLWDFR-UHFFFAOYSA-N 0 0 355.441 2.839 50 5 FFBARN C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N)C(=O)Nc1ccc(F)cc1F ZINC000007206849 210731306 /nfs/dbraw/zinc/73/13/06/210731306.db2.gz ROIBIMQEYMNOSD-MRVPVSSYSA-N 0 0 365.292 2.639 50 5 FFBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000005915877 210648343 /nfs/dbraw/zinc/64/83/43/210648343.db2.gz FSIOCWKHEYLWTM-UHFFFAOYSA-N 0 0 362.338 2.882 50 5 FFBARN Cc1ccc(-c2c3c(cn2C(C)(C)C)n(C)c(=O)n(C)c3=O)cc1[N+](=O)[O-] ZINC000005345707 210615450 /nfs/dbraw/zinc/61/54/50/210615450.db2.gz GVFIRPGYLRBFFO-UHFFFAOYSA-N 0 0 370.409 2.677 50 5 FFBARN COc1cccc(Nc2nc(N)c([N+](=O)[O-])c(NCc3ccco3)n2)c1 ZINC000005161849 210604224 /nfs/dbraw/zinc/60/42/24/210604224.db2.gz UHBLKYYIRALZHO-UHFFFAOYSA-N 0 0 356.342 2.924 50 5 FFBARN CN1C2=C(C(=O)N(c3ccc([N+](=O)[O-])cc3)C2)[C@@H](c2ccccc2)NC1=O ZINC000004726735 210556354 /nfs/dbraw/zinc/55/63/54/210556354.db2.gz ZPXSNTMZLSLATH-QGZVFWFLSA-N 0 0 364.361 2.592 50 5 FFBARN COc1ccc(OC)c(C2=N/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)O2)c1 ZINC000004589578 210543695 /nfs/dbraw/zinc/54/36/95/210543695.db2.gz WMHUNQWRELLKHZ-DHDCSXOGSA-N 0 0 354.318 2.957 50 5 FFBARN Cn1c(-c2cccc([N+](=O)[O-])c2)cnc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000004385535 210528899 /nfs/dbraw/zinc/52/88/99/210528899.db2.gz ZLBRTCUWFVSGLS-UHFFFAOYSA-N 0 0 367.321 2.578 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc2ccccn21 ZINC000003496135 210482640 /nfs/dbraw/zinc/48/26/40/210482640.db2.gz WZLIPQCLVGWGPE-JTQLQIEISA-N 0 0 373.394 2.765 50 5 FFBARN O=C(N/C(=C/c1ccco1)C(=O)N1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000001232198 210337999 /nfs/dbraw/zinc/33/79/99/210337999.db2.gz PIGGNSAHTIZGIE-GHRIWEEISA-N 0 0 369.377 2.971 50 5 FFBARN CCOC(=O)C1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000001226952 210337593 /nfs/dbraw/zinc/33/75/93/210337593.db2.gz PHTAMBMUQWHXLX-OAHLLOKOSA-N 0 0 356.334 2.558 50 5 FFBARN COC(=O)c1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000001179741 210330664 /nfs/dbraw/zinc/33/06/64/210330664.db2.gz OBIIAKPYPMKNKK-UHFFFAOYSA-N 0 0 373.390 2.817 50 5 FFBARN CSc1cccc(NC(=O)Cn2cc(Br)c([N+](=O)[O-])n2)c1 ZINC000001125770 210321849 /nfs/dbraw/zinc/32/18/49/210321849.db2.gz WXYIWVUKIXHYQC-UHFFFAOYSA-N 0 0 371.216 2.914 50 5 FFBARN O=C(NC[C@H]1CCCO1)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000001115107 210319266 /nfs/dbraw/zinc/31/92/66/210319266.db2.gz ANXRXBJOHOQQPE-QGZVFWFLSA-N 0 0 369.377 2.756 50 5 FFBARN COc1ccc(OC)c(CN2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000000865123 210282354 /nfs/dbraw/zinc/28/23/54/210282354.db2.gz KJJAGWYTCOJMBK-UHFFFAOYSA-N 0 0 371.437 2.930 50 5 FFBARN O=[N+]([O-])c1ccc(NCCO)c(NCc2nc(-c3ccsc3)no2)c1 ZINC000022025012 220373516 /nfs/dbraw/zinc/37/35/16/220373516.db2.gz GNOHIFYNNRVTQE-UHFFFAOYSA-N 0 0 361.383 2.723 50 5 FFBARN Cc1c(C(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000065523920 221229093 /nfs/dbraw/zinc/22/90/93/221229093.db2.gz UHUNUHLDKDLQHK-QGZVFWFLSA-N 0 0 353.378 2.607 50 5 FFBARN COc1cc(Br)c(I)c([N+](=O)[O-])c1 ZINC000067799987 221287014 /nfs/dbraw/zinc/28/70/14/221287014.db2.gz APJYPPWBWCHKCJ-UHFFFAOYSA-N 0 0 357.929 2.971 50 5 FFBARN C[C@H](Oc1ccccc1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004663476 132387032 /nfs/dbraw/zinc/38/70/32/132387032.db2.gz MCUKTXHBDIWXGN-HNNXBMFYSA-N 0 0 355.394 2.711 50 5 FFBARN O=C(c1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCOCC1 ZINC000004256055 132823172 /nfs/dbraw/zinc/82/31/72/132823172.db2.gz GQFSJGWSUGXZBP-UHFFFAOYSA-N 0 0 357.322 2.571 50 5 FFBARN CCCC(=O)N1CCN(c2cc(N3CCCC3)c(F)cc2[N+](=O)[O-])CC1 ZINC000004543813 132823513 /nfs/dbraw/zinc/82/35/13/132823513.db2.gz SZCMJOCTBQJMDW-UHFFFAOYSA-N 0 0 364.421 2.783 50 5 FFBARN Cc1onc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c1[N+](=O)[O-] ZINC000004884878 132825126 /nfs/dbraw/zinc/82/51/26/132825126.db2.gz HWJBINJCVFJUPX-UHFFFAOYSA-N 0 0 364.789 2.815 50 5 FFBARN C[C@H]1CC[C@H](C(N)=O)CN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000042739824 136121388 /nfs/dbraw/zinc/12/13/88/136121388.db2.gz CJKMKSPUALZAPQ-BBRMVZONSA-N 0 0 367.405 2.916 50 5 FFBARN C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000057722458 136130051 /nfs/dbraw/zinc/13/00/51/136130051.db2.gz GZNWYFRJXODHLJ-YESZJQIVSA-N 0 0 374.485 2.895 50 5 FFBARN O=C1[C@@H]2ON=C(c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000103559623 222337864 /nfs/dbraw/zinc/33/78/64/222337864.db2.gz ZHUAXXIMKWNYMN-DZGCQCFKSA-N 0 0 371.736 2.541 50 5 FFBARN COc1ccc(C(C)=O)cc1COC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000032724192 506283688 /nfs/dbraw/zinc/28/36/88/506283688.db2.gz HGCKDNHHQWLASI-UHFFFAOYSA-N 0 0 373.317 2.892 50 5 FFBARN Cc1nnc2sc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)nn12 ZINC000002850417 506295949 /nfs/dbraw/zinc/29/59/49/506295949.db2.gz OERUKUITIZTOHQ-UHFFFAOYSA-N 0 0 370.350 2.915 50 5 FFBARN CC(C)CC[C@@H](C)NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000032895367 506306597 /nfs/dbraw/zinc/30/65/97/506306597.db2.gz OOMOHJAYGPKCNF-GFCCVEGCSA-N 0 0 372.443 2.859 50 5 FFBARN COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccnc2)c([N+](=O)[O-])c1 ZINC000032895761 506307732 /nfs/dbraw/zinc/30/77/32/506307732.db2.gz RFUDXXKSNXOMHX-CQSZACIVSA-N 0 0 363.395 2.524 50 5 FFBARN C[C@@H](Oc1ccc(Cl)cc1)C(=O)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000032999818 506322968 /nfs/dbraw/zinc/32/29/68/506322968.db2.gz RNRXZSOEXYIMOG-BZNIZROVSA-N 0 0 364.785 2.865 50 5 FFBARN O=C(COC(=O)c1c(F)cccc1F)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000003397174 506327238 /nfs/dbraw/zinc/32/72/38/506327238.db2.gz NJDKNFDCGXMTGX-UHFFFAOYSA-N 0 0 354.240 2.808 50 5 FFBARN C[C@@H]1C[C@H](C)CN(C(=O)COC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000003499594 506336135 /nfs/dbraw/zinc/33/61/35/506336135.db2.gz CFHIAQAMZOBSFA-PHIMTYICSA-N 0 0 354.790 2.910 50 5 FFBARN CC(C)OC[C@@H]1C[C@H](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C(=O)O1 ZINC000004132660 506360940 /nfs/dbraw/zinc/36/09/40/506360940.db2.gz YBAGMGBNHBRAAY-WFASDCNBSA-N 0 0 350.371 2.670 50 5 FFBARN CC(=O)OCCN1C(=O)c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C1=O ZINC000004156828 506362219 /nfs/dbraw/zinc/36/22/19/506362219.db2.gz OTCIHBPMXXWCQC-UHFFFAOYSA-N 0 0 370.317 2.546 50 5 FFBARN O=[N+]([O-])c1c2nonc2c(NCCc2ccccc2)cc1N1CCOCC1 ZINC000004367369 506372956 /nfs/dbraw/zinc/37/29/56/506372956.db2.gz PGYPKSVMTJVJNA-UHFFFAOYSA-N 0 0 369.381 2.622 50 5 FFBARN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000004497457 506378906 /nfs/dbraw/zinc/37/89/06/506378906.db2.gz XEFBSKFOHDDEDX-ITOFIOBYSA-N 0 0 369.352 2.669 50 5 FFBARN O=C(CSc1nncn1-c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000004835265 506397537 /nfs/dbraw/zinc/39/75/37/506397537.db2.gz XIKRFMWQJYUUPM-UHFFFAOYSA-N 0 0 355.379 2.906 50 5 FFBARN Cc1cc2nc3s/c(=C/c4ccccc4[N+](=O)[O-])c(=O)n3c2cc1C ZINC000004854401 506398793 /nfs/dbraw/zinc/39/87/93/506398793.db2.gz FZQOGKWKGUUQDQ-CXUHLZMHSA-N 0 0 351.387 2.982 50 5 FFBARN COC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(OC)cc1 ZINC000004893250 506402028 /nfs/dbraw/zinc/40/20/28/506402028.db2.gz JAWGLPSGCCLFJW-WJDWOHSUSA-N 0 0 356.334 2.547 50 5 FFBARN COc1cccc(Nc2nc(N)c([N+](=O)[O-])c(N3CCC(C)CC3)n2)c1 ZINC000005215536 506428735 /nfs/dbraw/zinc/42/87/35/506428735.db2.gz NUFCRLVVDKIKIW-UHFFFAOYSA-N 0 0 358.402 2.956 50 5 FFBARN Cc1ccc(OCCC(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000005261921 506431550 /nfs/dbraw/zinc/43/15/50/506431550.db2.gz VFRNOWMOZGRZES-UHFFFAOYSA-N 0 0 358.350 2.854 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C)nc2c1c(C)nn2C ZINC000040040445 506459392 /nfs/dbraw/zinc/45/93/92/506459392.db2.gz ZNLOCQKWEMGQCZ-UHFFFAOYSA-N 0 0 355.354 2.754 50 5 FFBARN CC(C)CCC(=O)N1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000040157620 506477208 /nfs/dbraw/zinc/47/72/08/506477208.db2.gz OQTWGLLWLCCYBI-UHFFFAOYSA-N 0 0 367.833 2.969 50 5 FFBARN CCCNS(=O)(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000007262429 506548507 /nfs/dbraw/zinc/54/85/07/506548507.db2.gz ITGNZNGTHSHVFL-UHFFFAOYSA-N 0 0 363.395 2.535 50 5 FFBARN Cc1ccc(S(=O)(=O)NCCCn2cnc3ccccc32)cc1[N+](=O)[O-] ZINC000007364910 506556064 /nfs/dbraw/zinc/55/60/64/506556064.db2.gz OVYLIIODSARJDL-UHFFFAOYSA-N 0 0 374.422 2.622 50 5 FFBARN Cc1cc(C)n(-c2nc(C)cc(NC[C@H](O)c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000007596881 506573200 /nfs/dbraw/zinc/57/32/00/506573200.db2.gz OVYNNACINRERGO-INIZCTEOSA-N 0 0 368.397 2.641 50 5 FFBARN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NCc1ccc(F)cc1 ZINC000008136660 506626042 /nfs/dbraw/zinc/62/60/42/506626042.db2.gz RGIJPYHJFJCVHF-UHFFFAOYSA-N 0 0 373.340 2.738 50 5 FFBARN Cc1nn(Cc2cc3c(cc2Br)OCO3)c(C)c1[N+](=O)[O-] ZINC000008428005 506648928 /nfs/dbraw/zinc/64/89/28/506648928.db2.gz UUVBQKLCVWMTBL-UHFFFAOYSA-N 0 0 354.160 2.948 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CCNC(=O)/C=C/c1ccccc1 ZINC000008986798 506676094 /nfs/dbraw/zinc/67/60/94/506676094.db2.gz WDDHEWDVHJGXEY-JXMROGBWSA-N 0 0 369.377 2.762 50 5 FFBARN O=C(Nn1cnc2ccccc21)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000009155704 506683262 /nfs/dbraw/zinc/68/32/62/506683262.db2.gz XIIHWRGLFOTSMR-UHFFFAOYSA-N 0 0 365.393 2.931 50 5 FFBARN CNc1ccc([N+](=O)[O-])cc1C(=O)NCC(=O)Nc1c(C)cc(C)cc1C ZINC000009155779 506684080 /nfs/dbraw/zinc/68/40/80/506684080.db2.gz JFTQVENYBXECHF-UHFFFAOYSA-N 0 0 370.409 2.930 50 5 FFBARN COCCNc1ccc(C(=O)Nc2nc(C)c(C)s2)cc1[N+](=O)[O-] ZINC000009368781 506694955 /nfs/dbraw/zinc/69/49/55/506694955.db2.gz JNLAMVYIAHQNDU-UHFFFAOYSA-N 0 0 350.400 2.979 50 5 FFBARN CCn1nnnc1SCc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000009726380 506710400 /nfs/dbraw/zinc/71/04/00/506710400.db2.gz ISLLXNPXWLQPHH-UHFFFAOYSA-N 0 0 361.330 2.504 50 5 FFBARN CC(=O)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000009872468 506716348 /nfs/dbraw/zinc/71/63/48/506716348.db2.gz KDQXGJOFPDSXPH-GFCCVEGCSA-N 0 0 356.334 2.981 50 5 FFBARN Cc1nn(CC(=O)N[C@@H]2CCSc3c(F)cccc32)c(C)c1[N+](=O)[O-] ZINC000012621690 506885924 /nfs/dbraw/zinc/88/59/24/506885924.db2.gz JOSGTTZBTWEDFX-CYBMUJFWSA-N 0 0 364.402 2.901 50 5 FFBARN O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000012684973 506889415 /nfs/dbraw/zinc/88/94/15/506889415.db2.gz OBDLYENFZCIBHH-UHFFFAOYSA-N 0 0 373.699 2.650 50 5 FFBARN Cc1ccc(C(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000012754109 506896457 /nfs/dbraw/zinc/89/64/57/506896457.db2.gz HXFBLJSCNRFMHI-GOSISDBHSA-N 0 0 369.421 2.707 50 5 FFBARN CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)c1ncccc1[N+](=O)[O-] ZINC000012914866 506912957 /nfs/dbraw/zinc/91/29/57/506912957.db2.gz LYZBGWFZRFCJIJ-UHFFFAOYSA-N 0 0 368.315 2.918 50 5 FFBARN CN(C)C1=N[C@@H]2Nc3ccccc3N(C)[C@@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000013894519 506957173 /nfs/dbraw/zinc/95/71/73/506957173.db2.gz PZFWIEROOQOKSF-KSZLIROESA-N 0 0 351.410 2.909 50 5 FFBARN O=C(CCC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000018077021 507135282 /nfs/dbraw/zinc/13/52/82/507135282.db2.gz AILUHYCGBUTUSQ-UHFFFAOYSA-N 0 0 367.405 2.907 50 5 FFBARN Cc1ccc([N+](=O)[O-])c(OCC(=O)Nc2ccc(N3CCOCC3)cc2)c1 ZINC000024542429 507418399 /nfs/dbraw/zinc/41/83/99/507418399.db2.gz BCKZHRLONMPWLR-UHFFFAOYSA-N 0 0 371.393 2.757 50 5 FFBARN COC(=O)c1cc([N+](=O)[O-])ccc1N1CCc2cc(OC)c(OC)cc2C1 ZINC000024754087 507435709 /nfs/dbraw/zinc/43/57/09/507435709.db2.gz GOGYCGGAKOBZMM-UHFFFAOYSA-N 0 0 372.377 2.961 50 5 FFBARN Cc1cc(C(=O)Nc2nc(-c3c[nH]c(C(N)=O)c3)cs2)ccc1[N+](=O)[O-] ZINC000024925492 507450079 /nfs/dbraw/zinc/45/00/79/507450079.db2.gz AUOHOJQUZWSPNG-UHFFFAOYSA-N 0 0 371.378 2.706 50 5 FFBARN O=C(c1ccc([N+](=O)[O-])o1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000024940794 507450779 /nfs/dbraw/zinc/45/07/79/507450779.db2.gz FONPGJWDOOKMCX-UHFFFAOYSA-N 0 0 370.287 2.564 50 5 FFBARN COCCN(Cc1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000027974407 507698937 /nfs/dbraw/zinc/69/89/37/507698937.db2.gz SESSNRZYYPEBRV-UHFFFAOYSA-N 0 0 364.423 2.741 50 5 FFBARN CS(=O)(=O)c1ccc(N[C@H]2CCCC[C@@H]2n2cccn2)c([N+](=O)[O-])c1 ZINC000072307296 507773975 /nfs/dbraw/zinc/77/39/75/507773975.db2.gz MSARCKFXDSCXHQ-ZFWWWQNUSA-N 0 0 364.427 2.791 50 5 FFBARN COC(=O)[C@H](C)[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000072310572 507774953 /nfs/dbraw/zinc/77/49/53/507774953.db2.gz HVJBRRRDWRNNBG-ACJLOTCBSA-N 0 0 372.377 2.640 50 5 FFBARN Cc1nn(CN2CCO[C@@H](c3ccc(F)cc3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000072312378 507775202 /nfs/dbraw/zinc/77/52/02/507775202.db2.gz CGRBSCZKGPCJQX-QGZVFWFLSA-N 0 0 371.372 2.818 50 5 FFBARN COC(=O)[C@H]1CCC[C@H]1NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000079066071 507930022 /nfs/dbraw/zinc/93/00/22/507930022.db2.gz HAFUARRUPOPNEI-VHSXEESVSA-N 0 0 373.312 2.659 50 5 FFBARN CC(C)(C)OC(=O)N1CCCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000075572691 508118647 /nfs/dbraw/zinc/11/86/47/508118647.db2.gz QXPXWKJEXBMIDR-UHFFFAOYSA-N 0 0 365.430 2.916 50 5 FFBARN C[C@@H](Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000095468377 508187791 /nfs/dbraw/zinc/18/77/91/508187791.db2.gz BVGFCNDLPJIODT-ZJUUUORDSA-N 0 0 364.370 2.818 50 5 FFBARN CCOC(=O)CC[C@H]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000095973231 508199759 /nfs/dbraw/zinc/19/97/59/508199759.db2.gz BHZCRWPGRJCGJZ-GFCCVEGCSA-N 0 0 374.397 2.667 50 5 FFBARN O=c1[nH]c(=O)c2c([nH]1)OC(c1ccccc1)=C[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000226761551 509403707 /nfs/dbraw/zinc/40/37/07/509403707.db2.gz WVLRBYLKNTXSLT-CQSZACIVSA-N 0 0 363.329 2.537 50 5 FFBARN CN(CCc1nccs1)C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000241588003 509843633 /nfs/dbraw/zinc/84/36/33/509843633.db2.gz OYWAOXDVBWXNRH-UHFFFAOYSA-N 0 0 371.216 2.524 50 5 FFBARN COc1ccc(-c2cn(CC(=O)c3cccc([N+](=O)[O-])c3)c(=N)n2C)cc1 ZINC000334157583 523141983 /nfs/dbraw/zinc/14/19/83/523141983.db2.gz OWYCANQIEIMTDP-UHFFFAOYSA-N 0 0 366.377 2.773 50 5 FFBARN Cc1cccc(NC(=O)CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c1C ZINC000097674682 959561091 /nfs/dbraw/zinc/56/10/91/959561091.db2.gz MLDVVCHMSWBXBU-FLIBITNWSA-N 0 0 353.378 2.980 50 5 FFBARN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCc1ccccc1Cl ZINC000000714713 210264807 /nfs/dbraw/zinc/26/48/07/210264807.db2.gz QWOQIHMNPSLUJD-UHFFFAOYSA-N 0 0 374.736 2.588 50 5 FFBARN Cc1cc(C)n(Cc2ccc(NC(=O)c3c([N+](=O)[O-])c(C)nn3C)cc2)n1 ZINC000000653469 210258101 /nfs/dbraw/zinc/25/81/01/210258101.db2.gz IQONDRRSCZJQFY-UHFFFAOYSA-N 0 0 368.397 2.751 50 5 FFBARN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C12CC3CC(CC(C3)C1)C2 ZINC000004433818 219574922 /nfs/dbraw/zinc/57/49/22/219574922.db2.gz BRIVYPPDFQPRDW-UHFFFAOYSA-N 0 0 368.389 2.976 50 5 FFBARN O=C(COC(=O)c1ccc([N+](=O)[O-])o1)Nc1ccccc1OC(F)F ZINC000005505922 219685916 /nfs/dbraw/zinc/68/59/16/219685916.db2.gz XUNYZMICTBNVQM-UHFFFAOYSA-N 0 0 356.237 2.585 50 5 FFBARN O=[N+]([O-])c1cccnc1NCC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000058357442 212006481 /nfs/dbraw/zinc/00/64/81/212006481.db2.gz AVZWGUXLOSTBPH-UHFFFAOYSA-N 0 0 357.366 2.879 50 5 FFBARN C[C@@H](NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1nncn1C ZINC000032933547 211576141 /nfs/dbraw/zinc/57/61/41/211576141.db2.gz AWESZJPDHWPJCV-GFCCVEGCSA-N 0 0 366.381 2.958 50 5 FFBARN Cc1nc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)nn1-c1ccc(F)cc1 ZINC000032883635 211569946 /nfs/dbraw/zinc/56/99/46/211569946.db2.gz PBRHRBRBBQGPKT-UHFFFAOYSA-N 0 0 367.340 2.826 50 5 FFBARN O=C(c1ccccc1[N+](=O)[O-])N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000024141746 211403071 /nfs/dbraw/zinc/40/30/71/211403071.db2.gz SPVGGUMGMGEVAU-UHFFFAOYSA-N 0 0 359.426 2.850 50 5 FFBARN N=C1NC(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)o2)S1 ZINC000023128327 211378268 /nfs/dbraw/zinc/37/82/68/211378268.db2.gz QBMPYODSXJTLAD-SDQBBNPISA-N 0 0 360.307 2.902 50 5 FFBARN CC(=O)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccccc1[N+](=O)[O-] ZINC000022414482 211350115 /nfs/dbraw/zinc/35/01/15/211350115.db2.gz VEMSFNOEZYETHS-GFCCVEGCSA-N 0 0 356.334 2.981 50 5 FFBARN COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccccc3[N+](=O)[O-])O2)c(OC)c1 ZINC000021092054 211306167 /nfs/dbraw/zinc/30/61/67/211306167.db2.gz XEANMPLZOUVGIP-GOSISDBHSA-N 0 0 371.349 2.851 50 5 FFBARN COc1cccc(-c2n[nH]c3c2[C@H](c2cccc([N+](=O)[O-])c2)NC3=O)c1 ZINC000020213025 211273468 /nfs/dbraw/zinc/27/34/68/211273468.db2.gz GNEYXNXFMRWMTJ-HNNXBMFYSA-N 0 0 350.334 2.826 50 5 FFBARN CC[C@H]1c2ccsc2CCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000016778376 211168112 /nfs/dbraw/zinc/16/81/12/211168112.db2.gz XYSFQFUFBWYIJA-HNNXBMFYSA-N 0 0 373.434 2.922 50 5 FFBARN CC(=O)c1ccc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1 ZINC000015934734 211151034 /nfs/dbraw/zinc/15/10/34/211151034.db2.gz ARFZSWSLCQJSPT-UHFFFAOYSA-N 0 0 351.322 2.630 50 5 FFBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000014239577 211086841 /nfs/dbraw/zinc/08/68/41/211086841.db2.gz HWCXDEVVJCXHBI-MRXNPFEDSA-N 0 0 367.405 2.933 50 5 FFBARN COc1ccccc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(C)=O ZINC000014019565 211069557 /nfs/dbraw/zinc/06/95/57/211069557.db2.gz DRHMNFAQZKWPQI-WJDWOHSUSA-N 0 0 355.350 2.719 50 5 FFBARN O=c1[nH]c2ccccc2nc1/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000008216320 210775053 /nfs/dbraw/zinc/77/50/53/210775053.db2.gz CULCUUBQPMUEKI-AATRIKPKSA-N 0 0 351.318 2.868 50 5 FFBARN CC[C@@H](C)Nc1nc(N)c([N+](=O)[O-])c(Nc2cc(OC)ccc2OC)n1 ZINC000005516403 210625185 /nfs/dbraw/zinc/62/51/85/210625185.db2.gz PRNSIJYOJBHTBQ-SECBINFHSA-N 0 0 362.390 2.938 50 5 FFBARN O=C(Nc1ccc2nc3n(c(=O)c2c1)CCCCC3)c1ccc([N+](=O)[O-])o1 ZINC000005140163 210601798 /nfs/dbraw/zinc/60/17/98/210601798.db2.gz SKCUUQKKDLCTAT-UHFFFAOYSA-N 0 0 368.349 2.876 50 5 FFBARN CSc1cccc(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1 ZINC000003299024 210464466 /nfs/dbraw/zinc/46/44/66/210464466.db2.gz GLUWOEQVPSSFGK-UHFFFAOYSA-N 0 0 371.374 2.551 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1C1=N/C(=C/c2ccccc2[N+](=O)[O-])C(=O)O1 ZINC000002941870 210438639 /nfs/dbraw/zinc/43/86/39/210438639.db2.gz SVASWLLHYOUGLU-MDWZMJQESA-N 0 0 369.289 2.856 50 5 FFBARN Cc1ccc(C(=O)CSc2nnnn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000002643534 210410635 /nfs/dbraw/zinc/41/06/35/210410635.db2.gz BYWYMUBWGGGGOE-UHFFFAOYSA-N 0 0 355.379 2.854 50 5 FFBARN CC(=O)Nc1ccc(NC(=O)c2c([N+](=O)[O-])c(C(C)(C)C)nn2C)cc1 ZINC000002291385 210388218 /nfs/dbraw/zinc/38/82/18/210388218.db2.gz DIQCCSDLDCZJLJ-UHFFFAOYSA-N 0 0 359.386 2.837 50 5 FFBARN COc1ccccc1C(=O)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000019789908 220297315 /nfs/dbraw/zinc/29/73/15/220297315.db2.gz AXRVKIGBKOINMK-UHFFFAOYSA-N 0 0 355.394 2.561 50 5 FFBARN COC(=O)c1ccc(Cn2cc(C(F)(F)F)cc([N+](=O)[O-])c2=O)cc1 ZINC000001400103 210349964 /nfs/dbraw/zinc/34/99/64/210349964.db2.gz VQXUQVFAAXKZLR-UHFFFAOYSA-N 0 0 356.256 2.610 50 5 FFBARN Cc1cc(C(=O)Nc2cccc(-c3ccc(=O)n(C)n3)c2)ccc1[N+](=O)[O-] ZINC000010325099 210355008 /nfs/dbraw/zinc/35/50/08/210355008.db2.gz XIDJNSKAGJLWMU-UHFFFAOYSA-N 0 0 364.361 2.916 50 5 FFBARN CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000001232837 210337949 /nfs/dbraw/zinc/33/79/49/210337949.db2.gz MOTQRVGPHVHLKA-QGZVFWFLSA-N 0 0 367.361 2.923 50 5 FFBARN O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000010218969 210345197 /nfs/dbraw/zinc/34/51/97/210345197.db2.gz ACWNNYISXZZFNF-UHFFFAOYSA-N 0 0 366.370 2.927 50 5 FFBARN CN1c2ccc(Cl)cc2[C@@](O)(CC(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000001068084 210311072 /nfs/dbraw/zinc/31/10/72/210311072.db2.gz JHFISHRHNDISFW-KRWDZBQOSA-N 0 0 360.753 2.685 50 5 FFBARN Cc1cc(C(=O)N(Cc2ccc(C(N)=O)cc2)C2CC2)ccc1[N+](=O)[O-] ZINC000029263494 220599658 /nfs/dbraw/zinc/59/96/58/220599658.db2.gz SGFMANZQEAMJJK-UHFFFAOYSA-N 0 0 353.378 2.807 50 5 FFBARN CC(=O)c1ccc(N2CCCN(C(=O)c3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000057140624 221083937 /nfs/dbraw/zinc/08/39/37/221083937.db2.gz RDEUANAJRRXZRY-UHFFFAOYSA-N 0 0 368.393 2.545 50 5 FFBARN COC(=O)[C@@H](C)[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000072310571 221463289 /nfs/dbraw/zinc/46/32/89/221463289.db2.gz HVJBRRRDWRNNBG-UGSOOPFHSA-N 0 0 372.377 2.640 50 5 FFBARN O=C1OCC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)CC(=O)N2c1ccccc1 ZINC000001427637 132381949 /nfs/dbraw/zinc/38/19/49/132381949.db2.gz QVDLNTUYXVITKV-OAHLLOKOSA-N 0 0 350.330 2.926 50 5 FFBARN Cc1ccc2c(c1)CCCN2CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000004116429 132386431 /nfs/dbraw/zinc/38/64/31/132386431.db2.gz RLSUPCOCBRGASP-UHFFFAOYSA-N 0 0 351.362 2.910 50 5 FFBARN CN(C)C1=N[C@@H]2Nc3ccccc3N(C)[C@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000004663455 132387089 /nfs/dbraw/zinc/38/70/89/132387089.db2.gz PZFWIEROOQOKSF-BZSNNMDCSA-N 0 0 351.410 2.909 50 5 FFBARN Cc1ccc([N+](=O)[O-])cc1NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000009322141 132845097 /nfs/dbraw/zinc/84/50/97/132845097.db2.gz OQNBWELVEJFKDO-UHFFFAOYSA-N 0 0 354.410 2.664 50 5 FFBARN O=C(c1ccco1)N1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000012557957 132860795 /nfs/dbraw/zinc/86/07/95/132860795.db2.gz HKWUNVYRKKZQEC-UHFFFAOYSA-N 0 0 352.350 2.698 50 5 FFBARN O=C(Nc1ccc2c(c1)OCO2)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000054373589 136125502 /nfs/dbraw/zinc/12/55/02/136125502.db2.gz AOUDPFVDTBOHDB-UHFFFAOYSA-N 0 0 370.365 2.678 50 5 FFBARN COc1ccc(OC)c2c1s/c(=N\C(=O)c1ccc([N+](=O)[O-])cc1)n2C ZINC000100908617 222256359 /nfs/dbraw/zinc/25/63/59/222256359.db2.gz KMNJZZFPKJFCGJ-ZCXUNETKSA-N 0 0 373.390 2.906 50 5 FFBARN Cc1cc([N+](=O)[O-])nn1C[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000002792438 506293327 /nfs/dbraw/zinc/29/33/27/506293327.db2.gz PEPNUZKIIGGHNL-NSHDSACASA-N 0 0 370.365 2.789 50 5 FFBARN Cc1sc2ncn3nc([C@@H](C)Cn4cc([N+](=O)[O-])cn4)nc3c2c1C ZINC000002808437 506294907 /nfs/dbraw/zinc/29/49/07/506294907.db2.gz DBXHBSYTVCHDTC-QMMMGPOBSA-N 0 0 357.399 2.864 50 5 FFBARN O=C([O-])[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCC1=CCCCC1 ZINC000002852847 506298196 /nfs/dbraw/zinc/29/81/96/506298196.db2.gz QXGYVMCWQXLZCL-MRXNPFEDSA-N 0 0 361.398 2.857 50 5 FFBARN Cc1sc(NC(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2)c(C(N)=O)c1C ZINC000002872827 506299973 /nfs/dbraw/zinc/29/99/73/506299973.db2.gz RTTQPRFCXLPWPB-VIFPVBQESA-N 0 0 363.395 2.778 50 5 FFBARN C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000003217722 506312975 /nfs/dbraw/zinc/31/29/75/506312975.db2.gz CSUXYACMXJPLPJ-CYBMUJFWSA-N 0 0 354.362 2.658 50 5 FFBARN CN(C)c1ccc(C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000003896959 506352142 /nfs/dbraw/zinc/35/21/42/506352142.db2.gz ZVDVILJUONZMJX-UHFFFAOYSA-N 0 0 358.354 2.866 50 5 FFBARN O=C1CN=C(c2cc([N+](=O)[O-])ccc2Cl)c2cc([N+](=O)[O-])ccc2N1 ZINC000004006279 506355545 /nfs/dbraw/zinc/35/55/45/506355545.db2.gz RUBWZOGBNBSYPE-UHFFFAOYSA-N 0 0 360.713 2.946 50 5 FFBARN COc1cc2c(cc1OC)[C@H](c1ccccc1[N+](=O)[O-])C1=C(COC1=O)N2 ZINC000004052202 506356541 /nfs/dbraw/zinc/35/65/41/506356541.db2.gz YDHPPZOOSRLYLB-KRWDZBQOSA-N 0 0 368.345 2.980 50 5 FFBARN CC(C)OC[C@H]1C[C@@H](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C(=O)O1 ZINC000004132672 506360164 /nfs/dbraw/zinc/36/01/64/506360164.db2.gz YBAGMGBNHBRAAY-IUODEOHRSA-N 0 0 350.371 2.670 50 5 FFBARN O=C(CSc1nnnn1C1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000004581376 506382753 /nfs/dbraw/zinc/38/27/53/506382753.db2.gz KTHSDSVHULHESF-UHFFFAOYSA-N 0 0 362.415 2.817 50 5 FFBARN O=C(NC1CCCC1)[C@H](c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCCC1 ZINC000036067085 506394283 /nfs/dbraw/zinc/39/42/83/506394283.db2.gz LFAVGASHZDCQGC-KRWDZBQOSA-N 0 0 361.398 2.519 50 5 FFBARN COC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccc(OC)cc1 ZINC000004903213 506403763 /nfs/dbraw/zinc/40/37/63/506403763.db2.gz FUXNGMKZXYBNPL-WJDWOHSUSA-N 0 0 356.334 2.547 50 5 FFBARN COc1ccc2cc3c(N)nn(C(=O)c4cccc([N+](=O)[O-])c4)c3nc2c1 ZINC000004939926 506408059 /nfs/dbraw/zinc/40/80/59/506408059.db2.gz FFXGMMIVOJYTIM-UHFFFAOYSA-N 0 0 363.333 2.772 50 5 FFBARN O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000005061033 506418694 /nfs/dbraw/zinc/41/86/94/506418694.db2.gz MHWRZVHRHIAXTA-UHFFFAOYSA-N 0 0 353.334 2.610 50 5 FFBARN Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C)cc1 ZINC000037275866 506423344 /nfs/dbraw/zinc/42/33/44/506423344.db2.gz IKQUFFXPOUOJQI-CQSZACIVSA-N 0 0 353.378 2.781 50 5 FFBARN COc1cc(OC)c(OC)cc1CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000005246198 506432445 /nfs/dbraw/zinc/43/24/45/506432445.db2.gz DTRFTQSOTOYKTI-UHFFFAOYSA-N 0 0 360.366 2.859 50 5 FFBARN C[C@H]1C[C@@H]1C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000005262009 506432530 /nfs/dbraw/zinc/43/25/30/506432530.db2.gz IFQUJLWLDGVOAR-JQWIXIFHSA-N 0 0 357.332 2.918 50 5 FFBARN O=C(COC(=O)c1ccccc1O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000005754025 506456386 /nfs/dbraw/zinc/45/63/86/506456386.db2.gz POKGGTBJOHEQIS-UHFFFAOYSA-N 0 0 350.714 2.749 50 5 FFBARN CC(C)(C)OC(=O)N1CCC(C(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000053867062 506457219 /nfs/dbraw/zinc/45/72/19/506457219.db2.gz VRMDDAABGHKHNE-UHFFFAOYSA-N 0 0 363.414 2.858 50 5 FFBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000040073853 506463041 /nfs/dbraw/zinc/46/30/41/506463041.db2.gz OFTDOLLULFXALW-PWSUYJOCSA-N 0 0 373.331 2.525 50 5 FFBARN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc(N2CCCC2=O)cc1 ZINC000040074145 506463062 /nfs/dbraw/zinc/46/30/62/506463062.db2.gz VFXBLGVTBSBQLN-UHFFFAOYSA-N 0 0 353.378 2.994 50 5 FFBARN Cc1nc(C)c(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)s1 ZINC000006367413 506478747 /nfs/dbraw/zinc/47/87/47/506478747.db2.gz FNBWBSQZLOSYAM-UHFFFAOYSA-N 0 0 353.331 2.603 50 5 FFBARN Cc1ccccc1-c1nc2s/c(=C/c3ccccc3[N+](=O)[O-])c(=O)n2n1 ZINC000006479620 506484836 /nfs/dbraw/zinc/48/48/36/506484836.db2.gz VJTJVIUWMNXCRK-XNTDXEJSSA-N 0 0 364.386 2.582 50 5 FFBARN NS(=O)(=O)c1ccc(CCNc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000006560336 506489257 /nfs/dbraw/zinc/48/92/57/506489257.db2.gz ZJSSLUQVYPGWPT-UHFFFAOYSA-N 0 0 355.803 2.550 50 5 FFBARN COc1cccc(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000006586985 506489308 /nfs/dbraw/zinc/48/93/08/506489308.db2.gz FNSGJYWLRRUWEB-LLVKDONJSA-N 0 0 374.349 2.796 50 5 FFBARN O=C(N=c1[nH]c2ccccc2[nH]1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000006971241 506522159 /nfs/dbraw/zinc/52/21/59/506522159.db2.gz XLKURYJTCZMIBE-UHFFFAOYSA-N 0 0 351.366 2.746 50 5 FFBARN CCc1ccc(OCC(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000007975634 506608391 /nfs/dbraw/zinc/60/83/91/506608391.db2.gz UOPIMAUYMXNRNZ-UHFFFAOYSA-N 0 0 358.350 2.718 50 5 FFBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N1CCCC1 ZINC000008055532 506617935 /nfs/dbraw/zinc/61/79/35/506617935.db2.gz ROBWSXGOAOMNJH-UHFFFAOYSA-N 0 0 353.444 2.760 50 5 FFBARN CNS(=O)(=O)c1ccc(N(C)[C@H]2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000042619966 506642060 /nfs/dbraw/zinc/64/20/60/506642060.db2.gz QMSYZEJNNJEYSO-HNNXBMFYSA-N 0 0 361.423 2.627 50 5 FFBARN Cc1nn(CC(=O)NCCc2ccc(C(F)(F)F)cc2)c(C)c1[N+](=O)[O-] ZINC000009114105 506683890 /nfs/dbraw/zinc/68/38/90/506683890.db2.gz MYBDOEXGCACKKJ-UHFFFAOYSA-N 0 0 370.331 2.786 50 5 FFBARN O=C1c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-] ZINC000043439551 506743516 /nfs/dbraw/zinc/74/35/16/506743516.db2.gz JOERSAVCLPYNIZ-UHFFFAOYSA-N 0 0 360.194 2.531 50 5 FFBARN Cn1c2cc3c(cc2s/c1=N/C(=O)c1ccc([N+](=O)[O-])cc1)OCO3 ZINC000012080581 506813893 /nfs/dbraw/zinc/81/38/93/506813893.db2.gz BVYNBMCOSMNBMQ-WUKNDPDISA-N 0 0 357.347 2.618 50 5 FFBARN O=C(CSc1nc2cc(Cl)ccc2s1)Nc1nonc1[N+](=O)[O-] ZINC000012375121 506856282 /nfs/dbraw/zinc/85/62/82/506856282.db2.gz OEXFFTALKYAMRG-UHFFFAOYSA-N 0 0 371.787 2.972 50 5 FFBARN C[C@@H]1CN(C(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)C[C@H](C)O1 ZINC000012588366 506882782 /nfs/dbraw/zinc/88/27/82/506882782.db2.gz JDSHPJUFWJGPDF-AOOOYVTPSA-N 0 0 367.452 2.932 50 5 FFBARN O=[N+]([O-])c1ccc(-c2ncn(C[C@H](O)COc3ccc(Cl)cc3)n2)cc1 ZINC000046060820 507070601 /nfs/dbraw/zinc/07/06/01/507070601.db2.gz XCPIKHAKBZVUPW-HNNXBMFYSA-N 0 0 374.784 2.947 50 5 FFBARN O=C(c1noc2c1CCCCC2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000020458074 507221835 /nfs/dbraw/zinc/22/18/35/507221835.db2.gz JIDQYDRCDMRWGJ-UHFFFAOYSA-N 0 0 370.409 2.814 50 5 FFBARN COC(=O)c1cc([N+](=O)[O-])ccc1NC1CCN(C(=O)c2ccoc2)CC1 ZINC000024207261 507398212 /nfs/dbraw/zinc/39/82/12/507398212.db2.gz MPNDWAXGSBZPIS-UHFFFAOYSA-N 0 0 373.365 2.691 50 5 FFBARN COc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)ccn1 ZINC000024438882 507412107 /nfs/dbraw/zinc/41/21/07/507412107.db2.gz SUIAEJITSDGKKA-UHFFFAOYSA-N 0 0 356.382 2.529 50 5 FFBARN CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000048310741 507499918 /nfs/dbraw/zinc/49/99/18/507499918.db2.gz BOZVPGSQZLKCGB-GFCCVEGCSA-N 0 0 370.409 2.757 50 5 FFBARN O=C(NCCN1CCN(c2ccccc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000027352884 507649055 /nfs/dbraw/zinc/64/90/55/507649055.db2.gz WQVWRDVTEDFIKW-UHFFFAOYSA-N 0 0 369.425 2.539 50 5 FFBARN CS(=O)(=O)c1ccc(N[C@H]2CCCC[C@H]2n2cccn2)c([N+](=O)[O-])c1 ZINC000072307298 507773983 /nfs/dbraw/zinc/77/39/83/507773983.db2.gz MSARCKFXDSCXHQ-DZGCQCFKSA-N 0 0 364.427 2.791 50 5 FFBARN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(Br)c(C)c1 ZINC000072332121 507777475 /nfs/dbraw/zinc/77/74/75/507777475.db2.gz ZMSQUDJAVONSEY-UHFFFAOYSA-N 0 0 353.176 2.809 50 5 FFBARN Cc1nccn1-c1ccc([C@@H](C)Nc2ncc([N+](=O)[O-])cc2C(N)=O)cc1 ZINC000075106774 508083079 /nfs/dbraw/zinc/08/30/79/508083079.db2.gz UNQMMXLYDVRILT-LLVKDONJSA-N 0 0 366.381 2.756 50 5 FFBARN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000084351127 508274993 /nfs/dbraw/zinc/27/49/93/508274993.db2.gz ICVYXCARHZLITJ-MNOVXSKESA-N 0 0 352.696 2.776 50 5 FFBARN CCN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000229581105 509427058 /nfs/dbraw/zinc/42/70/58/509427058.db2.gz PQITVPCOANDADM-ZIAGYGMSSA-N 0 0 355.460 2.639 50 5 FFBARN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1NC(=O)OC(C)(C)C ZINC000170614767 509681124 /nfs/dbraw/zinc/68/11/24/509681124.db2.gz GYHCJHVMWUHBGW-NXEZZACHSA-N 0 0 355.416 2.642 50 5 FFBARN CCCN(C[C@H]1CCCCO1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000170622702 509683372 /nfs/dbraw/zinc/68/33/72/509683372.db2.gz XRYHNSRIHUJKSL-OAHLLOKOSA-N 0 0 356.444 2.873 50 5 FFBARN CCCN(C[C@H]1CCCCO1)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000170622599 509683780 /nfs/dbraw/zinc/68/37/80/509683780.db2.gz JMCHSPDNPGUQQM-OAHLLOKOSA-N 0 0 373.413 2.597 50 5 FFBARN Cc1cccc(OCC(=O)N2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000019841673 524714396 /nfs/dbraw/zinc/71/43/96/524714396.db2.gz NJTFPTJRPPYYRZ-UHFFFAOYSA-N 0 0 369.421 2.626 50 5 FFBARN CCOC(=O)Cc1csc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)n1 ZINC000009108592 571132395 /nfs/dbraw/zinc/13/23/95/571132395.db2.gz CWQXJBVFJGEMMP-VOTSOKGWSA-N 0 0 361.379 2.809 50 5 FFBARN CCOC(=O)/C(Sc1ccccc1[N+](=O)[O-])=C(/C)N1CCOCC1 ZINC000005505710 727781336 /nfs/dbraw/zinc/78/13/36/727781336.db2.gz MNYCSLVEKNMBBY-NTCAYCPXSA-N 0 0 352.412 2.814 50 5 FFBARN O=C(/C=C\c1ccco1)OCC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000033497410 990359981 /nfs/dbraw/zinc/35/99/81/990359981.db2.gz PGENCDOCGQKBTC-XQRVVYSFSA-N 0 0 373.346 2.993 50 5 FFBARN COc1ccccc1CNC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000000669079 210259875 /nfs/dbraw/zinc/25/98/75/210259875.db2.gz HUHKRQGPONYJGP-UHFFFAOYSA-N 0 0 366.377 2.778 50 5 FFBARN Cc1ccc2c(c1)nc1c3ccc4c(=O)[nH]c(=O)c5ccc(c(=O)n21)c3c45 ZINC000000629084 210252820 /nfs/dbraw/zinc/25/28/20/210252820.db2.gz UTKNJTHGYOGYSD-UHFFFAOYSA-N 0 0 353.337 2.540 50 5 FFBARN C[C@H](Cn1cc(Br)cn1)C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000002794300 210078120 /nfs/dbraw/zinc/07/81/20/210078120.db2.gz HULNVIFMCCNGPD-MRVPVSSYSA-N 0 0 371.166 2.968 50 5 FFBARN NC(=O)Cn1c2ccc(Br)cc2c2nc3ccccc3nc21 ZINC000001409212 210075355 /nfs/dbraw/zinc/07/53/55/210075355.db2.gz GPHKZCYWCVJIKE-UHFFFAOYSA-N 0 0 355.195 2.986 50 5 FFBARN O=C(OCc1ccc([N+](=O)[O-])cc1)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000007985493 219838133 /nfs/dbraw/zinc/83/81/33/219838133.db2.gz KKXRQLPQMWKDJK-KRWDZBQOSA-N 0 0 368.389 2.729 50 5 FFBARN O=C(NCCCCn1ccnc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000058202133 211994455 /nfs/dbraw/zinc/99/44/55/211994455.db2.gz MIGDMJDSKUWOMA-UHFFFAOYSA-N 0 0 357.414 2.602 50 5 FFBARN O=c1c2nnc(-c3ccc([N+](=O)[O-])cc3)n2ccn1-c1ccc(F)c(F)c1 ZINC000017169435 220209757 /nfs/dbraw/zinc/20/97/57/220209757.db2.gz MIRASXQZNGNASA-UHFFFAOYSA-N 0 0 369.287 2.734 50 5 FFBARN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc2c(c1)OCCO2 ZINC000023789593 211396936 /nfs/dbraw/zinc/39/69/36/211396936.db2.gz ZYEGTNAAOKSKDT-UHFFFAOYSA-N 0 0 371.393 2.704 50 5 FFBARN CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)O[C@H]1COc1ccc(C)cc1 ZINC000021092371 211306507 /nfs/dbraw/zinc/30/65/07/211306507.db2.gz BGBRONAMAWNKHG-KRWDZBQOSA-N 0 0 355.350 2.849 50 5 FFBARN Cc1cc(C(=O)Nc2ccc(CN3CCOCC3)cc2)ccc1[N+](=O)[O-] ZINC000019683127 211245957 /nfs/dbraw/zinc/24/59/57/211245957.db2.gz UXWWZIBEALPRCP-UHFFFAOYSA-N 0 0 355.394 2.988 50 5 FFBARN O=C(CCn1cnc2sccc2c1=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000014266713 211090017 /nfs/dbraw/zinc/09/00/17/211090017.db2.gz JVYGEKIHPPNWFH-UHFFFAOYSA-N 0 0 362.342 2.534 50 5 FFBARN Cc1c(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)cccc1[N+](=O)[O-] ZINC000012994919 211016978 /nfs/dbraw/zinc/01/69/78/211016978.db2.gz VRFZDBDZSJLARR-UHFFFAOYSA-N 0 0 367.361 2.805 50 5 FFBARN Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)[nH]2)cc1[N+](=O)[O-] ZINC000011535519 210885983 /nfs/dbraw/zinc/88/59/83/210885983.db2.gz WRRIKMRCMWZIGX-UHFFFAOYSA-N 0 0 370.390 2.871 50 5 FFBARN COc1ccc(NC(C)=O)cc1NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000007549591 210744262 /nfs/dbraw/zinc/74/42/62/210744262.db2.gz BLKOLOMRZLIXTJ-UHFFFAOYSA-N 0 0 373.365 2.888 50 5 FFBARN O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCC(=O)c1ccc[nH]1 ZINC000005688238 210634515 /nfs/dbraw/zinc/63/45/15/210634515.db2.gz LMZYYUYGLJVMCV-UHFFFAOYSA-N 0 0 371.271 2.780 50 5 FFBARN Cc1cc(OC(=O)c2ccc([N+](=O)[O-])cc2)ccc1N1C(=O)CCC1=O ZINC000005063684 210596645 /nfs/dbraw/zinc/59/66/45/210596645.db2.gz AFXVLFUOLYJPSB-UHFFFAOYSA-N 0 0 354.318 2.776 50 5 FFBARN C[C@H]1C[C@H](C)CN(C(=O)COC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000003499598 210484195 /nfs/dbraw/zinc/48/41/95/210484195.db2.gz CFHIAQAMZOBSFA-QWRGUYRKSA-N 0 0 354.790 2.910 50 5 FFBARN O=C(CNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccc(C(F)(F)F)c1 ZINC000002871495 210433984 /nfs/dbraw/zinc/43/39/84/210433984.db2.gz USACMETWBLKACZ-UHFFFAOYSA-N 0 0 367.283 2.982 50 5 FFBARN COc1cc([C@@H]2NC(=O)CC[C@@H]2[N+](=O)[O-])ccc1OCc1ccccc1 ZINC000002503850 210403195 /nfs/dbraw/zinc/40/31/95/210403195.db2.gz ZCSAVJRPGZHZHC-KXBFYZLASA-N 0 0 356.378 2.871 50 5 FFBARN COc1cc(OC)cc(C(=O)NC(=S)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000001179960 210330607 /nfs/dbraw/zinc/33/06/07/210330607.db2.gz GMOJTNLFDPNWPZ-UHFFFAOYSA-N 0 0 361.379 2.739 50 5 FFBARN COc1ccc(/C=C2/N=C(c3cccc([N+](=O)[O-])c3)OC2=O)c(OC)c1 ZINC000001091032 210316806 /nfs/dbraw/zinc/31/68/06/210316806.db2.gz WIFNLBHEKDZGCJ-OQLLNIDSSA-N 0 0 354.318 2.957 50 5 FFBARN COc1cc(/C=C/[N+](=O)[O-])ccc1OC(=O)[C@@H]1COc2ccccc2O1 ZINC000000943472 210292163 /nfs/dbraw/zinc/29/21/63/210292163.db2.gz WPWDBNBDESFBDS-IJDCCNJMSA-N 0 0 357.318 2.688 50 5 FFBARN Cn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1ccncc1 ZINC000000897168 210288879 /nfs/dbraw/zinc/28/88/79/210288879.db2.gz QYOZLVVKGFWVMB-UHFFFAOYSA-N 0 0 370.394 2.516 50 5 FFBARN COc1cc(CN2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cc(OC)c1 ZINC000000865176 210282264 /nfs/dbraw/zinc/28/22/64/210282264.db2.gz OUNPRFGKKREEDF-UHFFFAOYSA-N 0 0 371.437 2.930 50 5 FFBARN COC(=O)c1ccc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1 ZINC000000822633 210275656 /nfs/dbraw/zinc/27/56/56/210275656.db2.gz LWCWMGPPLZYHPT-GDNBJRDFSA-N 0 0 352.302 2.726 50 5 FFBARN Cc1cc(NC(=O)c2cccc(C)c2[N+](=O)[O-])ccc1NS(C)(=O)=O ZINC000031112223 220632180 /nfs/dbraw/zinc/63/21/80/220632180.db2.gz UELIQWWBEZBABO-UHFFFAOYSA-N 0 0 363.395 2.835 50 5 FFBARN CCN(CC)S(=O)(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000008149563 132259631 /nfs/dbraw/zinc/25/96/31/132259631.db2.gz VUCOHANFTLNFLQ-UHFFFAOYSA-N 0 0 355.460 2.862 50 5 FFBARN O=C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCN(c2ccc(F)cc2)CC1 ZINC000002806698 132384002 /nfs/dbraw/zinc/38/40/02/132384002.db2.gz OOXDYYTXNJEAGS-UHFFFAOYSA-N 0 0 374.328 2.605 50 5 FFBARN CC[C@@H]1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000029524453 132920635 /nfs/dbraw/zinc/92/06/35/132920635.db2.gz NLJREYZGDKFHRI-SECBINFHSA-N 0 0 368.333 2.504 50 5 FFBARN CN(C)c1nccc(CN(C)c2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000095460571 221910894 /nfs/dbraw/zinc/91/08/94/221910894.db2.gz MOQUNENCSQMKAU-UHFFFAOYSA-N 0 0 366.219 2.850 50 5 FFBARN Cc1cccc(-c2noc(CCNC(=O)c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000096293207 222112163 /nfs/dbraw/zinc/11/21/63/222112163.db2.gz WTAKOPWHPIZGNP-UHFFFAOYSA-N 0 0 352.350 2.926 50 5 FFBARN O=C(/C=C\c1cc([N+](=O)[O-])cc2c1OCOC2)NCCc1ccccc1 ZINC000096911600 222139009 /nfs/dbraw/zinc/13/90/09/222139009.db2.gz GFBXHAPCJUYVLV-SREVYHEPSA-N 0 0 354.362 2.833 50 5 FFBARN COc1cccc(C2=Nc3nnnn3[C@@H](c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000101034429 222260246 /nfs/dbraw/zinc/26/02/46/222260246.db2.gz ZPEKGOTWIKTCFG-MRXNPFEDSA-N 0 0 350.338 2.646 50 5 FFBARN O=C(NCC1N=NC(=S)N1c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000004059218 263331024 /nfs/dbraw/zinc/33/10/24/263331024.db2.gz WQQXAJJJCQOCBH-UHFFFAOYSA-N 0 0 373.369 2.533 50 5 FFBARN NC(=O)c1c(NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)sc2c1CCCC2 ZINC000002761038 506290319 /nfs/dbraw/zinc/29/03/19/506290319.db2.gz WONGNDCFXIIJFL-FNORWQNLSA-N 0 0 361.379 2.879 50 5 FFBARN CCNC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1 ZINC000002864629 506298911 /nfs/dbraw/zinc/29/89/11/506298911.db2.gz QLCFPHQDBYDXAX-QGZVFWFLSA-N 0 0 371.393 2.568 50 5 FFBARN O=C(CCC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)NC1CCCCC1 ZINC000003004390 506305604 /nfs/dbraw/zinc/30/56/04/506305604.db2.gz LZLANBSFUYYSLR-UHFFFAOYSA-N 0 0 362.382 2.550 50 5 FFBARN COC(=O)c1ccc(SCC(=O)NCCc2ccccc2)c([N+](=O)[O-])c1 ZINC000003032003 506306602 /nfs/dbraw/zinc/30/66/02/506306602.db2.gz AXVXEJUSTXGHNB-UHFFFAOYSA-N 0 0 374.418 2.832 50 5 FFBARN CCCN(CC(F)(F)F)S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000032916490 506312793 /nfs/dbraw/zinc/31/27/93/506312793.db2.gz WZDBOBBHHBRRDL-UHFFFAOYSA-N 0 0 356.322 2.566 50 5 FFBARN Cc1nc(CC(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)cs1 ZINC000003301597 506320580 /nfs/dbraw/zinc/32/05/80/506320580.db2.gz WYPMUQPYWMAQJS-UHFFFAOYSA-N 0 0 350.352 2.512 50 5 FFBARN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)NCCc1ccccc1 ZINC000003349622 506324690 /nfs/dbraw/zinc/32/46/90/506324690.db2.gz VVSDYVGVDYHAFF-UHFFFAOYSA-N 0 0 362.769 2.764 50 5 FFBARN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Oc1ccc(F)c(F)c1 ZINC000003432147 506330486 /nfs/dbraw/zinc/33/04/86/506330486.db2.gz POYGPBREFUVIIM-UHFFFAOYSA-N 0 0 350.277 2.599 50 5 FFBARN Cc1ccc2c(CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc(=O)oc2c1 ZINC000003415586 506329141 /nfs/dbraw/zinc/32/91/41/506329141.db2.gz GAMSCCHHFQOSRD-UHFFFAOYSA-N 0 0 364.313 2.806 50 5 FFBARN COc1cccc2c1ccn(CC(=O)Nc1ccc([N+](=O)[O-])cc1)c2=O ZINC000004292193 506370242 /nfs/dbraw/zinc/37/02/42/506370242.db2.gz ARYDMBINPBYPAY-UHFFFAOYSA-N 0 0 353.334 2.557 50 5 FFBARN Cc1ccc(N2C[C@@H](NC(=O)Cc3ccc([N+](=O)[O-])cc3)CC2=O)cc1C ZINC000004497046 506377721 /nfs/dbraw/zinc/37/77/21/506377721.db2.gz QFXQJHXHLHQGRE-INIZCTEOSA-N 0 0 367.405 2.676 50 5 FFBARN Cc1c(C(=O)N[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000004497407 506378452 /nfs/dbraw/zinc/37/84/52/506378452.db2.gz IIVBJEQTFZFQQE-CYBMUJFWSA-N 0 0 357.341 2.578 50 5 FFBARN COC(CNC(=O)c1ccc(N2CCc3ccccc32)c([N+](=O)[O-])c1)OC ZINC000004660561 506386551 /nfs/dbraw/zinc/38/65/51/506386551.db2.gz IYAGELTYGVQHSV-UHFFFAOYSA-N 0 0 371.393 2.638 50 5 FFBARN COc1ccc(/C=C/C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000004901100 506404159 /nfs/dbraw/zinc/40/41/59/506404159.db2.gz VRAUMVFKGVMFIU-NYYWCZLTSA-N 0 0 367.405 2.965 50 5 FFBARN O=C(CS(=O)(=O)Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000005014178 506414570 /nfs/dbraw/zinc/41/45/70/506414570.db2.gz ZCTQUBIPWYNITN-UHFFFAOYSA-N 0 0 368.798 2.802 50 5 FFBARN Cc1cccc(Nc2nc(N3C[C@@H](C)O[C@H](C)C3)nc(N)c2[N+](=O)[O-])c1 ZINC000005068639 506418868 /nfs/dbraw/zinc/41/88/68/506418868.db2.gz QBAOLCNCQYYCFT-VXGBXAGGSA-N 0 0 358.402 2.633 50 5 FFBARN Cc1ccc(N2C(=O)C[C@]3(CC(c4cccc([N+](=O)[O-])c4)=NO3)C2=O)cc1 ZINC000005053148 506419742 /nfs/dbraw/zinc/41/97/42/506419742.db2.gz IFOQFYBTRATCGS-LJQANCHMSA-N 0 0 365.345 2.730 50 5 FFBARN C[C@H]1C(=O)N(c2ccc([N+](=O)[O-])cc2)CCN1C(=O)c1ccc(F)cc1 ZINC000037522068 506427604 /nfs/dbraw/zinc/42/76/04/506427604.db2.gz RMILMMJFRNEBFL-LBPRGKRZSA-N 0 0 357.341 2.611 50 5 FFBARN CCOC(=O)c1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000005499816 506445515 /nfs/dbraw/zinc/44/55/15/506445515.db2.gz XMQWLMBQIJGUJK-UHFFFAOYSA-N 0 0 373.390 2.898 50 5 FFBARN Cn1c(=O)nc(SCC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000005712931 506455183 /nfs/dbraw/zinc/45/51/83/506455183.db2.gz IIBKJKDGNBTINP-UHFFFAOYSA-N 0 0 355.375 2.817 50 5 FFBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000040073850 506463282 /nfs/dbraw/zinc/46/32/82/506463282.db2.gz OFTDOLLULFXALW-CMPLNLGQSA-N 0 0 373.331 2.525 50 5 FFBARN O=C(Nc1ccc([N+](=O)[O-])cc1)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 ZINC000040141394 506471888 /nfs/dbraw/zinc/47/18/88/506471888.db2.gz SITHSCKFWKNQDM-UHFFFAOYSA-N 0 0 370.340 2.851 50 5 FFBARN CCN(CC)c1ccc(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cn1 ZINC000040153724 506475824 /nfs/dbraw/zinc/47/58/24/506475824.db2.gz ZDMZHPTYDVYASP-UHFFFAOYSA-N 0 0 364.427 2.983 50 5 FFBARN CCc1ccc2c(c1)[C@@](O)(CC(=O)c1ccc(OC)c([N+](=O)[O-])c1)C(=O)N2 ZINC000006758915 506504064 /nfs/dbraw/zinc/50/40/64/506504064.db2.gz WBYTVVYNLDAZEU-IBGZPJMESA-N 0 0 370.361 2.579 50 5 FFBARN C[C@@H]1c2cccn2CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000006949125 506518749 /nfs/dbraw/zinc/51/87/49/506518749.db2.gz DCUHILDHKMSKBV-SNVBAGLBSA-N 0 0 355.803 2.815 50 5 FFBARN CCn1c2ccccc2c2cc(NC(=O)Cn3cnc([N+](=O)[O-])n3)ccc21 ZINC000007453859 506564163 /nfs/dbraw/zinc/56/41/63/506564163.db2.gz AVZAGYWHQDOWEU-UHFFFAOYSA-N 0 0 364.365 2.953 50 5 FFBARN CSc1ncccc1C(=O)O[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000007657629 506578510 /nfs/dbraw/zinc/57/85/10/506578510.db2.gz XUVLJKVZRVYPLY-JTQLQIEISA-N 0 0 361.379 2.896 50 5 FFBARN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)Nc1ccccc1Cl ZINC000007749965 506588139 /nfs/dbraw/zinc/58/81/39/506588139.db2.gz HNQHRAXJUCJOPA-UHFFFAOYSA-N 0 0 361.741 2.612 50 5 FFBARN C[C@H]1c2ccsc2CCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000007830045 506594701 /nfs/dbraw/zinc/59/47/01/506594701.db2.gz ZREOGAHILSXRSR-LBPRGKRZSA-N 0 0 373.434 2.922 50 5 FFBARN Cc1nn(Cc2ccc(C(=O)NCc3ccccn3)cc2)c(C)c1[N+](=O)[O-] ZINC000008073259 506619776 /nfs/dbraw/zinc/61/97/76/506619776.db2.gz HOMMWUODDJOANS-UHFFFAOYSA-N 0 0 365.393 2.781 50 5 FFBARN COc1cccc2c(=O)c3c(O)cc(OCC(=O)OC(C)C)cc3oc12 ZINC000008235660 506634920 /nfs/dbraw/zinc/63/49/20/506634920.db2.gz QRBDPEJMKXGTGY-UHFFFAOYSA-N 0 0 358.346 2.991 50 5 biogenic FFBARN Cc1cccc([N+](=O)[O-])c1NC(=O)COc1ccc(Cl)cc1C(N)=O ZINC000008752067 506667668 /nfs/dbraw/zinc/66/76/68/506667668.db2.gz ZIFMUAUWWATVJN-UHFFFAOYSA-N 0 0 363.757 2.673 50 5 FFBARN Cc1ccc(NC(=O)CCn2c(=O)oc3cc([N+](=O)[O-])ccc32)c(O)c1 ZINC000008771266 506669159 /nfs/dbraw/zinc/66/91/59/506669159.db2.gz BXBFMVOJXWVFII-UHFFFAOYSA-N 0 0 357.322 2.546 50 5 FFBARN COc1cccc(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)c1O ZINC000009255702 506687460 /nfs/dbraw/zinc/68/74/60/506687460.db2.gz SLIRONZFRJIRNB-UHFFFAOYSA-N 0 0 361.306 2.533 50 5 FFBARN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])s1)NC[C@@H]1COCCO1 ZINC000055846779 506868767 /nfs/dbraw/zinc/86/87/67/506868767.db2.gz HVUQDSGJFLSYNO-STMXVASLSA-N 0 0 374.418 2.868 50 5 FFBARN CC(C)(C)NC(=O)[C@H]1Cc2ccccc2CN1c1ncccc1[N+](=O)[O-] ZINC000020386076 507220866 /nfs/dbraw/zinc/22/08/66/507220866.db2.gz HCVVKYGIOCDOEX-MRXNPFEDSA-N 0 0 354.410 2.836 50 5 FFBARN COc1ccc(CN(C)Cn2nc(C)c([N+](=O)[O-])c2C)c(OC)c1OC ZINC000058160838 507377220 /nfs/dbraw/zinc/37/72/20/507377220.db2.gz QYELXSGQXYSTAK-UHFFFAOYSA-N 0 0 364.402 2.523 50 5 FFBARN COc1ccc(NC(=O)N(C)C[C@@H]2COc3ccccc3O2)c([N+](=O)[O-])c1 ZINC000024690750 507430916 /nfs/dbraw/zinc/43/09/16/507430916.db2.gz XFMNRDNTXIWODR-CYBMUJFWSA-N 0 0 373.365 2.907 50 5 FFBARN C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000024796409 507438340 /nfs/dbraw/zinc/43/83/40/507438340.db2.gz ZIKRIZPVJWAUGF-IYBDPMFKSA-N 0 0 360.458 2.506 50 5 FFBARN C[C@@H]1c2ccsc2CCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000025382230 507496754 /nfs/dbraw/zinc/49/67/54/507496754.db2.gz LEODFIQMFALFQX-LLVKDONJSA-N 0 0 369.406 2.997 50 5 FFBARN O=C(NCc1ccc(-n2ccnc2)nc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000031909690 507822281 /nfs/dbraw/zinc/82/22/81/507822281.db2.gz MYDDVFLPWZKDEQ-UHFFFAOYSA-N 0 0 357.757 2.759 50 5 FFBARN Cc1nc2cc(NS(=O)(=O)CCc3ccccc3[N+](=O)[O-])ccc2n1C ZINC000089721619 507859409 /nfs/dbraw/zinc/85/94/09/507859409.db2.gz BOWNUVSWCISZAL-UHFFFAOYSA-N 0 0 374.422 2.774 50 5 FFBARN O=S(=O)(CCNc1ncnc2cc3ccccc3cc21)NCC1CCC1 ZINC000095437093 508185072 /nfs/dbraw/zinc/18/50/72/508185072.db2.gz DJNZRIDEPOJYAE-UHFFFAOYSA-N 0 0 370.478 2.914 50 5 FFBARN COc1ccc2c(c1)CCCN(c1cc3nc[nH]c(=O)c3cc1[N+](=O)[O-])C2 ZINC000170621102 509683539 /nfs/dbraw/zinc/68/35/39/509683539.db2.gz HAVLBOAOYVTXCM-UHFFFAOYSA-N 0 0 366.377 2.793 50 5 FFBARN Cc1nn(CCC(=O)Nc2nc(-c3ccccc3)ns2)c(C)c1[N+](=O)[O-] ZINC000263657968 510772903 /nfs/dbraw/zinc/77/29/03/510772903.db2.gz ITHVZDCONRZXSK-UHFFFAOYSA-N 0 0 372.410 2.955 50 5 FFBARN CC(=O)N[C@H]1Cc2ccccc2N(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000095972518 534673872 /nfs/dbraw/zinc/67/38/72/534673872.db2.gz JZMYRNYFXCNJNS-HNNXBMFYSA-N 0 0 373.796 2.956 50 5 FFBARN COc1ccccc1N1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000000805352 537066837 /nfs/dbraw/zinc/06/68/37/537066837.db2.gz KNVCIGJMUWZNAX-UHFFFAOYSA-N 0 0 355.394 2.874 50 5 FFBARN Cc1nn(C)c(N2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)c1[N+](=O)[O-] ZINC000047331254 570885261 /nfs/dbraw/zinc/88/52/61/570885261.db2.gz YXGXMNFVXCEJAS-UHFFFAOYSA-N 0 0 371.441 2.723 50 5 FFBARN Cc1c(NC(=O)/C=C\c2ccc([N+](=O)[O-])o2)c(=O)n(-c2ccccc2)n1C ZINC000097998602 1013244513 /nfs/dbraw/zinc/24/45/13/1013244513.db2.gz ASBKXIFBRMYLGP-NTMALXAHSA-N 0 0 368.349 2.638 50 5 FFBARN Cc1ccc(CNC(=O)COC(=O)/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000097655829 1012920249 /nfs/dbraw/zinc/92/02/49/1012920249.db2.gz ZZRJQFFWJBUKBN-KHPPLWFESA-N 0 0 354.362 2.776 50 5 FFBARN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)OCC(=O)Nc1ccc2c(c1)OCO2 ZINC000035145432 1019302160 /nfs/dbraw/zinc/30/21/60/1019302160.db2.gz QQSOIOXLTIDWMH-BAQGIRSFSA-N 0 0 370.317 2.519 50 5 FFBARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)[C@H]1c1ccccc1[N+](=O)[O-] ZINC000000628571 210253890 /nfs/dbraw/zinc/25/38/90/210253890.db2.gz RSTVYACYSIEKFX-KRWDZBQOSA-N 0 0 374.393 2.954 50 5 FFBARN COC(=O)c1cc(C(=O)Nc2nnc(C(C)(C)C)s2)cc([N+](=O)[O-])c1 ZINC000002991647 219480214 /nfs/dbraw/zinc/48/02/14/219480214.db2.gz SUAIPJKWKYHPKE-UHFFFAOYSA-N 0 0 364.383 2.783 50 5 FFBARN Cc1ccc(C(=O)CSc2nnnn2-c2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000008428343 219862502 /nfs/dbraw/zinc/86/25/02/219862502.db2.gz KDFSUMSAEGGCNZ-UHFFFAOYSA-N 0 0 371.378 2.560 50 5 FFBARN COc1ccc(C)cc1NC(=O)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000058264170 212000892 /nfs/dbraw/zinc/00/08/92/212000892.db2.gz MNRZSTVNLXHNJP-UHFFFAOYSA-N 0 0 367.365 2.809 50 5 FFBARN Cc1nnc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)n1C ZINC000058306716 212003214 /nfs/dbraw/zinc/00/32/14/212003214.db2.gz CJNZJOPFXWNLNV-MRXNPFEDSA-N 0 0 351.366 2.551 50 5 FFBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])NCc1cccc(Cn2cncn2)c1 ZINC000058280989 212001879 /nfs/dbraw/zinc/00/18/79/212001879.db2.gz HVZMERIJTJIVOZ-CMDGGOBGSA-N 0 0 363.377 2.564 50 5 FFBARN COC(=O)c1cc([N+](=O)[O-])c(=O)n(Cc2ccc(Cl)cc2Cl)c1 ZINC000041744554 211774158 /nfs/dbraw/zinc/77/41/58/211774158.db2.gz QYRMJZGBNYJSRY-UHFFFAOYSA-N 0 0 357.149 2.898 50 5 FFBARN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC[C@@H]1CCCO1 ZINC000032780744 211562305 /nfs/dbraw/zinc/56/23/05/211562305.db2.gz XGQPVXVIGBMEFH-NSHDSACASA-N 0 0 361.320 2.711 50 5 FFBARN COc1cc([N+](=O)[O-])ccc1NC=C1N=C(c2ccccc2F)OC1=O ZINC000027499501 211465281 /nfs/dbraw/zinc/46/52/81/211465281.db2.gz AZBWVIVSUMUBAJ-ZROIWOOFSA-N 0 0 357.297 2.999 50 5 FFBARN Cc1cc(C)n(-c2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cn2)n1 ZINC000024785561 211414337 /nfs/dbraw/zinc/41/43/37/211414337.db2.gz QQOVGQSMTBLUGB-UHFFFAOYSA-N 0 0 351.366 2.974 50 5 FFBARN C[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000024227685 211403937 /nfs/dbraw/zinc/40/39/37/211403937.db2.gz OVLZYDUNNNBTFM-LBPRGKRZSA-N 0 0 358.350 2.622 50 5 FFBARN CSc1ccc(C(=O)N2CCN(Cc3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000023800936 211397246 /nfs/dbraw/zinc/39/72/46/211397246.db2.gz YGCWOOHYISTNTA-UHFFFAOYSA-N 0 0 372.450 2.670 50 5 FFBARN CC(=O)NC1=NN(C(C)=O)[C@@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S1 ZINC000020895547 211298454 /nfs/dbraw/zinc/29/84/54/211298454.db2.gz BJXLKFMVYHTHBP-OAHLLOKOSA-N 0 0 374.378 2.856 50 5 FFBARN Cc1cc(C)c2c(n1)sc1c2nnn(-c2cccc([N+](=O)[O-])c2)c1=O ZINC000020446335 211280060 /nfs/dbraw/zinc/28/00/60/211280060.db2.gz KJPCRJYYLHPLRJ-UHFFFAOYSA-N 0 0 353.363 2.915 50 5 FFBARN Cc1c(NC(=O)c2ccc(CN3CCOCC3)cc2)cccc1[N+](=O)[O-] ZINC000020363372 211277303 /nfs/dbraw/zinc/27/73/03/211277303.db2.gz POPXVLNFILMSBX-UHFFFAOYSA-N 0 0 355.394 2.988 50 5 FFBARN Cc1cccn2c(=O)c(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)c(C)nc12 ZINC000015865281 211148432 /nfs/dbraw/zinc/14/84/32/211148432.db2.gz DUSTULLSZQSFMP-UHFFFAOYSA-N 0 0 352.350 2.780 50 5 FFBARN Cc1c(C(=O)Nc2ccc(F)c(NS(C)(=O)=O)c2)cccc1[N+](=O)[O-] ZINC000012911613 211007802 /nfs/dbraw/zinc/00/78/02/211007802.db2.gz WCXSJKORCOBMDE-UHFFFAOYSA-N 0 0 367.358 2.666 50 5 FFBARN COc1cc(C(=O)N2CCO[C@@H](c3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000012872040 211002692 /nfs/dbraw/zinc/00/26/92/211002692.db2.gz HACKXOMHANMNDH-GOSISDBHSA-N 0 0 372.377 2.826 50 5 FFBARN O=c1c([N+](=O)[O-])c(Nc2ccc3c(c2)OCCCO3)nc2ccccn21 ZINC000012537363 210966045 /nfs/dbraw/zinc/96/60/45/210966045.db2.gz HYEXHHBYCUOFIU-UHFFFAOYSA-N 0 0 354.322 2.508 50 5 FFBARN O=c1c2cnn(-c3ccc(F)cc3)c2ncn1Cc1ccc([N+](=O)[O-])cc1 ZINC000005139284 210602502 /nfs/dbraw/zinc/60/25/02/210602502.db2.gz AHPHAAKNWWOCJY-UHFFFAOYSA-N 0 0 365.324 2.678 50 5 FFBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccn(OCc2ccccc2)c1=O ZINC000005054755 210595815 /nfs/dbraw/zinc/59/58/15/210595815.db2.gz SZIHJKDKTIQPJG-UHFFFAOYSA-N 0 0 365.345 2.638 50 5 FFBARN CC(=O)N/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004526249 210537969 /nfs/dbraw/zinc/53/79/69/210537969.db2.gz GRGHBYBZGDBHNJ-MHWRWJLKSA-N 0 0 370.321 2.619 50 5 FFBARN O=C(c1c([N+](=O)[O-])cc(Oc2ccccc2)cc1[N+](=O)[O-])N1CCOCC1 ZINC000004547584 210539447 /nfs/dbraw/zinc/53/94/47/210539447.db2.gz PCUWUBZRGVJUOH-UHFFFAOYSA-N 0 0 373.321 2.768 50 5 FFBARN CCNC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1 ZINC000002864630 210431241 /nfs/dbraw/zinc/43/12/41/210431241.db2.gz QLCFPHQDBYDXAX-KRWDZBQOSA-N 0 0 371.393 2.568 50 5 FFBARN Cn1c(=O)nc2n(Cc3ccccc3)c3cccc(Cl)c3cc-2c1=O ZINC000002234972 210385279 /nfs/dbraw/zinc/38/52/79/210385279.db2.gz YDDXVVWBVJHQBB-UHFFFAOYSA-N 0 0 351.793 2.902 50 5 FFBARN COC(=O)c1sccc1OS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000002162803 210382247 /nfs/dbraw/zinc/38/22/47/210382247.db2.gz DGOXCGCZEGEKBV-UHFFFAOYSA-N 0 0 357.365 2.519 50 5 FFBARN COC(=O)c1cc([N+](=O)[O-])ccc1-c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000001717038 210368144 /nfs/dbraw/zinc/36/81/44/210368144.db2.gz DGANXQLLXWERMX-UHFFFAOYSA-N 0 0 360.278 2.743 50 5 FFBARN COc1ccc(C(=O)Cn2c(C)nc([N+](=O)[O-])c2Br)cc1 ZINC000001301737 210341561 /nfs/dbraw/zinc/34/15/61/210341561.db2.gz RDSWBYNHWGGNGU-UHFFFAOYSA-N 0 0 354.160 2.754 50 5 FFBARN CC(C)CNC(=O)c1cccc(NC(=O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000001148190 210326195 /nfs/dbraw/zinc/32/61/95/210326195.db2.gz HWDUFEFJQPMAKT-UHFFFAOYSA-N 0 0 371.393 2.998 50 5 FFBARN CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000001122140 210319285 /nfs/dbraw/zinc/31/92/85/210319285.db2.gz PPTQFUVKBSSMME-UHFFFAOYSA-N 0 0 370.321 2.803 50 5 FFBARN CC(=O)Nc1ccc(C2=N/C(=C/c3cccc([N+](=O)[O-])c3)C(=O)O2)cc1 ZINC000000880342 210285110 /nfs/dbraw/zinc/28/51/10/210285110.db2.gz KAOMMPSPHYWBNG-MHWRWJLKSA-N 0 0 351.318 2.898 50 5 FFBARN COc1cc(NC(=O)Cn2nc(C(F)(F)F)cc2C)cc([N+](=O)[O-])c1 ZINC000000825511 210276757 /nfs/dbraw/zinc/27/67/57/210276757.db2.gz VBXMKVWEISVKEP-UHFFFAOYSA-N 0 0 358.276 2.766 50 5 FFBARN Cc1c(NC(=O)c2cccc([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C ZINC000000822427 210275637 /nfs/dbraw/zinc/27/56/37/210275637.db2.gz WRLBLWGLQQXHBP-UHFFFAOYSA-N 0 0 352.350 2.645 50 5 FFBARN CCOC(=O)N1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000024471052 220448461 /nfs/dbraw/zinc/44/84/61/220448461.db2.gz YRENPOULLYVUIW-UHFFFAOYSA-N 0 0 355.778 2.599 50 5 FFBARN CCc1ccc(NC(=O)c2cccc(NS(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000032031234 220651990 /nfs/dbraw/zinc/65/19/90/220651990.db2.gz LOTJPEKIOKCTLY-UHFFFAOYSA-N 0 0 363.395 2.781 50 5 FFBARN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(-n2cccn2)c1 ZINC000048355186 221009780 /nfs/dbraw/zinc/00/97/80/221009780.db2.gz CZFHFVWRSMXAMD-UHFFFAOYSA-N 0 0 358.379 2.890 50 5 FFBARN COC(=O)c1cc([N+](=O)[O-])cn(Cc2c(C)cc(C)c(C(C)=O)c2C)c1=O ZINC000048186429 221000997 /nfs/dbraw/zinc/00/09/97/221000997.db2.gz VIAPWMLKYBDMLB-UHFFFAOYSA-N 0 0 372.377 2.719 50 5 FFBARN CCn1c(CNC(=O)COc2ccccc2[N+](=O)[O-])nc2ccccc21 ZINC000057995763 221096435 /nfs/dbraw/zinc/09/64/35/221096435.db2.gz HRMXCKMRXUKPPR-UHFFFAOYSA-N 0 0 354.366 2.660 50 5 FFBARN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCc1ccc2c(c1)OCO2 ZINC000058066762 221098543 /nfs/dbraw/zinc/09/85/43/221098543.db2.gz MZBZXXZOUOAMAS-UHFFFAOYSA-N 0 0 353.334 2.595 50 5 FFBARN O=C(N[C@H]1C[C@H]1c1cccc(F)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000067092483 221247175 /nfs/dbraw/zinc/24/71/75/221247175.db2.gz ZKAHCVKFLOWEGX-JSGCOSHPSA-N 0 0 358.325 2.791 50 5 FFBARN COC(=O)/C=C\CN1C(=O)[C@@H](c2ccccc2)Oc2cc([N+](=O)[O-])ccc21 ZINC000097406793 132228921 /nfs/dbraw/zinc/22/89/21/132228921.db2.gz UIMZWCJZDWWSCW-GNJLHFKMSA-N 0 0 368.345 2.791 50 5 FFBARN Cc1cc(C)c([N+](=O)[O-])c(N2CCN(c3cc(C4(C)CC4)[nH]n3)CC2)n1 ZINC000225814521 132286733 /nfs/dbraw/zinc/28/67/33/132286733.db2.gz RJQCQATTYDTJGI-UHFFFAOYSA-N 0 0 356.430 2.708 50 5 FFBARN Cc1ccc([N+](=O)[O-])c(OCC(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000009368921 132378881 /nfs/dbraw/zinc/37/88/81/132378881.db2.gz VAKNZMFHWGZBQV-UHFFFAOYSA-N 0 0 355.394 2.631 50 5 FFBARN Cc1ccc(Nc2nc(N3C[C@H](C)O[C@@H](C)C3)nc(N)c2[N+](=O)[O-])cc1C ZINC000004306087 132386775 /nfs/dbraw/zinc/38/67/75/132386775.db2.gz LTTZAUJAACBVAQ-STQMWFEESA-N 0 0 372.429 2.941 50 5 FFBARN C[C@@H](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1ccccc1 ZINC000057140764 136128297 /nfs/dbraw/zinc/12/82/97/136128297.db2.gz AXPDEFGTVXIDLW-HNNXBMFYSA-N 0 0 354.410 2.832 50 5 FFBARN O=C(NCc1cccnc1)c1ccc(NCc2cccnc2)c([N+](=O)[O-])c1 ZINC000096361334 222117645 /nfs/dbraw/zinc/11/76/45/222117645.db2.gz XLJGWPQWBCROLR-UHFFFAOYSA-N 0 0 363.377 2.927 50 5 FFBARN O=C1[C@H]2ON=C(c3cccc([N+](=O)[O-])c3)C2=C(O)N1c1ccc(Cl)cc1 ZINC000101075087 222261000 /nfs/dbraw/zinc/26/10/00/222261000.db2.gz ZHUAXXIMKWNYMN-HIFRSBDPSA-N 0 0 371.736 2.541 50 5 FFBARN CCOC(=O)[C@@H]1CCCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000104810592 222361625 /nfs/dbraw/zinc/36/16/25/222361625.db2.gz XZLSFBUSSPXDLM-TZMCWYRMSA-N 0 0 374.397 2.981 50 5 FFBARN Cc1cc(C(=O)COc2cccnc2[N+](=O)[O-])c(C)n1C[C@@H]1CCCO1 ZINC000002653738 506287052 /nfs/dbraw/zinc/28/70/52/506287052.db2.gz VGESANCCSAMMEP-AWEZNQCLSA-N 0 0 359.382 2.849 50 5 FFBARN C[C@@H](Cn1cc([N+](=O)[O-])cn1)C(=O)Nc1ccc(Br)cc1F ZINC000002794306 506293390 /nfs/dbraw/zinc/29/33/90/506293390.db2.gz QUIYLDJCMVWFHM-QMMMGPOBSA-N 0 0 371.166 2.968 50 5 FFBARN C[C@@H](Oc1ccccc1Cl)C(=O)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000032795471 506296947 /nfs/dbraw/zinc/29/69/47/506296947.db2.gz PTGSXWLKPLXZLO-ABAIWWIYSA-N 0 0 364.785 2.865 50 5 FFBARN O=[N+]([O-])c1ccn(C(=S)Nc2cnn(Cc3ccccc3Cl)c2)n1 ZINC000002802534 506294988 /nfs/dbraw/zinc/29/49/88/506294988.db2.gz XEODITMINQITSR-UHFFFAOYSA-N 0 0 362.802 2.935 50 5 FFBARN Cc1cccc(C(=O)N2CCC[C@@H]2c2nnc3ccccn32)c1[N+](=O)[O-] ZINC000032809040 506298387 /nfs/dbraw/zinc/29/83/87/506298387.db2.gz LSUHIEGVHWQQDA-CQSZACIVSA-N 0 0 351.366 2.923 50 5 FFBARN Cc1c(Br)c([N+](=O)[O-])nn1[C@H](C)C(=O)NCc1cccs1 ZINC000002884713 506300424 /nfs/dbraw/zinc/30/04/24/506300424.db2.gz BZHVCOXKGFTLAZ-MRVPVSSYSA-N 0 0 373.232 2.801 50 5 FFBARN Cc1noc2nc(C)cc(C(=O)NCCNc3ccc([N+](=O)[O-])cc3)c12 ZINC000032870502 506305730 /nfs/dbraw/zinc/30/57/30/506305730.db2.gz FXXFFFNJKBHIND-UHFFFAOYSA-N 0 0 355.354 2.590 50 5 FFBARN COc1ccc(OC)c(S(=O)(=O)Oc2ccc(C)cc2[N+](=O)[O-])c1 ZINC000003120043 506311167 /nfs/dbraw/zinc/31/11/67/506311167.db2.gz UEDMIWPXGSNVMO-UHFFFAOYSA-N 0 0 353.352 2.688 50 5 FFBARN C[C@H]1Cc2ccccc2N1C(=O)COC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000003217721 506313689 /nfs/dbraw/zinc/31/36/89/506313689.db2.gz CSUXYACMXJPLPJ-ZDUSSCGKSA-N 0 0 354.362 2.658 50 5 FFBARN C[C@H](NC(=O)COc1ncnc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000003445154 506331110 /nfs/dbraw/zinc/33/11/10/506331110.db2.gz DHNNSMFJXPLJQL-LBPRGKRZSA-N 0 0 352.350 2.794 50 5 FFBARN CCOc1ccccc1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003472538 506333760 /nfs/dbraw/zinc/33/37/60/506333760.db2.gz DNDZWUWVOWTWBN-UHFFFAOYSA-N 0 0 357.366 2.752 50 5 FFBARN O=[N+]([O-])c1c2nonc2c(SCc2ccco2)cc1NCCCO ZINC000004672880 506386804 /nfs/dbraw/zinc/38/68/04/506386804.db2.gz HLYQFJBEFRRTJU-UHFFFAOYSA-N 0 0 350.356 2.811 50 5 FFBARN O=C(c1ccc([N+](=O)[O-])cc1)N1NC2=C(CCCC2)[C@@]1(O)C(F)(F)F ZINC000004725158 506390892 /nfs/dbraw/zinc/39/08/92/506390892.db2.gz KVXMFALNGFOCRG-BXUZGUMPSA-N 0 0 357.288 2.848 50 5 FFBARN O=C(NC1CCCC1)[C@@H](c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCCC1 ZINC000036067086 506394130 /nfs/dbraw/zinc/39/41/30/506394130.db2.gz LFAVGASHZDCQGC-QGZVFWFLSA-N 0 0 361.398 2.519 50 5 FFBARN CCN1C(=O)c2ccc(C(=O)Nc3ccc(C)cc3[N+](=O)[O-])cc2C1=O ZINC000004865359 506401150 /nfs/dbraw/zinc/40/11/50/506401150.db2.gz CQPLRBOZGSQXAT-UHFFFAOYSA-N 0 0 353.334 2.771 50 5 FFBARN O=[N+]([O-])c1cccc(S(=O)(=O)NCCOc2ccc(Cl)cc2)c1 ZINC000004892769 506402506 /nfs/dbraw/zinc/40/25/06/506402506.db2.gz CCPCLARWZSOHFM-UHFFFAOYSA-N 0 0 356.787 2.606 50 5 FFBARN COc1cc(NC(=O)COC(=O)/C=C/c2ccco2)c(C)cc1[N+](=O)[O-] ZINC000005113212 506422283 /nfs/dbraw/zinc/42/22/83/506422283.db2.gz XARJOJHOAJUDBZ-AATRIKPKSA-N 0 0 360.322 2.700 50 5 FFBARN O=C(Nc1ccc2nc3n(c(=O)c2c1)CCCC3)c1cccc([N+](=O)[O-])c1 ZINC000005139790 506423918 /nfs/dbraw/zinc/42/39/18/506423918.db2.gz CMEBOQLOPXZYKI-UHFFFAOYSA-N 0 0 364.361 2.893 50 5 FFBARN O=C(COC(=O)c1n[nH]c2ccccc21)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000005360854 506437981 /nfs/dbraw/zinc/43/79/81/506437981.db2.gz YDCAHMATCMAFNI-UHFFFAOYSA-N 0 0 374.740 2.920 50 5 FFBARN Cc1ccc(OCC(=O)Nc2ccc(N3CCOCC3)cc2)c([N+](=O)[O-])c1 ZINC000007047408 506528260 /nfs/dbraw/zinc/52/82/60/506528260.db2.gz BHBRUQNMHNRRPB-UHFFFAOYSA-N 0 0 371.393 2.757 50 5 FFBARN CCN1C[C@@H](CN(C)C(=O)c2cccc([N+](=O)[O-])c2)Oc2ccccc21 ZINC000007256942 506547402 /nfs/dbraw/zinc/54/74/02/506547402.db2.gz WLRIWXKAFJKISR-MRXNPFEDSA-N 0 0 355.394 2.954 50 5 FFBARN C[C@@H](C(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000007400519 506560421 /nfs/dbraw/zinc/56/04/21/506560421.db2.gz VEOCWHNCHDGZED-JTQLQIEISA-N 0 0 352.343 2.535 50 5 FFBARN Cc1cc(NC(=O)Cn2cnc3sccc3c2=O)c([N+](=O)[O-])cc1C ZINC000007495041 506567740 /nfs/dbraw/zinc/56/77/40/506567740.db2.gz YYANWJMJFRERKU-UHFFFAOYSA-N 0 0 358.379 2.622 50 5 FFBARN COc1ccccc1CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000007802829 506590692 /nfs/dbraw/zinc/59/06/92/506590692.db2.gz LOJWCDIIQAEDMQ-UHFFFAOYSA-N 0 0 369.421 2.885 50 5 FFBARN Cc1ccc([N+](=O)[O-])c(C)c1OCc1ccc(S(=O)(=O)N(C)C)o1 ZINC000042157159 506604117 /nfs/dbraw/zinc/60/41/17/506604117.db2.gz QXNLYGCRUWVARV-UHFFFAOYSA-N 0 0 354.384 2.634 50 5 FFBARN COC(=O)c1ccsc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000008618121 506660953 /nfs/dbraw/zinc/66/09/53/506660953.db2.gz XFPYZJQQAWFWSU-UHFFFAOYSA-N 0 0 351.296 2.603 50 5 FFBARN Cc1ccn2c(c1)nc(C)c(NC(=O)c1cccc([N+](=O)[O-])c1C)c2=O ZINC000008611684 506660995 /nfs/dbraw/zinc/66/09/95/506660995.db2.gz GPJVSQZGAOXHIW-UHFFFAOYSA-N 0 0 352.350 2.780 50 5 FFBARN CC(=O)N1CCN(c2ccc(C(=O)Nc3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000008720399 506663594 /nfs/dbraw/zinc/66/35/94/506663594.db2.gz NHIRHOVRIDOTGI-UHFFFAOYSA-N 0 0 368.393 2.516 50 5 FFBARN CN(Cc1ccc2c(c1)OCO2)c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000008745692 506665466 /nfs/dbraw/zinc/66/54/66/506665466.db2.gz OINWBJOEKIKZAW-UHFFFAOYSA-N 0 0 369.377 2.852 50 5 FFBARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000008774508 506668876 /nfs/dbraw/zinc/66/88/76/506668876.db2.gz LAJDIPFYTDHEJJ-UHFFFAOYSA-N 0 0 374.349 2.959 50 5 FFBARN O=C(NC1CC1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000008779795 506669343 /nfs/dbraw/zinc/66/93/43/506669343.db2.gz LOOGFRWMZSRHIE-UHFFFAOYSA-N 0 0 358.320 2.608 50 5 FFBARN O=C1NC(=S)NC(=O)C12Cc1cc([N+](=O)[O-])ccc1N1CCCCC[C@H]12 ZINC000009009367 506677402 /nfs/dbraw/zinc/67/74/02/506677402.db2.gz IJBKDEZOSVNXCY-ZDUSSCGKSA-N 0 0 374.422 2.669 50 5 FFBARN COc1ccc(C)cc1NC(=O)CCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000009387572 506695795 /nfs/dbraw/zinc/69/57/95/506695795.db2.gz FKWAJGAOQRWFCV-UHFFFAOYSA-N 0 0 371.349 2.849 50 5 FFBARN Cc1ccc(NC(=O)CNc2ccccc2C(=O)NC2CC2)c([N+](=O)[O-])c1 ZINC000010755728 506753234 /nfs/dbraw/zinc/75/32/34/506753234.db2.gz RBOIXACOKDWLKF-UHFFFAOYSA-N 0 0 368.393 2.846 50 5 FFBARN O=C(Nc1ccc2c(c1)OCCO2)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000012375155 506856029 /nfs/dbraw/zinc/85/60/29/506856029.db2.gz WNZGURYHRFQFJS-UHFFFAOYSA-N 0 0 367.317 2.669 50 5 FFBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCn1cnc2sccc2c1=O ZINC000012822521 506905507 /nfs/dbraw/zinc/90/55/07/506905507.db2.gz PYRQMWSQLDVFHJ-UHFFFAOYSA-N 0 0 358.379 2.703 50 5 FFBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(C(=O)NC2CC2)cc1 ZINC000012915971 506915735 /nfs/dbraw/zinc/91/57/35/506915735.db2.gz DZTBUMVDWBAGAI-UHFFFAOYSA-N 0 0 355.350 2.505 50 5 FFBARN CCCCOC[C@@H](O)CN1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000019286095 507161589 /nfs/dbraw/zinc/16/15/89/507161589.db2.gz FDXAGIZWXPMQSZ-HNNXBMFYSA-N 0 0 371.865 2.548 50 5 FFBARN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[C@@H](O)c1ccc(F)c(F)c1 ZINC000057770754 507323787 /nfs/dbraw/zinc/32/37/87/507323787.db2.gz QXYHUWDOKDUKSY-QGZVFWFLSA-N 0 0 373.315 2.830 50 5 FFBARN Cc1cccc(C(=O)N2CCC(C(=O)Nc3ccncc3)CC2)c1[N+](=O)[O-] ZINC000024700478 507432786 /nfs/dbraw/zinc/43/27/86/507432786.db2.gz OYXJJLYKEGJEJU-UHFFFAOYSA-N 0 0 368.393 2.789 50 5 FFBARN O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1cccc(Cn2ccnc2)c1 ZINC000024753584 507434858 /nfs/dbraw/zinc/43/48/58/507434858.db2.gz JCISFMTXLWJAGP-UHFFFAOYSA-N 0 0 350.378 2.699 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000024816110 507440721 /nfs/dbraw/zinc/44/07/21/507440721.db2.gz MOTUNAAJWIRQAQ-CQSZACIVSA-N 0 0 355.394 2.860 50 5 FFBARN COC(=O)c1cccc2c1CCCN2C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000025190257 507473973 /nfs/dbraw/zinc/47/39/73/507473973.db2.gz IPMZSDLSOMZJBY-UHFFFAOYSA-N 0 0 370.361 2.983 50 5 FFBARN C[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccc(-c2ccccc2)cc1 ZINC000048224444 507483087 /nfs/dbraw/zinc/48/30/87/507483087.db2.gz WBYWXMXIJWXRON-CYBMUJFWSA-N 0 0 351.366 2.731 50 5 FFBARN O=C(NCCN1CCN(c2ccccc2)CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000027352888 507650294 /nfs/dbraw/zinc/65/02/94/507650294.db2.gz RLLJXFHFOYXDGI-UHFFFAOYSA-N 0 0 369.425 2.539 50 5 FFBARN CNc1ccc(C(=O)c2ccccc2C(=O)NCCCOC)cc1[N+](=O)[O-] ZINC000028270618 507716947 /nfs/dbraw/zinc/71/69/47/507716947.db2.gz TZXBHIRCHHRRTM-UHFFFAOYSA-N 0 0 371.393 2.634 50 5 FFBARN O=[N+]([O-])c1ccc(NC[C@@]2(N3CCOCC3)CCSC2)c(Cl)c1 ZINC000029625764 507784712 /nfs/dbraw/zinc/78/47/12/507784712.db2.gz KEWAEMIWBRFVTD-HNNXBMFYSA-N 0 0 357.863 2.868 50 5 FFBARN CSc1ncc(Cl)c(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)n1 ZINC000029888597 507794261 /nfs/dbraw/zinc/79/42/61/507794261.db2.gz GFIFCHBJDOOLSP-UHFFFAOYSA-N 0 0 350.787 2.963 50 5 FFBARN O=C(Cn1cnc2c3ccccc3oc2c1=O)Nc1ccccc1[N+](=O)[O-] ZINC000031744191 507821363 /nfs/dbraw/zinc/82/13/63/507821363.db2.gz JDQVTIQLOKUHGW-UHFFFAOYSA-N 0 0 364.317 2.690 50 5 FFBARN O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCc2ccc(F)cc21 ZINC000089813905 507869524 /nfs/dbraw/zinc/86/95/24/507869524.db2.gz OOYGIMWLLDTDFJ-UHFFFAOYSA-N 0 0 350.371 2.669 50 5 FFBARN CCN(CC)c1ccc(CNC(=O)c2cc(C)cc([N+](=O)[O-])c2N)cn1 ZINC000075583728 508119623 /nfs/dbraw/zinc/11/96/23/508119623.db2.gz FCODSSRQKCYPBT-UHFFFAOYSA-N 0 0 357.414 2.657 50 5 FFBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000170591473 509674629 /nfs/dbraw/zinc/67/46/29/509674629.db2.gz RAEGQMANDAUCEC-MEBBXXQBSA-N 0 0 355.778 2.708 50 5 FFBARN O=c1c([N+](=O)[O-])c(NCc2nc(-c3cccs3)c[nH]2)nc2ccccn21 ZINC000170619608 509683000 /nfs/dbraw/zinc/68/30/00/509683000.db2.gz HNFOZVLFECYWJP-UHFFFAOYSA-N 0 0 368.378 2.666 50 5 FFBARN Cc1cc2c(nc3sc(=Cc4cccc([N+](=O)[O-])c4)c(=O)n23)c(C)c1 ZINC000252668418 509858741 /nfs/dbraw/zinc/85/87/41/509858741.db2.gz FBWXKJIGXMPRRK-UHFFFAOYSA-N 0 0 351.387 2.982 50 5 FFBARN COc1ccccc1N1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000002309966 537063067 /nfs/dbraw/zinc/06/30/67/537063067.db2.gz NUKOAACTLSCAKB-MDZDMXLPSA-N 0 0 367.405 2.965 50 5 FFBARN CCn1c(C)cc(C(=O)Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)c1C ZINC000004515729 219582230 /nfs/dbraw/zinc/58/22/30/219582230.db2.gz UHANPSZHSHWEES-UHFFFAOYSA-N 0 0 354.366 2.626 50 5 FFBARN COc1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c1OC ZINC000005536487 219687912 /nfs/dbraw/zinc/68/79/12/219687912.db2.gz QUCZBVKIBRHIMZ-NSHDSACASA-N 0 0 374.349 2.796 50 5 FFBARN O=C(N[C@H](CN1CCCC1=O)c1ccccc1)c1cc(F)ccc1[N+](=O)[O-] ZINC000063505953 212031552 /nfs/dbraw/zinc/03/15/52/212031552.db2.gz IYRNLBCAYYSNDH-MRXNPFEDSA-N 0 0 371.368 2.827 50 5 FFBARN Cc1nn(C)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCO3)SCC(=O)N2 ZINC000061720332 212024778 /nfs/dbraw/zinc/02/47/78/212024778.db2.gz QLRWYZBWWFANFG-AWEZNQCLSA-N 0 0 362.367 2.790 50 5 FFBARN C[C@@H]1C(=O)N(CCOc2ccccc2[N+](=O)[O-])C(=O)N1c1ccccc1 ZINC000047354740 211851923 /nfs/dbraw/zinc/85/19/23/211851923.db2.gz DSXBVNKYVMQZAB-CYBMUJFWSA-N 0 0 355.350 2.831 50 5 FFBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)C[C@H]1COc2ccccc2O1 ZINC000016629064 220189285 /nfs/dbraw/zinc/18/92/85/220189285.db2.gz CEAUWPWQLKZKKF-HNNXBMFYSA-N 0 0 371.393 2.614 50 5 FFBARN CC[C@@H]1CCCN(C(=O)c2cc(OC)c(OC)c(OC)c2[N+](=O)[O-])C1 ZINC000031681221 211536532 /nfs/dbraw/zinc/53/65/32/211536532.db2.gz PLCRRNWRJCVTSB-LLVKDONJSA-N 0 0 352.387 2.883 50 5 FFBARN CCNc1nnc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc1NCC ZINC000019898250 211261634 /nfs/dbraw/zinc/26/16/34/211261634.db2.gz NLCHLIDJCVVUAX-UHFFFAOYSA-N 0 0 365.375 2.703 50 5 FFBARN COc1ccc(NC(=O)[C@@H](c2ccc([N+](=O)[O-])cc2)N2CCOCC2)cc1 ZINC000019537569 211230864 /nfs/dbraw/zinc/23/08/64/211230864.db2.gz WECIXYSOMPRLQC-GOSISDBHSA-N 0 0 371.393 2.615 50 5 FFBARN COC(=O)c1cc(C(=O)N(C)Cc2ccccc2OC)cc([N+](=O)[O-])c1 ZINC000018076263 211190565 /nfs/dbraw/zinc/19/05/65/211190565.db2.gz TVDDVUYQGWGYLD-UHFFFAOYSA-N 0 0 358.350 2.662 50 5 FFBARN O=C(Nc1ccccc1C(=O)NCc1cccnc1)c1ccc([N+](=O)[O-])o1 ZINC000010313147 210868605 /nfs/dbraw/zinc/86/86/05/210868605.db2.gz PZAPPZAKGBGFIC-UHFFFAOYSA-N 0 0 366.333 2.765 50 5 FFBARN O=C(/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2)Nc1nc2c(s1)CCC2 ZINC000008772554 210803592 /nfs/dbraw/zinc/80/35/92/210803592.db2.gz BEJHYJPZCIOIGH-SNAWJCMRSA-N 0 0 359.363 2.921 50 5 FFBARN Cc1csc(NC(=O)c2cccn(Cc3cccc([N+](=O)[O-])c3)c2=O)n1 ZINC000005270797 210610754 /nfs/dbraw/zinc/61/07/54/210610754.db2.gz CDHZKYVAILKPBG-UHFFFAOYSA-N 0 0 370.390 2.822 50 5 FFBARN O=C(Nc1ncc([N+](=O)[O-])s1)c1cccn(Cc2cccc(F)c2)c1=O ZINC000005268873 210610443 /nfs/dbraw/zinc/61/04/43/210610443.db2.gz BXUFCCWEUWLFAT-UHFFFAOYSA-N 0 0 374.353 2.653 50 5 FFBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)n1nnc(-c2ccccc2)n1 ZINC000004954327 210584053 /nfs/dbraw/zinc/58/40/53/210584053.db2.gz USXQMBHEOUYAAL-LBPRGKRZSA-N 0 0 352.354 2.756 50 5 FFBARN O=[N+]([O-])c1cc(Cl)ccc1NCCNS(=O)(=O)c1ccccc1 ZINC000004413888 210529545 /nfs/dbraw/zinc/52/95/45/210529545.db2.gz BNFUQHXBLOXZCU-UHFFFAOYSA-N 0 0 355.803 2.639 50 5 FFBARN COc1cccc(Nc2cc(NCCCO)c([N+](=O)[O-])c3nonc32)c1 ZINC000004193975 210515800 /nfs/dbraw/zinc/51/58/00/210515800.db2.gz QPRQSBVBPSWRFU-UHFFFAOYSA-N 0 0 359.342 2.678 50 5 FFBARN CN(C)C(=O)N[C@@H](Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl ZINC000003130612 210451112 /nfs/dbraw/zinc/45/11/12/210451112.db2.gz KLSOBTYDYWNKQL-SECBINFHSA-N 0 0 355.609 2.974 50 5 FFBARN COCCn1c(=O)c2c(=O)c3ccccc3n(C)c2nc1-c1cccs1 ZINC000002435760 210398533 /nfs/dbraw/zinc/39/85/33/210398533.db2.gz QMFWGABCPBLJKX-UHFFFAOYSA-N 0 0 367.430 2.623 50 5 FFBARN CCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000010256133 210347219 /nfs/dbraw/zinc/34/72/19/210347219.db2.gz XURUAVUHBHPUTH-DVESRUBUSA-N 0 0 365.389 2.702 50 5 FFBARN Cc1c(Br)c([N+](=O)[O-])nn1[C@@H](C)C(=O)N1CCCCCC1 ZINC000001070716 210312717 /nfs/dbraw/zinc/31/27/17/210312717.db2.gz KYOCEIQLAGTRRD-JTQLQIEISA-N 0 0 359.224 2.826 50 5 FFBARN O=C(NC1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 ZINC000001044209 210307971 /nfs/dbraw/zinc/30/79/71/210307971.db2.gz NUWIEYLKIGKZSB-UHFFFAOYSA-N 0 0 353.378 2.629 50 5 FFBARN COc1ccccc1NC(=S)NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000000881998 210285849 /nfs/dbraw/zinc/28/58/49/210285849.db2.gz QRCQLXNSLAKCFA-UHFFFAOYSA-N 0 0 361.379 2.739 50 5 FFBARN CCOC(=O)N1CCC(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000024470876 220449166 /nfs/dbraw/zinc/44/91/66/220449166.db2.gz XLKHIZCYZGAVAM-UHFFFAOYSA-N 0 0 355.778 2.599 50 5 FFBARN Cc1cccc(C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)c1[N+](=O)[O-] ZINC000025654365 220495582 /nfs/dbraw/zinc/49/55/82/220495582.db2.gz KFTAYNBSNKUKEA-UHFFFAOYSA-N 0 0 357.366 2.623 50 5 FFBARN COc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000055841001 221075028 /nfs/dbraw/zinc/07/50/28/221075028.db2.gz ZXPMBJLDSVLTQQ-UHFFFAOYSA-N 0 0 357.366 2.866 50 5 FFBARN O=C1N[C@@H](c2cc3c(cc2[N+](=O)[O-])OCCO3)Nc2ccc(Cl)cc21 ZINC000067965053 221309334 /nfs/dbraw/zinc/30/93/34/221309334.db2.gz VFFQQHZPSCWYLN-HNNXBMFYSA-N 0 0 361.741 2.874 50 5 FFBARN O=[N+]([O-])c1ccc(N2CCC[C@@H](Cn3cncn3)C2)c(OC(F)F)c1 ZINC000096003763 132217104 /nfs/dbraw/zinc/21/71/04/132217104.db2.gz OSBOBMORJYTUKZ-LLVKDONJSA-N 0 0 353.329 2.704 50 5 FFBARN CC(=O)c1ccc(N2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000001054623 132252390 /nfs/dbraw/zinc/25/23/90/132252390.db2.gz ZGPOITSNDNMJTD-UHFFFAOYSA-N 0 0 367.405 2.689 50 5 FFBARN CCOc1ccccc1N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000000994809 132379404 /nfs/dbraw/zinc/37/94/04/132379404.db2.gz UAFPQVIVIAPOCE-UHFFFAOYSA-N 0 0 355.394 2.956 50 5 FFBARN COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1OC ZINC000003879291 132385914 /nfs/dbraw/zinc/38/59/14/132385914.db2.gz STQYRPAUAWNWLB-UHFFFAOYSA-N 0 0 371.393 2.574 50 5 FFBARN C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2ccccc2)CC1 ZINC000004750299 132824561 /nfs/dbraw/zinc/82/45/61/132824561.db2.gz XXJSKDGDYGAJDD-OAHLLOKOSA-N 0 0 355.394 2.711 50 5 FFBARN Cc1cc(C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)on1 ZINC000018043090 132885598 /nfs/dbraw/zinc/88/55/98/132885598.db2.gz SRNNXNFZAOJHGJ-UHFFFAOYSA-N 0 0 350.762 2.507 50 5 FFBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)C1=NN(c2ccccc2)C(=O)CC1 ZINC000024068443 132910394 /nfs/dbraw/zinc/91/03/94/132910394.db2.gz JIZXICPKOHKGMY-UHFFFAOYSA-N 0 0 356.313 2.855 50 5 FFBARN CC(C)C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 ZINC000004125315 136151764 /nfs/dbraw/zinc/15/17/64/136151764.db2.gz BAHIDTAWPMECKG-UHFFFAOYSA-N 0 0 360.458 2.890 50 5 FFBARN Cc1cc(C)n(-c2cc(N3CCN(C(=O)C(C)C)CC3)ccc2[N+](=O)[O-])n1 ZINC000004138178 136151765 /nfs/dbraw/zinc/15/17/65/136151765.db2.gz RFUUELPADMJWJP-UHFFFAOYSA-N 0 0 371.441 2.702 50 5 FFBARN CCOC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(C2CCCC2)c1=N ZINC000100627852 222248406 /nfs/dbraw/zinc/24/84/06/222248406.db2.gz BANGRHOAXNTBCA-UHFFFAOYSA-N 0 0 366.421 2.729 50 5 FFBARN COc1ccc(C2=Nc3nnnn3[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000101113355 222262030 /nfs/dbraw/zinc/26/20/30/222262030.db2.gz UZJQBHVQYUFLJL-MRXNPFEDSA-N 0 0 350.338 2.646 50 5 FFBARN C[C@H](Cn1cc(Br)cn1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000002794343 506293346 /nfs/dbraw/zinc/29/33/46/506293346.db2.gz DVDPFIUSOUWDJF-MRVPVSSYSA-N 0 0 371.166 2.968 50 5 FFBARN COc1ccc(C(=O)NC(=S)Nc2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000002982121 506305427 /nfs/dbraw/zinc/30/54/27/506305427.db2.gz HYTIFPXKHMPIKD-UHFFFAOYSA-N 0 0 374.422 2.796 50 5 FFBARN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCc1ccc(Cl)cc1 ZINC000003479989 506335008 /nfs/dbraw/zinc/33/50/08/506335008.db2.gz KUJQCOJWDBXPOY-UHFFFAOYSA-N 0 0 361.785 2.685 50 5 FFBARN COc1cc(OC)cc(C(=O)NC(=S)Nc2ccccc2[N+](=O)[O-])c1 ZINC000004090909 506359179 /nfs/dbraw/zinc/35/91/79/506359179.db2.gz HEHAJNQVBZSNFZ-UHFFFAOYSA-N 0 0 361.379 2.739 50 5 FFBARN CC(=O)Nc1cccc(OCCCNC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000004321582 506371763 /nfs/dbraw/zinc/37/17/63/506371763.db2.gz IFPRHISSEVLKHB-UHFFFAOYSA-N 0 0 357.366 2.752 50 5 FFBARN COc1ccc(Nc2cc(C)nc(-n3cc([N+](=O)[O-])cn3)n2)c(OC)c1 ZINC000004331227 506373712 /nfs/dbraw/zinc/37/37/12/506373712.db2.gz CEUGQUOCWYTVKP-UHFFFAOYSA-N 0 0 356.342 2.640 50 5 FFBARN CCCCOC(=O)C1C(C)=Nc2ncnn2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000004598017 506385143 /nfs/dbraw/zinc/38/51/43/506385143.db2.gz XXRODLHIWLMQOX-HNNXBMFYSA-N 0 0 357.370 2.819 50 5 FFBARN CC(=O)OCCCNc1cc(SC(C)C)c2nonc2c1[N+](=O)[O-] ZINC000004677063 506387842 /nfs/dbraw/zinc/38/78/42/506387842.db2.gz QDFVTWXWAOOYCL-UHFFFAOYSA-N 0 0 354.388 2.997 50 5 FFBARN COc1ccc(-n2nc([N+](=O)[O-])c(NCCC3=CCCCC3)[n+]2[O-])cc1 ZINC000004813785 506396560 /nfs/dbraw/zinc/39/65/60/506396560.db2.gz VJNCCYQQDJEHCF-UHFFFAOYSA-N 0 0 359.386 2.725 50 5 FFBARN O=C(c1cccc(F)c1)N1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000036397106 506405929 /nfs/dbraw/zinc/40/59/29/506405929.db2.gz RKDRNMNBDMFXQG-UHFFFAOYSA-N 0 0 373.384 2.571 50 5 FFBARN COc1ccc(OC)c(Nc2nc(N)c([N+](=O)[O-])c(N3CCCCC3)n2)c1 ZINC000005025523 506416020 /nfs/dbraw/zinc/41/60/20/506416020.db2.gz HYGZRQCVAOIELA-UHFFFAOYSA-N 0 0 374.401 2.718 50 5 FFBARN CCOc1ccc(Nc2nc(N)c([N+](=O)[O-])c(NC[C@H]3CCCO3)n2)cc1 ZINC000005156257 506425701 /nfs/dbraw/zinc/42/57/01/506425701.db2.gz JDDJTSKADSLOJO-CYBMUJFWSA-N 0 0 374.401 2.700 50 5 FFBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000005193203 506427697 /nfs/dbraw/zinc/42/76/97/506427697.db2.gz PXSALUOJKXDDBG-UHFFFAOYSA-N 0 0 369.333 2.509 50 5 FFBARN O=c1[nH]c(=O)c2ccc3c(=O)n4c5ccc(Cl)cc5nc4c4ccc1c2c43 ZINC000005236081 506430795 /nfs/dbraw/zinc/43/07/95/506430795.db2.gz HOAYRMINLQLMQP-UHFFFAOYSA-N 0 0 373.755 2.885 50 5 FFBARN COc1ccc(N2C(=S)N=NC2[C@@H](C)n2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000005425136 506441169 /nfs/dbraw/zinc/44/11/69/506441169.db2.gz PFWAGGOPWGRCFP-LLVKDONJSA-N 0 0 374.426 2.895 50 5 FFBARN O=C(CSc1n[nH]c(-c2ccncc2)n1)Nc1cccc([N+](=O)[O-])c1 ZINC000005532732 506447335 /nfs/dbraw/zinc/44/73/35/506447335.db2.gz GMFNPSLGYLKBLK-UHFFFAOYSA-N 0 0 356.367 2.506 50 5 FFBARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000005578889 506450495 /nfs/dbraw/zinc/45/04/95/506450495.db2.gz JGTSZIGTNBSIDY-UHFFFAOYSA-N 0 0 374.349 2.959 50 5 FFBARN O=C(COc1cccnc1[N+](=O)[O-])N1CCC(Cc2ccccc2)CC1 ZINC000005688723 506452439 /nfs/dbraw/zinc/45/24/39/506452439.db2.gz YKYOAIUBJPNMBR-UHFFFAOYSA-N 0 0 355.394 2.850 50 5 FFBARN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCOc1cccc2c1OC(C)(C)C2 ZINC000040074734 506462795 /nfs/dbraw/zinc/46/27/95/506462795.db2.gz UVBCJBACZYNCMY-UHFFFAOYSA-N 0 0 371.393 2.821 50 5 FFBARN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCc2ccccc21 ZINC000006231906 506473181 /nfs/dbraw/zinc/47/31/81/506473181.db2.gz JANOUNNGYZQEKN-GOSISDBHSA-N 0 0 367.405 2.909 50 5 FFBARN Cc1ccc(C)c(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2NCCO)c1 ZINC000006465297 506484805 /nfs/dbraw/zinc/48/48/05/506484805.db2.gz MYKFXDBIHNIJAK-UHFFFAOYSA-N 0 0 372.377 2.656 50 5 FFBARN O=C(OCc1nnc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CC1(Cl)Cl ZINC000007985766 506609728 /nfs/dbraw/zinc/60/97/28/506609728.db2.gz UUZQEJJBOIPIFG-VIFPVBQESA-N 0 0 358.137 2.882 50 5 FFBARN C[C@@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000008033818 506615810 /nfs/dbraw/zinc/61/58/10/506615810.db2.gz IYGQXDAUGHOYIM-LLVKDONJSA-N 0 0 361.785 2.855 50 5 FFBARN CCN1C[C@@H](CN(C)C(=O)c2ccc(N)c([N+](=O)[O-])c2)Oc2ccccc21 ZINC000009117716 506682796 /nfs/dbraw/zinc/68/27/96/506682796.db2.gz ZDBRJUPIVAJRIY-CQSZACIVSA-N 0 0 370.409 2.537 50 5 FFBARN COc1ccccc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nccn1C ZINC000009319056 506690262 /nfs/dbraw/zinc/69/02/62/506690262.db2.gz CZXDJCAODQHRPD-QGZVFWFLSA-N 0 0 366.377 2.856 50 5 FFBARN Cc1ccc(Nc2nc(N)c([N+](=O)[O-])c(N3C[C@H](C)O[C@@H](C)C3)n2)cc1C ZINC000009328245 506691118 /nfs/dbraw/zinc/69/11/18/506691118.db2.gz QDFXUIOFXRZTGV-STQMWFEESA-N 0 0 372.429 2.941 50 5 FFBARN O=[N+]([O-])c1cc(-c2noc(-c3cccnc3)n2)ccc1N1CCOCC1 ZINC000009669027 506707153 /nfs/dbraw/zinc/70/71/53/506707153.db2.gz JVDFTKIHDVMVNH-UHFFFAOYSA-N 0 0 353.338 2.543 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1ccsc1 ZINC000009751786 506711004 /nfs/dbraw/zinc/71/10/04/506711004.db2.gz SGNBZELJUKHLJB-VIFPVBQESA-N 0 0 350.352 2.849 50 5 FFBARN COc1ccc(CN(C)C(=O)COc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000009882298 506715706 /nfs/dbraw/zinc/71/57/06/506715706.db2.gz OJEPNNHQEHONOE-UHFFFAOYSA-N 0 0 360.366 2.649 50 5 FFBARN CSc1cc(C(=O)Cn2nc(C)c([N+](=O)[O-])c2C)ccc1NC(C)=O ZINC000043241985 506719965 /nfs/dbraw/zinc/71/99/65/506719965.db2.gz IDCCZCSHBKRDJW-UHFFFAOYSA-N 0 0 362.411 2.971 50 5 FFBARN C[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000010643216 506749951 /nfs/dbraw/zinc/74/99/51/506749951.db2.gz CBOKUTJNFQEMMN-SNVBAGLBSA-N 0 0 364.379 2.900 50 5 FFBARN CC(=O)c1ccc(NC(=O)COC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000012380143 506855951 /nfs/dbraw/zinc/85/59/51/506855951.db2.gz IYEIXPMOAACOGH-NYYWCZLTSA-N 0 0 368.345 2.993 50 5 FFBARN COc1ccc(NC(=O)CNc2ccc(C)c(NC(C)=O)c2)c([N+](=O)[O-])c1 ZINC000055859837 506870096 /nfs/dbraw/zinc/87/00/96/506870096.db2.gz RRWSGJDVAVGEEU-UHFFFAOYSA-N 0 0 372.381 2.921 50 5 FFBARN CC(=O)N1CCc2cc(NC(=O)COc3ccccc3[N+](=O)[O-])ccc21 ZINC000012772770 506899704 /nfs/dbraw/zinc/89/97/04/506899704.db2.gz FELWBKAZUOCRTF-UHFFFAOYSA-N 0 0 355.350 2.521 50 5 FFBARN CCN(Cc1cccc(F)c1)C(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000057637838 507297871 /nfs/dbraw/zinc/29/78/71/507297871.db2.gz SWPWUUBGCGGTOG-CYBMUJFWSA-N 0 0 373.384 2.901 50 5 FFBARN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)Cc1ccc(Br)s1 ZINC000058139337 507375173 /nfs/dbraw/zinc/37/51/73/507375173.db2.gz NOVPMLYUAYLSLB-UHFFFAOYSA-N 0 0 373.232 2.582 50 5 FFBARN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CN1CC=C(c2ccccc2)CC1 ZINC000025718987 507526504 /nfs/dbraw/zinc/52/65/04/507526504.db2.gz ITIUPXXGHIVDQA-UHFFFAOYSA-N 0 0 363.373 2.938 50 5 FFBARN CCN(c1ccc(F)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000030497197 507809440 /nfs/dbraw/zinc/80/94/40/507809440.db2.gz USHJWBHWQMUDHH-UHFFFAOYSA-N 0 0 354.359 2.958 50 5 FFBARN O=C(CCOc1ccc([N+](=O)[O-])cc1)NCc1cnn(-c2ccccc2)c1 ZINC000031537257 507819975 /nfs/dbraw/zinc/81/99/75/507819975.db2.gz LUCNNAIYOZBTNO-UHFFFAOYSA-N 0 0 366.377 2.866 50 5 FFBARN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)Cn1cnc([N+](=O)[O-])c1 ZINC000031804698 507821719 /nfs/dbraw/zinc/82/17/19/507821719.db2.gz YSWDQXCROMGSPB-UHFFFAOYSA-N 0 0 354.370 2.541 50 5 FFBARN C[C@]1(c2cccnc2)NC(=O)N(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1=O ZINC000079107333 507933911 /nfs/dbraw/zinc/93/39/11/507933911.db2.gz QTFLHBBJVOPIDW-MRXNPFEDSA-N 0 0 360.757 2.610 50 5 FFBARN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1NC(=O)OC(C)(C)C ZINC000170614768 509681745 /nfs/dbraw/zinc/68/17/45/509681745.db2.gz GYHCJHVMWUHBGW-VHSXEESVSA-N 0 0 355.416 2.642 50 5 FFBARN C[C@@H]1CCCN(C(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000019829789 524194516 /nfs/dbraw/zinc/19/45/16/524194516.db2.gz GCUKHTDZLPLLRI-LLVKDONJSA-N 0 0 362.411 2.995 50 5 FFBARN Cc1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)o1 ZINC000049931298 570966532 /nfs/dbraw/zinc/96/65/32/570966532.db2.gz BDHLNCCDTZPFAN-UHFFFAOYSA-N 0 0 359.382 2.605 50 5 FFBARN O=C(NN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c32)C1=O)c1ccccc1 ZINC000000805777 219323504 /nfs/dbraw/zinc/32/35/04/219323504.db2.gz PZAVAWKGSISMRG-UHFFFAOYSA-N 0 0 361.313 2.689 50 5 FFBARN CN1C(=O)c2ccccc2Sc2cc([N+](=O)[O-])ccc2S1(=O)=O ZINC000001044312 219357339 /nfs/dbraw/zinc/35/73/39/219357339.db2.gz KAAIQWKJMYDEPA-UHFFFAOYSA-N 0 0 350.377 2.520 50 5 FFBARN Cc1ccc(-c2cn(S(=O)(=O)c3cccc([N+](=O)[O-])c3)nc2N)cc1 ZINC000001067533 219362752 /nfs/dbraw/zinc/36/27/52/219362752.db2.gz WKBGLKXXAOQOFG-UHFFFAOYSA-N 0 0 358.379 2.586 50 5 FFBARN COc1ccc(C=O)cc1Cn1nc([N+](=O)[O-])c(Br)c1C ZINC000001088624 219367092 /nfs/dbraw/zinc/36/70/92/219367092.db2.gz HLUMMWOBUTUHOW-UHFFFAOYSA-N 0 0 354.160 2.732 50 5 FFBARN CC(C)[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O ZINC000001135050 219377717 /nfs/dbraw/zinc/37/77/17/219377717.db2.gz PXZWHUIBYSXGBD-MRXNPFEDSA-N 0 0 367.361 2.854 50 5 FFBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000001134465 219378393 /nfs/dbraw/zinc/37/83/93/219378393.db2.gz HVUMUAKEOOJCRB-UHFFFAOYSA-N 0 0 359.426 2.850 50 5 FFBARN Cc1ccc(C)c(NC(=O)[C@H](C)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 ZINC000001151299 219381573 /nfs/dbraw/zinc/38/15/73/219381573.db2.gz DLUDDBQXJIEHFI-LBPRGKRZSA-N 0 0 367.361 2.835 50 5 FFBARN O=C(COC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(Br)cc1 ZINC000001188770 219387637 /nfs/dbraw/zinc/38/76/37/219387637.db2.gz CSIFBJSKOCUZTO-UHFFFAOYSA-N 0 0 354.112 2.990 50 5 FFBARN COc1cccc(-c2n[nH]c3c2[C@H](c2ccc([N+](=O)[O-])cc2)NC3=O)c1 ZINC000001404805 219403142 /nfs/dbraw/zinc/40/31/42/219403142.db2.gz LUPIEKFEDTVFTP-HNNXBMFYSA-N 0 0 350.334 2.826 50 5 FFBARN COCCn1cnc2c(c3nc4ccccc4nc3n2-c2ccccc2)c1=O ZINC000002302985 219436752 /nfs/dbraw/zinc/43/67/52/219436752.db2.gz NIVHDRKQTGZRCO-UHFFFAOYSA-N 0 0 371.400 2.930 50 5 FFBARN C[C@@H](Cn1cc([N+](=O)[O-])cn1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000002793589 219465562 /nfs/dbraw/zinc/46/55/62/219465562.db2.gz FDOFMVIIBPEJIH-YFKPBYRVSA-N 0 0 364.230 2.762 50 5 FFBARN O=C(COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])N1CCc2ccccc21 ZINC000003248055 219495237 /nfs/dbraw/zinc/49/52/37/219495237.db2.gz HMIIPVQKCHWTJT-UHFFFAOYSA-N 0 0 360.753 2.994 50 5 FFBARN CN(C)/[S@@](=N\S(=O)(=O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000004531383 219584433 /nfs/dbraw/zinc/58/44/33/219584433.db2.gz ZRQYBSVXJKCNGY-QFIPXVFZSA-N 0 0 353.425 2.621 50 5 FFBARN Cc1ccc(OCC(=O)N[C@@H](C)c2ccc(F)cc2F)c([N+](=O)[O-])n1 ZINC000004891731 219620407 /nfs/dbraw/zinc/62/04/07/219620407.db2.gz CUFULODRDMTMSL-JTQLQIEISA-N 0 0 351.309 2.833 50 5 FFBARN CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2)NC(=O)N1 ZINC000005523341 219686639 /nfs/dbraw/zinc/68/66/39/219686639.db2.gz KUCCOBNDXNQYHW-INIZCTEOSA-N 0 0 352.350 2.861 50 5 FFBARN O=C(COc1cc(F)ccc1[N+](=O)[O-])Nc1ccc(N2CCCC2=O)cc1 ZINC000006991245 219786193 /nfs/dbraw/zinc/78/61/93/219786193.db2.gz GECNVBJJVXRWFV-UHFFFAOYSA-N 0 0 373.340 2.878 50 5 FFBARN Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2N)cc1F ZINC000007206877 219794960 /nfs/dbraw/zinc/79/49/60/219794960.db2.gz VWASLTIPHQXGQI-JTQLQIEISA-N 0 0 361.329 2.809 50 5 FFBARN CC(=O)N1N=C(c2c(C)nc3ccccn32)O[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000012966840 220045997 /nfs/dbraw/zinc/04/59/97/220045997.db2.gz BYEMPVFEQRWDEO-SFHVURJKSA-N 0 0 365.349 2.790 50 5 FFBARN CC(=O)N1CCc2cc(NC(=O)COc3ccc([N+](=O)[O-])c(C)c3)ccc21 ZINC000012973226 220047569 /nfs/dbraw/zinc/04/75/69/220047569.db2.gz ZEGHVAQLRHGUFQ-UHFFFAOYSA-N 0 0 369.377 2.830 50 5 FFBARN C[C@H]1Cc2ccccc2N1C(=O)COc1ncnc2cc([N+](=O)[O-])ccc21 ZINC000013778621 220094647 /nfs/dbraw/zinc/09/46/47/220094647.db2.gz RBCAWXOIKOQVAI-LBPRGKRZSA-N 0 0 364.361 2.895 50 5 FFBARN O=c1ccc([N+](=O)[O-])cn1Cc1csc(COc2ccc(F)cc2)n1 ZINC000014901922 220134900 /nfs/dbraw/zinc/13/49/00/220134900.db2.gz SMYIWOBEBAIKOS-UHFFFAOYSA-N 0 0 361.354 2.979 50 5 FFBARN O=C1NC(=S)NC1=Cc1ccccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000015220082 220149824 /nfs/dbraw/zinc/14/98/24/220149824.db2.gz JXQBSAJWWSYQLE-ZROIWOOFSA-N 0 0 355.375 2.519 50 5 FFBARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc([N+](=O)[O-])o1 ZINC000019802124 220298286 /nfs/dbraw/zinc/29/82/86/220298286.db2.gz VTLVRMDPKYYQLS-UHFFFAOYSA-N 0 0 364.354 2.549 50 5 FFBARN COc1ccc([C@@H]2OC(c3cccc([N+](=O)[O-])c3)=NN2C(C)=O)cc1OC ZINC000021091788 220350562 /nfs/dbraw/zinc/35/05/62/220350562.db2.gz VWNROBOBYWLCIY-SFHVURJKSA-N 0 0 371.349 2.851 50 5 FFBARN C[C@@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])n1cnc2ccccc21 ZINC000032914261 220698911 /nfs/dbraw/zinc/69/89/11/220698911.db2.gz NEWCKTGXVGNKLO-ZDUSSCGKSA-N 0 0 353.382 2.734 50 5 FFBARN COc1ccc(C)cc1NC(=O)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000054919584 221056515 /nfs/dbraw/zinc/05/65/15/221056515.db2.gz LUNWGTAVKCSIJV-UHFFFAOYSA-N 0 0 369.175 2.510 50 5 FFBARN O=C(N[C@@H]1C[C@H]1c1cccc(F)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000067092485 221247275 /nfs/dbraw/zinc/24/72/75/221247275.db2.gz ZKAHCVKFLOWEGX-GXTWGEPZSA-N 0 0 358.325 2.791 50 5 FFBARN O=C(NCCc1ccccn1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000009367873 132846236 /nfs/dbraw/zinc/84/62/36/132846236.db2.gz VNZAZYCCRMPCMZ-UHFFFAOYSA-N 0 0 354.410 2.565 50 5 FFBARN O=C(C1CCN(c2ncccc2[N+](=O)[O-])CC1)N1CCc2ccccc2C1 ZINC000030859176 132922105 /nfs/dbraw/zinc/92/21/05/132922105.db2.gz WNZWVDITEHCSEY-UHFFFAOYSA-N 0 0 366.421 2.791 50 5 FFBARN Cc1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H](C)C2=O)cc1F ZINC000037520830 132942601 /nfs/dbraw/zinc/94/26/01/132942601.db2.gz GGPCYFLHQXMQBX-ZDUSSCGKSA-N 0 0 371.368 2.920 50 5 FFBARN Cc1cc(C)nc(N2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)n1 ZINC000097166115 222166472 /nfs/dbraw/zinc/16/64/72/222166472.db2.gz FOAJVHXJEWUTED-UHFFFAOYSA-N 0 0 367.413 2.595 50 5 FFBARN Cc1ccccc1-c1nnc2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n21 ZINC000004501504 263333865 /nfs/dbraw/zinc/33/38/65/263333865.db2.gz HCUMOOYUARLAOX-XNTDXEJSSA-N 0 0 364.386 2.582 50 5 FFBARN C[C@@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000007304069 263350221 /nfs/dbraw/zinc/35/02/21/263350221.db2.gz SPCQQWJKQKZAPB-GFCCVEGCSA-N 0 0 359.357 2.731 50 5 FFBARN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)[C@@H]1CCc2ccccc21 ZINC000058412590 263415969 /nfs/dbraw/zinc/41/59/69/263415969.db2.gz KAFWQVMBCYOQJE-FZKQIMNGSA-N 0 0 367.405 2.859 50 5 FFBARN CCCNC(=O)c1cccc(Cn2cc(Br)c([N+](=O)[O-])n2)c1 ZINC000002102279 506272758 /nfs/dbraw/zinc/27/27/58/506272758.db2.gz NIYIDGPBRKIGMD-UHFFFAOYSA-N 0 0 367.203 2.742 50 5 FFBARN O=c1c([N+](=O)[O-])c(NCc2ncc(-c3ccccc3)o2)nc2ccccn21 ZINC000032911802 506311081 /nfs/dbraw/zinc/31/10/81/506311081.db2.gz ASMUURAPQBFJJD-UHFFFAOYSA-N 0 0 363.333 2.870 50 5 FFBARN CCCNC(=O)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=O ZINC000003138259 506311300 /nfs/dbraw/zinc/31/13/00/506311300.db2.gz QPUUQDFDMFDQNG-UHFFFAOYSA-N 0 0 355.306 2.854 50 5 FFBARN O=c1[nH]c(=O)c2c([nH]1)OC(c1ccccc1)=C[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000003166491 506311847 /nfs/dbraw/zinc/31/18/47/506311847.db2.gz ZNNDXCMITIUCOL-AWEZNQCLSA-N 0 0 363.329 2.949 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1ccc2c(c1)OCO2 ZINC000003385737 506326259 /nfs/dbraw/zinc/32/62/59/506326259.db2.gz DEHPEAZJRPMAHS-JTQLQIEISA-N 0 0 359.338 2.771 50 5 FFBARN COc1ccc(C(=O)NC[C@H](C)N2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000033055400 506329915 /nfs/dbraw/zinc/32/99/15/506329915.db2.gz HSVKWHHSLFHOIM-ZDUSSCGKSA-N 0 0 355.394 2.784 50 5 FFBARN NC(=O)CSc1nnc(Sc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000003425378 506330830 /nfs/dbraw/zinc/33/08/30/506330830.db2.gz YBDNYYHJYIWWFI-UHFFFAOYSA-N 0 0 362.845 2.828 50 5 FFBARN O=C(COc1cccnc1[N+](=O)[O-])Nc1ccc(Br)cc1F ZINC000003450319 506331926 /nfs/dbraw/zinc/33/19/26/506331926.db2.gz NBBSAUMSDKIXRO-UHFFFAOYSA-N 0 0 370.134 2.909 50 5 FFBARN Cc1cc(C(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c(C)n1C1CC1 ZINC000003461083 506334138 /nfs/dbraw/zinc/33/41/38/506334138.db2.gz YCTXTOUMOFNXPB-UHFFFAOYSA-N 0 0 367.361 2.827 50 5 FFBARN CC(C)[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C(=O)c2ccccc2C1=O ZINC000004159295 506362018 /nfs/dbraw/zinc/36/20/18/506362018.db2.gz FSHWKQUBLNVXSS-INIZCTEOSA-N 0 0 367.361 2.854 50 5 FFBARN O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000004351855 506372879 /nfs/dbraw/zinc/37/28/79/506372879.db2.gz RYKYZXNSQRDMAI-UHFFFAOYSA-N 0 0 354.318 2.605 50 5 FFBARN CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2=O)cc1 ZINC000005028137 506415550 /nfs/dbraw/zinc/41/55/50/506415550.db2.gz UKCLBBXGBLYMRR-ZDUSSCGKSA-N 0 0 369.377 2.985 50 5 FFBARN O=C(Cn1cnc([N+](=O)[O-])c1[N+](=O)[O-])Nc1ccc(Cl)cc1Cl ZINC000005125730 506424507 /nfs/dbraw/zinc/42/45/07/506424507.db2.gz CSSXMNRARWFYIA-UHFFFAOYSA-N 0 0 360.113 2.645 50 5 FFBARN CCS(=O)(=O)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000005241836 506430585 /nfs/dbraw/zinc/43/05/85/506430585.db2.gz WRHQCSJFMMGFCR-UHFFFAOYSA-N 0 0 364.379 2.649 50 5 FFBARN O=C(Cn1nc(-c2cccs2)ccc1=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000005388080 506438610 /nfs/dbraw/zinc/43/86/10/506438610.db2.gz UEUDPTYLPAVYND-UHFFFAOYSA-N 0 0 356.363 2.519 50 5 FFBARN O=C(Cn1nc(-c2ccccc2)ccc1=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000005388291 506439917 /nfs/dbraw/zinc/43/99/17/506439917.db2.gz NCQKDIFGQWYCKY-UHFFFAOYSA-N 0 0 368.324 2.596 50 5 FFBARN CC1(C)OC(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@@H]32)C(=O)O1 ZINC000005515967 506445536 /nfs/dbraw/zinc/44/55/36/506445536.db2.gz XDJPVSBZBVEMJZ-OAHLLOKOSA-N 0 0 374.393 2.722 50 5 FFBARN O=C(COC(=O)c1n[nH]c2ccccc21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000005560495 506448443 /nfs/dbraw/zinc/44/84/43/506448443.db2.gz DXMQNYDKFALNOH-UHFFFAOYSA-N 0 0 374.740 2.920 50 5 FFBARN Cc1c(CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)cccc1[N+](=O)[O-] ZINC000040116447 506467754 /nfs/dbraw/zinc/46/77/54/506467754.db2.gz MEILLDTXXUMGHS-LJQANCHMSA-N 0 0 367.361 2.633 50 5 FFBARN O=C(Cn1nnc(-c2ccccc2)n1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000006566198 506489161 /nfs/dbraw/zinc/48/91/61/506489161.db2.gz NCKHHGMXYQHHEM-UHFFFAOYSA-N 0 0 358.745 2.540 50 5 FFBARN Cc1ccc(F)cc1NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000006787034 506506569 /nfs/dbraw/zinc/50/65/69/506506569.db2.gz VHSMDQSJWBMNBU-UHFFFAOYSA-N 0 0 363.370 2.872 50 5 FFBARN O=c1[nH]c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nc2ccccc21 ZINC000006909566 506515782 /nfs/dbraw/zinc/51/57/82/506515782.db2.gz PRMACPRXDDNUQL-UHFFFAOYSA-N 0 0 371.374 2.990 50 5 FFBARN COC(=O)c1cc(C(=O)N[C@H]2CCOc3ccccc32)cc([N+](=O)[O-])c1 ZINC000007215176 506543750 /nfs/dbraw/zinc/54/37/50/506543750.db2.gz KFTJXGCKTDVWDO-HNNXBMFYSA-N 0 0 356.334 2.635 50 5 FFBARN COCCNC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1 ZINC000007738235 506585707 /nfs/dbraw/zinc/58/57/07/506585707.db2.gz TVTOHLYVSFPDEV-NTCAYCPXSA-N 0 0 366.377 2.774 50 5 FFBARN COc1cccc(CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c1 ZINC000009156689 506686002 /nfs/dbraw/zinc/68/60/02/506686002.db2.gz XDOXAXOYSOHGQJ-UHFFFAOYSA-N 0 0 352.350 2.719 50 5 FFBARN Cc1nc2ccccn2c(=O)c1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000010608677 506748484 /nfs/dbraw/zinc/74/84/84/506748484.db2.gz GBSGFJILSZQLHB-UHFFFAOYSA-N 0 0 358.741 2.817 50 5 FFBARN O=C(NC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000010779026 506753151 /nfs/dbraw/zinc/75/31/51/506753151.db2.gz QLBKPORNCWIFKV-UHFFFAOYSA-N 0 0 353.378 2.629 50 5 FFBARN COc1cc(CCNC(=O)CCc2ccccc2O)c([N+](=O)[O-])cc1OC ZINC000011081577 506764543 /nfs/dbraw/zinc/76/45/43/506764543.db2.gz SSQNKOKPPMHALS-UHFFFAOYSA-N 0 0 374.393 2.609 50 5 FFBARN Cc1ccc(OCCNC(=O)CCn2ncc3ccc([N+](=O)[O-])cc32)cc1 ZINC000044292468 506829593 /nfs/dbraw/zinc/82/95/93/506829593.db2.gz UZFQZZGEEJALLX-UHFFFAOYSA-N 0 0 368.393 2.838 50 5 FFBARN COc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccncc2)cc1[N+](=O)[O-] ZINC000024434519 507410981 /nfs/dbraw/zinc/41/09/81/507410981.db2.gz OXFKTUZQNIJSFE-AWEZNQCLSA-N 0 0 363.395 2.524 50 5 FFBARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccccc1[N+](=O)[O-] ZINC000024820901 507440588 /nfs/dbraw/zinc/44/05/88/507440588.db2.gz QVENDSXDCGCYLB-UHFFFAOYSA-N 0 0 371.393 2.827 50 5 FFBARN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)CCN3C(C)=O)c1 ZINC000060063803 507512541 /nfs/dbraw/zinc/51/25/41/507512541.db2.gz SKIKSXFHFXQJQL-UHFFFAOYSA-N 0 0 355.350 2.765 50 5 FFBARN COc1cc(OC)cc([C@@H](Nc2ncccc2[N+](=O)[O-])c2nccn2C)c1 ZINC000028620307 507731319 /nfs/dbraw/zinc/73/13/19/507731319.db2.gz AYHVBHLAEQJCMZ-MRXNPFEDSA-N 0 0 369.381 2.942 50 5 FFBARN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2ccc3c(c2)OCO3)c1 ZINC000031550298 507820182 /nfs/dbraw/zinc/82/01/82/507820182.db2.gz YVBANBYZRMLKTC-UHFFFAOYSA-N 0 0 358.350 2.717 50 5 FFBARN CC(=O)CC(C)(C)NC(=O)CCN(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000095469908 508187597 /nfs/dbraw/zinc/18/75/97/508187597.db2.gz ZORUYOXEFXEZTK-UHFFFAOYSA-N 0 0 369.849 2.944 50 5 FFBARN CN(CCn1cccn1)C(=O)Cn1c2ccccc2c2ccccc2c1=O ZINC000095525627 508195467 /nfs/dbraw/zinc/19/54/67/508195467.db2.gz SMCANRYFVPRZBU-UHFFFAOYSA-N 0 0 360.417 2.510 50 5 FFBARN O=C(NC1CC1)[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1Br ZINC000225505109 509374093 /nfs/dbraw/zinc/37/40/93/509374093.db2.gz PUZUKOAZBVKFQL-ZDUSSCGKSA-N 0 0 354.204 2.605 50 5 FFBARN O=c1c2nnc(-c3cccc([N+](=O)[O-])c3)n2ccn1-c1ccc(F)cc1 ZINC000225534292 509375448 /nfs/dbraw/zinc/37/54/48/509375448.db2.gz RICCXQQCZGMIRY-UHFFFAOYSA-N 0 0 351.297 2.595 50 5 FFBARN CN(C)c1nc(Nc2ccc([N+](=O)[O-])cc2)nc(OCC(F)(F)F)n1 ZINC000003877358 727777522 /nfs/dbraw/zinc/77/75/22/727777522.db2.gz NPFSWQWYKLHWPI-UHFFFAOYSA-N 0 0 358.280 2.531 50 5 FFBARN COc1ccc(Oc2ccc(/C=C3/NC(=S)NC3=O)cc2[N+](=O)[O-])cc1 ZINC000102988473 977421488 /nfs/dbraw/zinc/42/14/88/977421488.db2.gz IPSZERRUGPVSQK-MDWZMJQESA-N 0 0 371.374 2.741 50 5 FFBARN COC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000001195064 1014454791 /nfs/dbraw/zinc/45/47/91/1014454791.db2.gz MOOQUSCZFFANCL-OAHLLOKOSA-N 0 0 373.390 2.821 50 5 FFBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC(N2CCCCC2=O)CC1 ZINC000089780786 1025778365 /nfs/dbraw/zinc/77/83/65/1025778365.db2.gz ZXCCOYOOYMYAQX-BQYQJAHWSA-N 0 0 357.410 2.612 50 5 FFBARN COc1cc([C@H]2NC(=O)CC[C@@H]2[N+](=O)[O-])ccc1OCc1ccccc1 ZINC000000815841 219325265 /nfs/dbraw/zinc/32/52/65/219325265.db2.gz ZCSAVJRPGZHZHC-HNAYVOBHSA-N 0 0 356.378 2.871 50 5 FFBARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000000805351 219323420 /nfs/dbraw/zinc/32/34/20/219323420.db2.gz SNGUEEWWFIOXRJ-UHFFFAOYSA-N 0 0 372.333 2.729 50 5 FFBARN COc1ccc(OC)c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)c1 ZINC000000851116 219330786 /nfs/dbraw/zinc/33/07/86/219330786.db2.gz NUUGPLCEWPBYGR-UHFFFAOYSA-N 0 0 370.317 2.971 50 5 FFBARN COc1ccc(CN2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)c(OC)c1 ZINC000000865094 219333372 /nfs/dbraw/zinc/33/33/72/219333372.db2.gz VUMYGOSIHKJNFT-UHFFFAOYSA-N 0 0 371.437 2.930 50 5 FFBARN CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000836905 219328863 /nfs/dbraw/zinc/32/88/63/219328863.db2.gz IHLBCCOGPJOUTI-UHFFFAOYSA-N 0 0 350.352 2.572 50 5 FFBARN COc1ccc(C(=O)NC(=S)Nc2cccc([N+](=O)[O-])c2)cc1OC ZINC000000881631 219335734 /nfs/dbraw/zinc/33/57/34/219335734.db2.gz HRBMPQMISYPVPD-UHFFFAOYSA-N 0 0 361.379 2.739 50 5 FFBARN CC1(C)c2ccccc2N(CC(N)=O)[C@]12C=Cc1cc([N+](=O)[O-])ccc1O2 ZINC000001097740 219368874 /nfs/dbraw/zinc/36/88/74/219368874.db2.gz XABQINSAZCFVGT-FQEVSTJZSA-N 0 0 365.389 2.980 50 5 FFBARN COC(=O)C1=CN(C(C)C)C=C(C(=O)OC)C1c1ccc(C)c([N+](=O)[O-])c1 ZINC000001123363 219373942 /nfs/dbraw/zinc/37/39/42/219373942.db2.gz HXQQQVWXCTZYPP-UHFFFAOYSA-N 0 0 374.393 2.825 50 5 FFBARN O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1ccc2c(c1)OCO2 ZINC000001230509 219391048 /nfs/dbraw/zinc/39/10/48/219391048.db2.gz OUYDNPSROZCRIG-UHFFFAOYSA-N 0 0 372.362 2.931 50 5 FFBARN COc1cc(C=O)ccc1OCCOCCOc1ccc([N+](=O)[O-])cc1 ZINC000002985279 219480839 /nfs/dbraw/zinc/48/08/39/219480839.db2.gz WLXYTYDSOKYZCZ-UHFFFAOYSA-N 0 0 361.350 2.890 50 5 FFBARN COc1cccc(CNC(=O)c2cccn3c(=O)c4ccccc4nc23)c1 ZINC000002957252 219478062 /nfs/dbraw/zinc/47/80/62/219478062.db2.gz PXAIUNKFJKQPHV-UHFFFAOYSA-N 0 0 359.385 2.786 50 5 FFBARN C[C@H](OC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003237427 219493855 /nfs/dbraw/zinc/49/38/55/219493855.db2.gz PJAOFMOGBOGEOF-JTQLQIEISA-N 0 0 358.306 2.508 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cccs1 ZINC000003247212 219495248 /nfs/dbraw/zinc/49/52/48/219495248.db2.gz RPQOZNUNJVDZQN-SECBINFHSA-N 0 0 350.352 2.849 50 5 FFBARN Cc1ccc(C(=O)OCCCn2c(=O)[nH]c3ccccc32)cc1[N+](=O)[O-] ZINC000003568287 219520200 /nfs/dbraw/zinc/52/02/00/219520200.db2.gz LDDJUIKCHZHKJO-UHFFFAOYSA-N 0 0 355.350 2.793 50 5 FFBARN CCCCCOC(=O)C1C(C)=Nc2nnnn2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000004878510 219618282 /nfs/dbraw/zinc/61/82/82/219618282.db2.gz CBMDBAWSGPOXKP-HNNXBMFYSA-N 0 0 372.385 2.604 50 5 FFBARN Cc1nn(CCC2N=NC(=S)N2c2ccc(F)cc2)c(C)c1[N+](=O)[O-] ZINC000005424959 219677309 /nfs/dbraw/zinc/67/73/09/219677309.db2.gz UTWNOXOOVFQNDD-UHFFFAOYSA-N 0 0 362.390 2.659 50 5 FFBARN Cn1c2cc3c(cc2s/c1=N/C(=O)c1ccc([N+](=O)[O-])cc1)OCCO3 ZINC000012080582 219951605 /nfs/dbraw/zinc/95/16/05/219951605.db2.gz MGJDANCIOVAILM-ISLYRVAYSA-N 0 0 371.374 2.660 50 5 FFBARN O=C(c1cccc([N+](=O)[O-])c1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000012584277 220009265 /nfs/dbraw/zinc/00/92/65/220009265.db2.gz XHODAKLIAAQHSD-UHFFFAOYSA-N 0 0 366.377 2.715 50 5 FFBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000012814014 220033068 /nfs/dbraw/zinc/03/30/68/220033068.db2.gz CTZKLYJQEMISRW-UHFFFAOYSA-N 0 0 367.361 2.805 50 5 FFBARN CCCCNC(=O)/C(=C\c1ccc([N+](=O)[O-])o1)NC(=O)c1ccccc1 ZINC000013124308 220059120 /nfs/dbraw/zinc/05/91/20/220059120.db2.gz ZRYDZTLWQUNUOL-NTCAYCPXSA-N 0 0 357.366 2.875 50 5 FFBARN O=C(COC(=O)c1ccc([N+](=O)[O-])o1)Nc1ccc(N2CCCC2)cc1 ZINC000015642472 220158343 /nfs/dbraw/zinc/15/83/43/220158343.db2.gz TTYYODRFAINJCV-UHFFFAOYSA-N 0 0 359.338 2.584 50 5 FFBARN CC(=O)c1cc2c(cc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)OCO2 ZINC000016321905 220182483 /nfs/dbraw/zinc/18/24/83/220182483.db2.gz RSKYQCKAKWEWIP-UHFFFAOYSA-N 0 0 373.277 2.687 50 5 FFBARN C[C@@H]1CC(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2S1(=O)=O ZINC000017244165 220211190 /nfs/dbraw/zinc/21/11/90/220211190.db2.gz IFEFDAMGVMCTAA-GFCCVEGCSA-N 0 0 360.391 2.694 50 5 FFBARN COCCNc1ccc(C(=O)N(C)Cc2ccccc2OC)cc1[N+](=O)[O-] ZINC000018076525 220222816 /nfs/dbraw/zinc/22/28/16/220222816.db2.gz HBODWEPSMLAWDB-UHFFFAOYSA-N 0 0 373.409 2.934 50 5 FFBARN CCN(Cc1c(C)nn(CC)c1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000020608167 220336799 /nfs/dbraw/zinc/33/67/99/220336799.db2.gz CPQRHFOKUKFTDA-UHFFFAOYSA-N 0 0 366.443 2.639 50 5 FFBARN COCCN1C(=O)c2[nH]nc(-c3ccco3)c2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000020728359 220338607 /nfs/dbraw/zinc/33/86/07/220338607.db2.gz KHYSDGCCUXHNPZ-QGZVFWFLSA-N 0 0 368.349 2.770 50 5 FFBARN O=C(Cc1csc(-c2ccco2)n1)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000025354252 220483062 /nfs/dbraw/zinc/48/30/62/220483062.db2.gz OWWIGJPHWDAIGX-AWEZNQCLSA-N 0 0 373.390 2.704 50 5 FFBARN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000027072681 220528810 /nfs/dbraw/zinc/52/88/10/220528810.db2.gz OMOGZUDGBWJOTM-OAHLLOKOSA-N 0 0 365.393 2.586 50 5 FFBARN C[C@@H](Cc1cccc(Cl)c1)Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000052280561 221038143 /nfs/dbraw/zinc/03/81/43/221038143.db2.gz GSDYBWIHURLKRZ-JTQLQIEISA-N 0 0 369.830 2.939 50 5 FFBARN CCN(C(=O)Cn1cc(Br)c([N+](=O)[O-])n1)c1ccccc1 ZINC000054919630 221056209 /nfs/dbraw/zinc/05/62/09/221056209.db2.gz HAVFIWFZEDDMMZ-UHFFFAOYSA-N 0 0 353.176 2.607 50 5 FFBARN O=[N+]([O-])c1nn(Cc2nc(Cc3ccccc3)no2)cc1Br ZINC000054919004 221056247 /nfs/dbraw/zinc/05/62/47/221056247.db2.gz VWUZYDMAOKVBRR-UHFFFAOYSA-N 0 0 364.159 2.576 50 5 FFBARN CCc1ccccc1NC(=O)CN(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000058202081 221106084 /nfs/dbraw/zinc/10/60/84/221106084.db2.gz PSEBWKCLAWJFCI-UHFFFAOYSA-N 0 0 374.372 2.589 50 5 FFBARN CNS(=O)(=O)c1ccc(N2CC3C[C@@H]4CC2C[C@H](C3)C4)c([N+](=O)[O-])c1 ZINC000065946856 221238117 /nfs/dbraw/zinc/23/81/17/221238117.db2.gz HCGVKMYAVBBWNC-VTXSZYRJSA-N 0 0 365.455 2.518 50 5 FFBARN O=C(NC1N=NC(=S)S1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000006547981 132258867 /nfs/dbraw/zinc/25/88/67/132258867.db2.gz XLFCVEFDVAITIP-UHFFFAOYSA-N 0 0 365.440 2.978 50 5 FFBARN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCN(c2ccccc2F)CC1 ZINC000003378750 132385268 /nfs/dbraw/zinc/38/52/68/132385268.db2.gz UAMPFYRAYMRDAW-UHFFFAOYSA-N 0 0 374.328 2.605 50 5 FFBARN O=C(c1ccc([N+](=O)[O-])cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000005129925 132826921 /nfs/dbraw/zinc/82/69/21/132826921.db2.gz FEMBIFRXUOMPNV-UHFFFAOYSA-N 0 0 357.322 2.571 50 5 FFBARN Cc1ccc(F)cc1NC(=O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000052537612 136124443 /nfs/dbraw/zinc/12/44/43/136124443.db2.gz IHDISYWBDMSBPC-UHFFFAOYSA-N 0 0 372.400 2.803 50 5 FFBARN O=C(Cc1ccc(F)cc1)NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000096290236 222111057 /nfs/dbraw/zinc/11/10/57/222111057.db2.gz BYOLIVJRRDYLDN-UHFFFAOYSA-N 0 0 356.313 2.643 50 5 FFBARN COc1ccc(C2=Nc3nnnn3[C@@H](c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000101087618 222261651 /nfs/dbraw/zinc/26/16/51/222261651.db2.gz DQJDCGNUPMGCGZ-MRXNPFEDSA-N 0 0 350.338 2.646 50 5 FFBARN CC1=C(C(=O)O[C@H]2CCC[C@H]2C)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 ZINC000004256031 263332073 /nfs/dbraw/zinc/33/20/73/263332073.db2.gz BQRURLIZQQYDGS-FUEDEBDSSA-N 0 0 359.382 2.955 50 5 FFBARN CN1C(=O)c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2C1=O ZINC000001004633 506243201 /nfs/dbraw/zinc/24/32/01/506243201.db2.gz VYRCZEDGKVOYMC-UHFFFAOYSA-N 0 0 359.725 2.726 50 5 FFBARN CC(=O)Oc1ccccc1/C=C1/N=C(c2cccc([N+](=O)[O-])c2)OC1=O ZINC000001041627 506246086 /nfs/dbraw/zinc/24/60/86/506246086.db2.gz IQOVOFWOBPQWQT-XNTDXEJSSA-N 0 0 352.302 2.865 50 5 FFBARN CCOC(=O)CSc1ncc(OC)c(Oc2cccc([N+](=O)[O-])c2)n1 ZINC000001388543 506260484 /nfs/dbraw/zinc/26/04/84/506260484.db2.gz YMQVOQRNZOIUCX-UHFFFAOYSA-N 0 0 365.367 2.841 50 5 FFBARN CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000001444842 506262176 /nfs/dbraw/zinc/26/21/76/506262176.db2.gz OBCUDWKLYZOFNW-CYBMUJFWSA-N 0 0 369.377 2.985 50 5 FFBARN COc1ccc(C(=O)c2ccccc2)c(Oc2nc([N+](=O)[O-])nn2C)c1 ZINC000001432498 506262276 /nfs/dbraw/zinc/26/22/76/506262276.db2.gz BOHXTROWWCXLSH-UHFFFAOYSA-N 0 0 354.322 2.755 50 5 FFBARN Cn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1cccnc1 ZINC000032579393 506266203 /nfs/dbraw/zinc/26/62/03/506266203.db2.gz BSXLBKUFYGFBHE-UHFFFAOYSA-N 0 0 355.379 2.760 50 5 FFBARN O=C(Nc1cccc2ccccc21)c1ccn(Cn2cc([N+](=O)[O-])cn2)n1 ZINC000002787912 506293556 /nfs/dbraw/zinc/29/35/56/506293556.db2.gz RAFRFWIMAJDURO-UHFFFAOYSA-N 0 0 362.349 2.899 50 5 FFBARN CCc1c(C)sc2ncn3nc(CCn4cc([N+](=O)[O-])cn4)nc3c12 ZINC000002809004 506294303 /nfs/dbraw/zinc/29/43/03/506294303.db2.gz UVHOZNGDKCFTJF-UHFFFAOYSA-N 0 0 357.399 2.557 50 5 FFBARN COc1ccc(CSCC(=O)Nc2nnc(C)s2)cc1[N+](=O)[O-] ZINC000032816030 506298238 /nfs/dbraw/zinc/29/82/38/506298238.db2.gz SEUDTDZONVCBPH-UHFFFAOYSA-N 0 0 354.413 2.635 50 5 FFBARN CNc1ccc(C(=O)N[C@H](CC(=O)OC)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000032821116 506300301 /nfs/dbraw/zinc/30/03/01/506300301.db2.gz ORLJBBGGWVETFB-MRXNPFEDSA-N 0 0 371.393 2.979 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cc(C)oc1C ZINC000003290455 506319116 /nfs/dbraw/zinc/31/91/16/506319116.db2.gz LYPPFSPOHLULTD-LLVKDONJSA-N 0 0 362.338 2.997 50 5 FFBARN C[C@H](Oc1ccc(Cl)cc1)C(=O)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000032999819 506322935 /nfs/dbraw/zinc/32/29/35/506322935.db2.gz RNRXZSOEXYIMOG-ZBEGNZNMSA-N 0 0 364.785 2.865 50 5 FFBARN Cn1nc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2c1=O ZINC000003342947 506324568 /nfs/dbraw/zinc/32/45/68/506324568.db2.gz AYJPGDDWCBYDCO-UHFFFAOYSA-N 0 0 358.741 2.747 50 5 FFBARN O=[N+]([O-])c1ccc(N2CCN(C/C=C/c3ccccc3)CC2)c2nonc21 ZINC000033014474 506324911 /nfs/dbraw/zinc/32/49/11/506324911.db2.gz UDRLTKXJBIYZKL-QPJJXVBHSA-N 0 0 365.393 2.966 50 5 FFBARN Cc1noc(C)c1[C@@H]1CCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000033086868 506333942 /nfs/dbraw/zinc/33/39/42/506333942.db2.gz VAEYXXSCLDTCQC-ZDUSSCGKSA-N 0 0 351.384 2.725 50 5 FFBARN COc1ccccc1-c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N ZINC000003600264 506345821 /nfs/dbraw/zinc/34/58/21/506345821.db2.gz DIMJFOPYXYWHGM-UHFFFAOYSA-N 0 0 357.395 2.868 50 5 FFBARN C[C@H]1CN(C(=S)SCC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000004289999 506369528 /nfs/dbraw/zinc/36/95/28/506369528.db2.gz KHKFASHXUMOSLQ-QWRGUYRKSA-N 0 0 354.453 2.905 50 5 FFBARN COc1ccc(OCc2cccc(C(=O)Nn3cc([N+](=O)[O-])cn3)c2)cc1 ZINC000004652267 506387156 /nfs/dbraw/zinc/38/71/56/506387156.db2.gz KZASASKOUULWBZ-UHFFFAOYSA-N 0 0 368.349 2.763 50 5 FFBARN COc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)c1 ZINC000005049440 506417706 /nfs/dbraw/zinc/41/77/06/506417706.db2.gz XUPWXLOPCYFDQV-UHFFFAOYSA-N 0 0 370.409 2.608 50 5 FFBARN Cc1ccccc1N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1=O ZINC000037521087 506427064 /nfs/dbraw/zinc/42/70/64/506427064.db2.gz XJPNZAWXJJTKAX-CQSZACIVSA-N 0 0 353.378 2.781 50 5 FFBARN Cc1cc(C(=O)OCC(=O)c2ccc3c(c2)OCCO3)ccc1[N+](=O)[O-] ZINC000005635193 506450850 /nfs/dbraw/zinc/45/08/50/506450850.db2.gz MYTVFUMKUBSJMC-UHFFFAOYSA-N 0 0 357.318 2.714 50 5 FFBARN COC(=O)c1c2c(sc1NC(=O)c1n[nH]cc1[N+](=O)[O-])CCCCC2 ZINC000006265872 506474578 /nfs/dbraw/zinc/47/45/78/506474578.db2.gz SEFCBKZUFNRYGX-UHFFFAOYSA-N 0 0 364.383 2.687 50 5 FFBARN Cc1ccc(OCCOC(=O)c2cc([N+](=O)[O-])ccc2NCCO)cc1 ZINC000006465275 506484074 /nfs/dbraw/zinc/48/40/74/506484074.db2.gz VRHKWEIGNSTFRK-UHFFFAOYSA-N 0 0 360.366 2.543 50 5 FFBARN Cc1ccc(OCCN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000006834720 506509858 /nfs/dbraw/zinc/50/98/58/506509858.db2.gz BMHBMKXXTSYIBJ-LJQANCHMSA-N 0 0 369.377 2.749 50 5 FFBARN COc1ccccc1NC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(C)=O ZINC000006856851 506512332 /nfs/dbraw/zinc/51/23/32/506512332.db2.gz DRHMNFAQZKWPQI-LFIBNONCSA-N 0 0 355.350 2.719 50 5 FFBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(c2ncccn2)CC1 ZINC000006923550 506517569 /nfs/dbraw/zinc/51/75/69/506517569.db2.gz MLRPCMMCTVJKRW-UHFFFAOYSA-N 0 0 353.304 2.730 50 5 FFBARN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(-n2ccnc2)cc1 ZINC000007050173 506529031 /nfs/dbraw/zinc/52/90/31/506529031.db2.gz BHKMOWCNDZUTNE-ZDUSSCGKSA-N 0 0 372.406 2.820 50 5 FFBARN CS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000007725062 506584285 /nfs/dbraw/zinc/58/42/85/506584285.db2.gz WVKKGWOSCSRPAP-UHFFFAOYSA-N 0 0 354.771 2.904 50 5 FFBARN CC(=O)c1cccc(N2C(=O)C[C@@H](Nc3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000008024971 506614529 /nfs/dbraw/zinc/61/45/29/506614529.db2.gz GMSDXAPXLZZPHE-MRXNPFEDSA-N 0 0 353.334 2.541 50 5 FFBARN CNc1ccc(S(=O)(=O)N(C)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000008747671 506666024 /nfs/dbraw/zinc/66/60/24/506666024.db2.gz KHPIFFZFUNILLY-UHFFFAOYSA-N 0 0 353.375 2.596 50 5 FFBARN Cc1cccnc1NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000008779761 506669042 /nfs/dbraw/zinc/66/90/42/506669042.db2.gz ZJDXVOAFOLOIHF-UHFFFAOYSA-N 0 0 356.338 2.625 50 5 FFBARN O=c1c2cc([N+](=O)[O-])ccc2ncn1Cc1cc2c(c(Cl)c1)OCO2 ZINC000008777947 506669249 /nfs/dbraw/zinc/66/92/49/506669249.db2.gz LSPCRLYTMWCYIQ-UHFFFAOYSA-N 0 0 359.725 2.735 50 5 FFBARN COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000008816108 506671009 /nfs/dbraw/zinc/67/10/09/506671009.db2.gz CDAXJNZGDXIOSF-NSHDSACASA-N 0 0 373.340 2.734 50 5 FFBARN CN(Cc1ccc(Cl)cc1Cl)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000009216966 506687694 /nfs/dbraw/zinc/68/76/94/506687694.db2.gz NBXMUWJXEMMEOS-UHFFFAOYSA-N 0 0 356.165 2.862 50 5 FFBARN Cn1ccnc1[C@@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000009367242 506694034 /nfs/dbraw/zinc/69/40/34/506694034.db2.gz NFOLPKLEDLMHRR-INIZCTEOSA-N 0 0 369.356 2.768 50 5 FFBARN Cc1nc2ccc(Cl)cn2c(=O)c1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000009616924 506704846 /nfs/dbraw/zinc/70/48/46/506704846.db2.gz VAYMMKMLTYQBOU-UHFFFAOYSA-N 0 0 358.741 2.817 50 5 FFBARN O=C(CNc1ccc(F)c([N+](=O)[O-])c1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000011549557 506782163 /nfs/dbraw/zinc/78/21/63/506782163.db2.gz JIWPHTYBXKWTLM-UHFFFAOYSA-N 0 0 372.356 2.677 50 5 FFBARN C[C@H](NC(=O)c1ccc(N2CCN(C)CC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000012555157 506877885 /nfs/dbraw/zinc/87/78/85/506877885.db2.gz LQJLZRDOQKSJQQ-HNNXBMFYSA-N 0 0 368.437 2.838 50 5 FFBARN Cc1ccc(OCCN(C)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000045798689 507023642 /nfs/dbraw/zinc/02/36/42/507023642.db2.gz ZCXMMSWGSJCBFT-UHFFFAOYSA-N 0 0 364.423 2.744 50 5 FFBARN O=[N+]([O-])c1ccc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)nc1 ZINC000020223961 507215004 /nfs/dbraw/zinc/21/50/04/507215004.db2.gz RBQKWOPXUZSMJK-UHFFFAOYSA-N 0 0 353.304 2.730 50 5 FFBARN COc1ncccc1CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000023101783 507328166 /nfs/dbraw/zinc/32/81/66/507328166.db2.gz YMJOGQIDYHNSMN-UHFFFAOYSA-N 0 0 356.382 2.529 50 5 FFBARN COc1ccc(NC(=O)NCCc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC000023394454 507350100 /nfs/dbraw/zinc/35/01/00/507350100.db2.gz PZOQRRXZAJGKID-UHFFFAOYSA-N 0 0 359.338 2.696 50 5 FFBARN COC(=O)c1cccc2c3c([nH]c21)CCN(C(=O)c1ccc([N+](=O)[O-])o1)C3 ZINC000024555436 507420163 /nfs/dbraw/zinc/42/01/63/507420163.db2.gz PYXXRGAQPUYBMY-UHFFFAOYSA-N 0 0 369.333 2.654 50 5 FFBARN CN(C)C(=O)COc1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000024747547 507435414 /nfs/dbraw/zinc/43/54/14/507435414.db2.gz YOPCKAVQZHYMAI-UHFFFAOYSA-N 0 0 358.354 2.706 50 5 FFBARN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCc2ccccc21 ZINC000025051513 507460829 /nfs/dbraw/zinc/46/08/29/507460829.db2.gz DYMDKPSKJYYJBL-QGZVFWFLSA-N 0 0 353.378 2.518 50 5 FFBARN CN(C)c1ccc(C(=O)N2CCO[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000030764657 507813073 /nfs/dbraw/zinc/81/30/73/507813073.db2.gz OATBDYWNXASIAU-GOSISDBHSA-N 0 0 355.394 2.875 50 5 FFBARN Cc1cccc(C(=O)N[C@H](C)c2ccc3c(c2)NC(=O)CO3)c1[N+](=O)[O-] ZINC000031737068 507821372 /nfs/dbraw/zinc/82/13/72/507821372.db2.gz MIPJVBXLFOPWHQ-LLVKDONJSA-N 0 0 355.350 2.725 50 5 FFBARN NC(=O)[C@H]1CCCCC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000079097516 507933220 /nfs/dbraw/zinc/93/32/20/507933220.db2.gz DVTUJJVOABWDJI-CMPLNLGQSA-N 0 0 354.794 2.804 50 5 FFBARN COC(=O)c1ccc(OCc2nc3oc(C)c(C)c3c(N)n2)c([N+](=O)[O-])c1 ZINC000084061856 508264233 /nfs/dbraw/zinc/26/42/33/508264233.db2.gz BVCJWGCQQAXCJN-UHFFFAOYSA-N 0 0 372.337 2.696 50 5 FFBARN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2C[C@@H]3CC[C@@H](O)[C@H]3C2)CC1 ZINC000239667456 521044566 /nfs/dbraw/zinc/04/45/66/521044566.db2.gz BQEWZZCEKPLKQB-UCLAIMLFSA-N 0 0 373.453 2.674 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1CN1c2ccccc2[C@@H](C(N)=O)C[C@H]1C ZINC000058424533 536952095 /nfs/dbraw/zinc/95/20/95/536952095.db2.gz BDHYBMIDMIUTTA-WBMJQRKESA-N 0 0 355.394 2.971 50 5 FFBARN O=[N+]([O-])c1c(N2CCC(c3nncn3C3CC3)CC2)nc2ccccn21 ZINC000084606555 571092639 /nfs/dbraw/zinc/09/26/39/571092639.db2.gz CCWXITHRIYBZRV-UHFFFAOYSA-N 0 0 353.386 2.553 50 5 FFBARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)OCC(=O)Nc1ccc(Cl)cn1 ZINC000097656199 728483584 /nfs/dbraw/zinc/48/35/84/728483584.db2.gz XNFCJGALSAKTFI-DAXSKMNVSA-N 0 0 361.741 2.838 50 5 FFBARN COc1cccc(/C=C\C(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000006373217 976596484 /nfs/dbraw/zinc/59/64/84/976596484.db2.gz VUXUBKLEUZBWQW-YVMONPNESA-N 0 0 374.324 2.938 50 5 FFBARN O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1c1nc(F)cc(F)n1 ZINC000826559558 1010469859 /nfs/dbraw/zinc/46/98/59/1010469859.db2.gz PLAJBYPLZBOEEC-UHFFFAOYSA-N 0 0 356.244 2.617 50 5 FFBARN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000035079768 1019197151 /nfs/dbraw/zinc/19/71/51/1019197151.db2.gz DFCXNDRVQKGYSN-TWGQIWQCSA-N 0 0 371.305 2.698 50 5 FFBARN O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccco2)C[C@H]2CCCO2)cc1 ZINC000000741529 219317915 /nfs/dbraw/zinc/31/79/15/219317915.db2.gz QWMXGYWEVDLTOP-OAHLLOKOSA-N 0 0 366.395 2.558 50 5 FFBARN COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)c(OC)cc1NC(C)=O ZINC000000790039 219321254 /nfs/dbraw/zinc/32/12/54/219321254.db2.gz KGBLHZRMMORURV-UHFFFAOYSA-N 0 0 359.338 2.823 50 5 FFBARN CC[C@@H]1CCCCN1C(=O)Cn1nc([N+](=O)[O-])c(Br)c1C ZINC000000756436 219319271 /nfs/dbraw/zinc/31/92/71/219319271.db2.gz VMSZQHJEPVIJKC-SNVBAGLBSA-N 0 0 359.224 2.653 50 5 FFBARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 ZINC000000820536 219325542 /nfs/dbraw/zinc/32/55/42/219325542.db2.gz KOFRKMPTJWTECN-QGZVFWFLSA-N 0 0 367.361 2.966 50 5 FFBARN COc1cc([N+](=O)[O-])cc2cc(C(=O)NCc3ccccc3)c(=O)oc21 ZINC000000789079 219321809 /nfs/dbraw/zinc/32/18/09/219321809.db2.gz NHTZPUMNFXWBAK-UHFFFAOYSA-N 0 0 354.318 2.640 50 5 FFBARN NC(=O)c1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 ZINC000000799354 219322692 /nfs/dbraw/zinc/32/26/92/219322692.db2.gz MMBDOZYLAJKSRI-UHFFFAOYSA-N 0 0 359.407 2.815 50 5 FFBARN Cc1cc(C)n(C(=O)[C@@H](C)n2nc([N+](=O)[O-])c(Br)c2C)n1 ZINC000001070880 219364367 /nfs/dbraw/zinc/36/43/67/219364367.db2.gz SPOUKAGICWHNJR-SECBINFHSA-N 0 0 356.180 2.577 50 5 FFBARN CCC1(C)CN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)C1 ZINC000241515521 222919052 /nfs/dbraw/zinc/91/90/52/222919052.db2.gz OFYYRYQDDJJITA-UHFFFAOYSA-N 0 0 353.444 2.616 50 5 FFBARN CC(C)c1ccc(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000003598603 219521502 /nfs/dbraw/zinc/52/15/02/219521502.db2.gz PRGWNJNUTDPBHW-UHFFFAOYSA-N 0 0 367.361 2.953 50 5 FFBARN CC(C)OC(=O)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O ZINC000004084445 219540427 /nfs/dbraw/zinc/54/04/27/219540427.db2.gz OHJKTKPYJMTDKU-UHFFFAOYSA-N 0 0 354.318 2.961 50 5 FFBARN O=[N+]([O-])c1cc(N[C@@H]2C[C@H](O)[C@H](O)CO2)cc(Sc2ccccc2)c1 ZINC000004571265 219587564 /nfs/dbraw/zinc/58/75/64/219587564.db2.gz AQFSCHZBYWUHCK-BBWFWOEESA-N 0 0 362.407 2.626 50 5 biogenic,in-vitro FFBARN CN1C2=C(C(=O)N(c3ccccc3)C2)[C@@H](c2cccc([N+](=O)[O-])c2)NC1=O ZINC000004727978 219601280 /nfs/dbraw/zinc/60/12/80/219601280.db2.gz CPFFQGYMPDMGJD-QGZVFWFLSA-N 0 0 364.361 2.592 50 5 FFBARN O=[N+]([O-])c1cc2c(cc1CN1CCN(Cc3ccccc3)CC1)OCO2 ZINC000004978708 219633387 /nfs/dbraw/zinc/63/33/87/219633387.db2.gz PVVKLIZOBXBTER-UHFFFAOYSA-N 0 0 355.394 2.641 50 5 FFBARN O=C(Nc1ccc(F)c(F)c1F)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000009154498 219875155 /nfs/dbraw/zinc/87/51/55/219875155.db2.gz PRFDATGGIRIZDX-UHFFFAOYSA-N 0 0 363.255 2.845 50 5 FFBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCNC(=O)c1ccccc1 ZINC000015178975 220149471 /nfs/dbraw/zinc/14/94/71/220149471.db2.gz RMTCALJDOSLXRR-AWEZNQCLSA-N 0 0 355.394 2.934 50 5 FFBARN COCCNc1ccc(C(=O)N2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000015627429 220158087 /nfs/dbraw/zinc/15/80/87/220158087.db2.gz AOPWKWURZTUPNV-UHFFFAOYSA-N 0 0 355.394 2.852 50 5 FFBARN CCCCN(C)C(=O)C1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000048273903 221004204 /nfs/dbraw/zinc/00/42/04/221004204.db2.gz FZSBXZBIHQEZEG-UHFFFAOYSA-N 0 0 373.457 2.873 50 5 FFBARN O=C(NCc1ccc2c(c1)OCO2)c1cccn2c(=O)c3ccccc3nc12 ZINC000051317268 221034524 /nfs/dbraw/zinc/03/45/24/221034524.db2.gz UVTCYGJCKZZKED-UHFFFAOYSA-N 0 0 373.368 2.506 50 5 FFBARN Cc1cccc(C(=O)N2CCN(CCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000053666662 221047675 /nfs/dbraw/zinc/04/76/75/221047675.db2.gz FIWCPNHOEOMYNC-UHFFFAOYSA-N 0 0 353.422 2.904 50 5 FFBARN COC(=O)c1cc(C(=O)N(C)c2ccc(F)c(F)c2)cc([N+](=O)[O-])c1 ZINC000056226180 221079113 /nfs/dbraw/zinc/07/91/13/221079113.db2.gz CGAHKCWTJCVCPW-UHFFFAOYSA-N 0 0 350.277 2.936 50 5 FFBARN CCOC(=O)c1[nH]c2ccc([N+](=O)[O-])cc2c1I ZINC000063110824 221142560 /nfs/dbraw/zinc/14/25/60/221142560.db2.gz ZKUXGUWRSZESPV-UHFFFAOYSA-N 0 0 360.107 2.857 50 5 FFBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCc1c[nH]c2ccccc12 ZINC000072236006 221451964 /nfs/dbraw/zinc/45/19/64/221451964.db2.gz XJCZRJJQLGJFNZ-UHFFFAOYSA-N 0 0 359.407 2.906 50 5 FFBARN O=[N+]([O-])c1ccc(N2CCC(n3cncn3)CC2)c(Br)c1 ZINC000084351033 132198803 /nfs/dbraw/zinc/19/88/03/132198803.db2.gz MMWPUODFNJACMI-UHFFFAOYSA-N 0 0 352.192 2.790 50 5 FFBARN CC(C)Oc1cccc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000169031085 132261591 /nfs/dbraw/zinc/26/15/91/132261591.db2.gz XHOBRDVNKLHWPQ-UHFFFAOYSA-N 0 0 370.409 2.739 50 5 FFBARN CNc1cc(N2CCN(C(=O)Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000004703642 132824069 /nfs/dbraw/zinc/82/40/69/132824069.db2.gz FXJQDQGHDFGLAM-UHFFFAOYSA-N 0 0 354.410 2.528 50 5 FFBARN C[C@@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cccs1 ZINC000012641004 132861935 /nfs/dbraw/zinc/86/19/35/132861935.db2.gz HXAUYUDOXCNCQJ-GFCCVEGCSA-N 0 0 361.423 2.984 50 5 FFBARN C[C@@H]1CC[C@@H](C(N)=O)CN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000042739826 136121349 /nfs/dbraw/zinc/12/13/49/136121349.db2.gz CJKMKSPUALZAPQ-CZUORRHYSA-N 0 0 367.405 2.916 50 5 FFBARN O=[N+]([O-])c1cccnc1NCc1ccc(N2CCCC[C@H]2CCO)nc1 ZINC000047253880 136122754 /nfs/dbraw/zinc/12/27/54/136122754.db2.gz KOWVYTZJOIKDRE-HNNXBMFYSA-N 0 0 357.414 2.738 50 5 FFBARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000100103788 222235714 /nfs/dbraw/zinc/23/57/14/222235714.db2.gz OUYHHVXCWZAPMH-INIZCTEOSA-N 0 0 360.366 2.566 50 5 FFBARN Cc1ccc(N2C(=O)[C@H]3ON=C(c4ccc([N+](=O)[O-])cc4)C3=C2O)c(C)c1 ZINC000100886691 222256913 /nfs/dbraw/zinc/25/69/13/222256913.db2.gz PEODFDAIUIXEHI-WBVHZDCISA-N 0 0 365.345 2.504 50 5 FFBARN CC1=C(C(=O)O[C@@H]2CCC[C@@H]2C)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 ZINC000101106474 222262302 /nfs/dbraw/zinc/26/23/02/222262302.db2.gz BQRURLIZQQYDGS-JJMVLAAESA-N 0 0 359.382 2.955 50 5 FFBARN Cc1noc(-c2ccccc2OCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000008586921 263356758 /nfs/dbraw/zinc/35/67/58/263356758.db2.gz UJDNSYJRSZUSIP-UHFFFAOYSA-N 0 0 354.322 2.971 50 5 FFBARN Cc1sc(C(=O)N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1[N+](=O)[O-] ZINC000032357778 506244646 /nfs/dbraw/zinc/24/46/46/506244646.db2.gz BFUONOQPINHPAB-UHFFFAOYSA-N 0 0 373.434 2.871 50 5 FFBARN COCCCn1c2nc3ccccc3nc2c2c1ncn(CC(C)C)c2=O ZINC000002251766 506276337 /nfs/dbraw/zinc/27/63/37/506276337.db2.gz CEVXOFMZRXVAMK-UHFFFAOYSA-N 0 0 365.437 2.987 50 5 FFBARN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc2c(c1)OCO2 ZINC000002660310 506287058 /nfs/dbraw/zinc/28/70/58/506287058.db2.gz ZPUACVNQUKNVKJ-UHFFFAOYSA-N 0 0 359.290 2.547 50 5 FFBARN O=C(NC[C@@H](c1ccccc1)N1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000032779501 506295692 /nfs/dbraw/zinc/29/56/92/506295692.db2.gz VDZZRAIYNHEZEC-SFHVURJKSA-N 0 0 370.409 2.790 50 5 FFBARN O=[N+]([O-])c1ccc(S(=O)(=O)NCCOc2ccccc2Cl)cc1 ZINC000002870082 506298698 /nfs/dbraw/zinc/29/86/98/506298698.db2.gz DAPUUGKSAKUHTL-UHFFFAOYSA-N 0 0 356.787 2.606 50 5 FFBARN COCCn1c(C)c(C)nc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000032893937 506307819 /nfs/dbraw/zinc/30/78/19/506307819.db2.gz DYDGNEUUBCDNPW-UHFFFAOYSA-N 0 0 364.427 2.785 50 5 FFBARN CC(C)c1ccc(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 ZINC000003245293 506314733 /nfs/dbraw/zinc/31/47/33/506314733.db2.gz JXKSFXLBAWVROT-UHFFFAOYSA-N 0 0 367.361 2.953 50 5 FFBARN CN(C)[C@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1cccs1 ZINC000033012142 506325060 /nfs/dbraw/zinc/32/50/60/506325060.db2.gz SMOAPABBSQMGMS-CQSZACIVSA-N 0 0 369.468 2.775 50 5 FFBARN Cc1c(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] ZINC000003444344 506331138 /nfs/dbraw/zinc/33/11/38/506331138.db2.gz BYIJPDZLRANBQP-NSHDSACASA-N 0 0 372.333 2.816 50 5 FFBARN Cc1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1-n1cnnn1 ZINC000033082015 506334795 /nfs/dbraw/zinc/33/47/95/506334795.db2.gz BWISWZKADDQIAC-SOFGYWHQSA-N 0 0 350.338 2.531 50 5 FFBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCc1ccc2c(c1)OCCO2 ZINC000003560272 506343332 /nfs/dbraw/zinc/34/33/32/506343332.db2.gz WMTVBDBTRWWWMF-FNORWQNLSA-N 0 0 354.362 2.738 50 5 FFBARN COC(=O)c1cccc([N+](=O)[O-])c1-c1c(C(=O)OC)cccc1[N+](=O)[O-] ZINC000003844129 506349380 /nfs/dbraw/zinc/34/93/80/506349380.db2.gz VWKXXMPVBIQLRJ-UHFFFAOYSA-N 0 0 360.278 2.743 50 5 FFBARN O=C1N[C@]2(CCCc3ccccc32)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000003600577 506346745 /nfs/dbraw/zinc/34/67/45/506346745.db2.gz JVSRRVCVRQPUBJ-IBGZPJMESA-N 0 0 351.362 2.878 50 5 FFBARN COC(=O)C[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000004653663 506387023 /nfs/dbraw/zinc/38/70/23/506387023.db2.gz QCFINVNXBNIQLN-INIZCTEOSA-N 0 0 363.414 2.505 50 5 FFBARN CCOC(=O)C1CCN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000004872598 506402165 /nfs/dbraw/zinc/40/21/65/506402165.db2.gz YKVHDLCEEPTSJS-UHFFFAOYSA-N 0 0 366.439 2.630 50 5 FFBARN CN(C)c1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000005014613 506413807 /nfs/dbraw/zinc/41/38/07/506413807.db2.gz IDIDSOHCHNOYBX-UHFFFAOYSA-N 0 0 354.410 2.623 50 5 FFBARN O=C(COC(=O)c1ccccc1[N+](=O)[O-])NC12CC3CC(CC(C3)C1)C2 ZINC000005032393 506415945 /nfs/dbraw/zinc/41/59/45/506415945.db2.gz DCKHAACMYYNWPF-UHFFFAOYSA-N 0 0 358.394 2.837 50 5 FFBARN Cc1cc(C)cc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000005019572 506416320 /nfs/dbraw/zinc/41/63/20/506416320.db2.gz JABLZIFOQSQEKY-UHFFFAOYSA-N 0 0 369.421 2.939 50 5 FFBARN CCOC(=O)[C@@H]1CCCN(C(=O)CSc2ccsc2[N+](=O)[O-])C1 ZINC000005069150 506419109 /nfs/dbraw/zinc/41/91/09/506419109.db2.gz AGBJHLAQEOHRMC-SNVBAGLBSA-N 0 0 358.441 2.550 50 5 FFBARN Nc1cc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000005331584 506437808 /nfs/dbraw/zinc/43/78/08/506437808.db2.gz GLXMWURIEUYVFY-UHFFFAOYSA-N 0 0 360.801 2.793 50 5 FFBARN CCOC(=O)C[C@H]1COc2ccccc2N1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000005598222 506450246 /nfs/dbraw/zinc/45/02/46/506450246.db2.gz JHFVDALEAIDZSI-HNNXBMFYSA-N 0 0 370.361 2.956 50 5 FFBARN CS(=O)(=O)c1ccc(SCC(=O)Oc2ccccc2)c([N+](=O)[O-])c1 ZINC000006174216 506469486 /nfs/dbraw/zinc/46/94/86/506469486.db2.gz ICRUBRPYPCBACF-UHFFFAOYSA-N 0 0 367.404 2.696 50 5 FFBARN O=C(Nc1ccccc1[N+](=O)[O-])N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000040149956 506474365 /nfs/dbraw/zinc/47/43/65/506474365.db2.gz ATJWHVPFADMVRU-MRXNPFEDSA-N 0 0 354.366 2.690 50 5 FFBARN CC(C)NS(=O)(=O)c1ccc(NCCCOC(C)C)c([N+](=O)[O-])c1 ZINC000006507656 506486367 /nfs/dbraw/zinc/48/63/67/506486367.db2.gz LFCLKILMWLKYKH-UHFFFAOYSA-N 0 0 359.448 2.509 50 5 FFBARN CNc1ccc(C(=O)OCC(=O)Nc2cccc(C(C)=O)c2)cc1[N+](=O)[O-] ZINC000006790107 506507008 /nfs/dbraw/zinc/50/70/08/506507008.db2.gz HZHSYXCPBZRANY-UHFFFAOYSA-N 0 0 371.349 2.635 50 5 FFBARN C[C@@H](OC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000007784116 506590133 /nfs/dbraw/zinc/59/01/33/506590133.db2.gz AMEFUNNWFTYMKL-HABKJSAYSA-N 0 0 374.393 2.860 50 5 FFBARN COc1ccc(S(=O)(=O)NCc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000007778370 506590139 /nfs/dbraw/zinc/59/01/39/506590139.db2.gz QGJYBZZKHCUQPG-UHFFFAOYSA-N 0 0 356.787 2.735 50 5 FFBARN COC(=O)c1cc(CNc2nc3sccn3c2[N+](=O)[O-])ccc1OC ZINC000008318441 506642225 /nfs/dbraw/zinc/64/22/25/506642225.db2.gz XIBUNGHKDBFECA-UHFFFAOYSA-N 0 0 362.367 2.711 50 5 FFBARN C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CCOc2ccccc2F)C1=O ZINC000008646114 506660810 /nfs/dbraw/zinc/66/08/10/506660810.db2.gz ZKVMERISSMCANS-SFHVURJKSA-N 0 0 373.340 2.580 50 5 FFBARN COc1ccc(N2C[C@H](C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2=O)cc1 ZINC000008816494 506671209 /nfs/dbraw/zinc/67/12/09/506671209.db2.gz KEWATXXRMVKPEP-CYBMUJFWSA-N 0 0 369.377 2.903 50 5 FFBARN COC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2c(C)cccc2[N+](=O)[O-])c1C ZINC000008921587 506672790 /nfs/dbraw/zinc/67/27/90/506672790.db2.gz RQOOBGLPDWWFAC-UHFFFAOYSA-N 0 0 374.349 2.674 50 5 FFBARN CNc1ccc([N+](=O)[O-])cc1C(=O)NCC(=O)Nc1c(C)cccc1C ZINC000009337367 506691088 /nfs/dbraw/zinc/69/10/88/506691088.db2.gz YKWFVEUQGITEPR-UHFFFAOYSA-N 0 0 356.382 2.622 50 5 FFBARN Cc1ccc(C(=O)NCC(=O)N[C@H]2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000009388995 506694895 /nfs/dbraw/zinc/69/48/95/506694895.db2.gz VDSGMMJOCAORRZ-KRWDZBQOSA-N 0 0 367.405 2.827 50 5 FFBARN O=C(COc1ccc([N+](=O)[O-])cc1-c1cccs1)NC[C@H]1CCCO1 ZINC000009603118 506705613 /nfs/dbraw/zinc/70/56/13/506705613.db2.gz JKIANHCSZVQKCX-CYBMUJFWSA-N 0 0 362.407 2.997 50 5 FFBARN O=C(CSc1nnc(-c2ccncc2)o1)Nc1ccc([N+](=O)[O-])cc1 ZINC000010188222 506730163 /nfs/dbraw/zinc/73/01/63/506730163.db2.gz GOILBZJHZFLHDT-UHFFFAOYSA-N 0 0 357.351 2.771 50 5 FFBARN Cc1c(C(=O)Nc2ccc(-c3ccc(=O)n(C)n3)cc2)cccc1[N+](=O)[O-] ZINC000010325259 506736961 /nfs/dbraw/zinc/73/69/61/506736961.db2.gz IAYXUCSBBXRJEK-UHFFFAOYSA-N 0 0 364.361 2.916 50 5 FFBARN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C(=O)N(C)C)ccc2C)c1 ZINC000067548778 506922329 /nfs/dbraw/zinc/92/23/29/506922329.db2.gz GCVQOCIACOEVGE-UHFFFAOYSA-N 0 0 357.366 2.866 50 5 FFBARN Cc1cccc(C(=O)NCc2ccc(CN3CCOCC3)cc2)c1[N+](=O)[O-] ZINC000023731610 507369142 /nfs/dbraw/zinc/36/91/42/507369142.db2.gz NVYIAHIEIMKEKB-UHFFFAOYSA-N 0 0 369.421 2.665 50 5 FFBARN O=C(COC(=O)c1cc(Cl)ccc1O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000024170831 507397352 /nfs/dbraw/zinc/39/73/52/507397352.db2.gz BOYIBCHGHXLXTO-UHFFFAOYSA-N 0 0 368.704 2.888 50 5 FFBARN Cc1cccc(NC(=O)NCC(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000025007177 507459060 /nfs/dbraw/zinc/45/90/60/507459060.db2.gz UPCUQYKXIOAYFC-UHFFFAOYSA-N 0 0 356.382 2.683 50 5 FFBARN CN(C)[C@@H](c1nnnn1-c1cccc(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000025178070 507472196 /nfs/dbraw/zinc/47/21/96/507472196.db2.gz FVWXXRBKCJYWCC-OAHLLOKOSA-N 0 0 358.789 2.875 50 5 FFBARN O=c1[nH]cnc2cc(NC[C@H](O)c3ccc(Cl)cc3)c([N+](=O)[O-])cc12 ZINC000030860190 507813940 /nfs/dbraw/zinc/81/39/40/507813940.db2.gz JOIVSCLAHVQNBA-HNNXBMFYSA-N 0 0 360.757 2.630 50 5 FFBARN COc1ccc(OC)c2c1CN(CCc1ccc([N+](=O)[O-])cc1)C[C@H]2O ZINC000052561537 507813996 /nfs/dbraw/zinc/81/39/96/507813996.db2.gz AIAGFMJWJZZASO-MRXNPFEDSA-N 0 0 358.394 2.704 50 5 FFBARN C[C@@]1(c2cccnc2)NC(=O)N(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1=O ZINC000079107329 507933909 /nfs/dbraw/zinc/93/39/09/507933909.db2.gz QTFLHBBJVOPIDW-INIZCTEOSA-N 0 0 360.757 2.610 50 5 FFBARN O=C(C1CCCCC1)N1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000075107671 508083541 /nfs/dbraw/zinc/08/35/41/508083541.db2.gz XUJZYMXAKWYMAX-UHFFFAOYSA-N 0 0 372.425 2.961 50 5 FFBARN COC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccc(O)c1 ZINC000095451199 508185943 /nfs/dbraw/zinc/18/59/43/508185943.db2.gz KAJUUWKRALPGOD-CQSZACIVSA-N 0 0 364.741 2.598 50 5 FFBARN Cc1ccc(OCC(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000019789402 525379881 /nfs/dbraw/zinc/37/98/81/525379881.db2.gz JFCMVSHSEPODEA-UHFFFAOYSA-N 0 0 369.421 2.626 50 5 FFBARN CCC(=O)N1CCN(c2cc(N3CCCCC3)c(F)cc2[N+](=O)[O-])CC1 ZINC000003894057 535308239 /nfs/dbraw/zinc/30/82/39/535308239.db2.gz QPFFUOYDTULCKV-UHFFFAOYSA-N 0 0 364.421 2.783 50 5 FFBARN Cc1c(CS(=O)(=O)CC(=O)N[C@H]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000048718151 570959045 /nfs/dbraw/zinc/95/90/45/570959045.db2.gz JYPFLKWDNVGMHW-WFASDCNBSA-N 0 0 368.455 2.513 50 5 FFBARN COc1ccc(C(=O)N2N=C(C)C[C@]2(O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000000711081 219316015 /nfs/dbraw/zinc/31/60/15/219316015.db2.gz RFMNLAUYZCITQV-SFHVURJKSA-N 0 0 355.350 2.671 50 5 FFBARN COc1cccc([C@H]2c3c(c4ccccc4oc3=O)OC(N)=C2[N+](=O)[O-])c1 ZINC000000716293 219316420 /nfs/dbraw/zinc/31/64/20/219316420.db2.gz SJLQZJOQJWFCNE-AWEZNQCLSA-N 0 0 366.329 2.730 50 5 biogenic FFBARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2[N+](=O)[O-])NC(=O)N1 ZINC000000956668 219346663 /nfs/dbraw/zinc/34/66/63/219346663.db2.gz KIPYWUZZUCRLHD-INIZCTEOSA-N 0 0 352.350 2.861 50 5 FFBARN O=C(NC[C@@H]1CCCO1)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000001115110 219372052 /nfs/dbraw/zinc/37/20/52/219372052.db2.gz ANXRXBJOHOQQPE-KRWDZBQOSA-N 0 0 369.377 2.756 50 5 FFBARN O=C(Nc1ccc2c(c1)OCO2)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000002761522 219462460 /nfs/dbraw/zinc/46/24/60/219462460.db2.gz FHPBHPMUKCSSJB-UHFFFAOYSA-N 0 0 366.333 2.821 50 5 FFBARN COc1ccc(CNC(=O)c2ccccc2Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000002796325 219466079 /nfs/dbraw/zinc/46/60/79/219466079.db2.gz DEXQUEGUCSOGPR-UHFFFAOYSA-N 0 0 366.377 2.778 50 5 FFBARN COC(=O)c1ccc(SCC(=O)NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000003032016 219483521 /nfs/dbraw/zinc/48/35/21/219483521.db2.gz OEBOCDGPJZNEGH-UHFFFAOYSA-N 0 0 360.391 2.790 50 5 FFBARN COc1ccc(-c2n[nH]c3c2[C@@H](c2cccc([N+](=O)[O-])c2)NC3=O)cc1 ZINC000004929065 219625189 /nfs/dbraw/zinc/62/51/89/219625189.db2.gz PISQTRPMTCIXLO-OAHLLOKOSA-N 0 0 350.334 2.826 50 5 FFBARN COc1cccc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)c2nccn2C)c1 ZINC000008719933 219867559 /nfs/dbraw/zinc/86/75/59/219867559.db2.gz UMQOUODXEOYPFC-KRWDZBQOSA-N 0 0 366.377 2.856 50 5 FFBARN COc1ccc(-c2nonc2NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000008916341 219871587 /nfs/dbraw/zinc/87/15/87/219871587.db2.gz OVWOUEQEKORRNZ-UHFFFAOYSA-N 0 0 370.321 2.671 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O ZINC000009585680 219883306 /nfs/dbraw/zinc/88/33/06/219883306.db2.gz XZYXGSPMEYZVQA-IBGZPJMESA-N 0 0 369.377 2.879 50 5 FFBARN CN(C)c1ccc(C(=O)/N=c2/sc3cc([N+](=O)[O-])ccc3n2C)cc1 ZINC000011666974 219925080 /nfs/dbraw/zinc/92/50/80/219925080.db2.gz GQHFKFJCGARCST-ISLYRVAYSA-N 0 0 356.407 2.955 50 5 FFBARN Cc1cc(C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)ccc1[N+](=O)[O-] ZINC000013012393 220053717 /nfs/dbraw/zinc/05/37/17/220053717.db2.gz LBQHNOACDHSBFA-IBGZPJMESA-N 0 0 369.421 2.707 50 5 FFBARN Cc1nn(Cc2nnc(-c3ccc(Br)o3)o2)c(C)c1[N+](=O)[O-] ZINC000013985206 220100444 /nfs/dbraw/zinc/10/04/44/220100444.db2.gz RALUKKYQPHGWOC-UHFFFAOYSA-N 0 0 368.147 2.862 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000019801769 220298650 /nfs/dbraw/zinc/29/86/50/220298650.db2.gz SBAHYSSAAWFZNI-UHFFFAOYSA-N 0 0 355.394 2.561 50 5 FFBARN Nc1ccc(C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cc1[N+](=O)[O-] ZINC000032795916 220681106 /nfs/dbraw/zinc/68/11/06/220681106.db2.gz ZJCOZXPYACOVTR-UHFFFAOYSA-N 0 0 363.377 2.983 50 5 FFBARN CC[C@H]1CCCCN1C(=O)CS(=O)(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000048716801 221014654 /nfs/dbraw/zinc/01/46/54/221014654.db2.gz RNSPYONRMNZAGF-HNNXBMFYSA-N 0 0 368.455 2.609 50 5 FFBARN CS(=O)(=O)c1ccc(SC[C@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000052427077 221038063 /nfs/dbraw/zinc/03/80/63/221038063.db2.gz YYNSPUXYKXKGGB-AWEZNQCLSA-N 0 0 353.421 2.824 50 5 FFBARN COc1ccccc1C1(CNc2c([N+](=O)[O-])c(C)nn2C)CCOCC1 ZINC000057150127 221083809 /nfs/dbraw/zinc/08/38/09/221083809.db2.gz OOYNSKWDEXVJLV-UHFFFAOYSA-N 0 0 360.414 2.806 50 5 FFBARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COc1ccc([N+](=O)[O-])cc1F ZINC000059012092 221123985 /nfs/dbraw/zinc/12/39/85/221123985.db2.gz LYVWCYFYFXHVHV-NSHDSACASA-N 0 0 373.340 2.877 50 5 FFBARN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@H]1COc2ccccc2O1 ZINC000058357583 221115623 /nfs/dbraw/zinc/11/56/23/221115623.db2.gz WUWAPXAHYCZGNV-HNNXBMFYSA-N 0 0 367.361 2.506 50 5 FFBARN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000062580910 221140551 /nfs/dbraw/zinc/14/05/51/221140551.db2.gz BRTBDCZMCJQSEH-PVUWLOKVSA-N 0 0 358.398 2.708 50 5 FFBARN O=[N+]([O-])c1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)cc1 ZINC000100514696 132232742 /nfs/dbraw/zinc/23/27/42/132232742.db2.gz WVQOHYAIIJNDHE-UHFFFAOYSA-N 0 0 373.325 2.738 50 5 FFBARN Cc1sc2nc3c4ccccc4c(N4CCOCC4)nn3c(=O)c2c1C ZINC000000952401 132252315 /nfs/dbraw/zinc/25/23/15/132252315.db2.gz SLKIEBZHNAITAI-UHFFFAOYSA-N 0 0 366.446 2.911 50 5 FFBARN CCOc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000004044705 132386238 /nfs/dbraw/zinc/38/62/38/132386238.db2.gz AZYUZEOHLIFOLL-UHFFFAOYSA-N 0 0 355.394 2.956 50 5 FFBARN C[C@H](OCc1ccccc1)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000048261321 136123034 /nfs/dbraw/zinc/12/30/34/136123034.db2.gz WFRZHEHKYQCVJF-INIZCTEOSA-N 0 0 369.421 2.849 50 5 FFBARN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000084351135 221721270 /nfs/dbraw/zinc/72/12/70/221721270.db2.gz ICVYXCARHZLITJ-WDEREUQCSA-N 0 0 352.696 2.776 50 5 FFBARN COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000001120463 263142772 /nfs/dbraw/zinc/14/27/72/263142772.db2.gz VQAHPNAXXUEGTR-UHFFFAOYSA-N 0 0 352.368 2.721 50 5 FFBARN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1NCC(F)(F)F ZINC000004058860 263331341 /nfs/dbraw/zinc/33/13/41/263331341.db2.gz MOKHUTYZCDPAPD-UHFFFAOYSA-N 0 0 352.212 2.863 50 5 FFBARN O=C(COc1ccc(Br)cc1)Nc1ccc([N+](=O)[O-])cn1 ZINC000004998944 263337728 /nfs/dbraw/zinc/33/77/28/263337728.db2.gz DQFMJNQKUOADQD-UHFFFAOYSA-N 0 0 352.144 2.770 50 5 FFBARN Cc1ccnc(NC(=O)c2ccn(COc3ccccc3[N+](=O)[O-])n2)c1 ZINC000006789982 263346981 /nfs/dbraw/zinc/34/69/81/263346981.db2.gz CRSLQJUIQQQCQG-UHFFFAOYSA-N 0 0 353.338 2.784 50 5 FFBARN COc1ccc(OC)c(NC(=O)CCCn2nc(C)c([N+](=O)[O-])c2C)c1 ZINC000001432081 506262948 /nfs/dbraw/zinc/26/29/48/506262948.db2.gz HGHOTAFSXHIFMZ-UHFFFAOYSA-N 0 0 362.386 2.844 50 5 FFBARN Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1ccccc1F ZINC000001429834 506262954 /nfs/dbraw/zinc/26/29/54/506262954.db2.gz FRACQPPJVOJAKE-UHFFFAOYSA-N 0 0 357.139 2.640 50 5 FFBARN Cc1cccc(C(=O)N2CCC[C@H]2c2nnc3ccccn32)c1[N+](=O)[O-] ZINC000032809042 506297655 /nfs/dbraw/zinc/29/76/55/506297655.db2.gz LSUHIEGVHWQQDA-AWEZNQCLSA-N 0 0 351.366 2.923 50 5 FFBARN COc1ccc(CNC(=O)c2cccn3c(=O)c4ccccc4nc23)cc1 ZINC000002957218 506303258 /nfs/dbraw/zinc/30/32/58/506303258.db2.gz BZURJDOLFYWTLE-UHFFFAOYSA-N 0 0 359.385 2.786 50 5 FFBARN COc1ccccc1/C=C1/N=C(c2cc([N+](=O)[O-])ccc2OC)OC1=O ZINC000002941848 506303588 /nfs/dbraw/zinc/30/35/88/506303588.db2.gz VHKMIDRRHDNOJR-NTEUORMPSA-N 0 0 354.318 2.957 50 5 FFBARN CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000003131816 506311271 /nfs/dbraw/zinc/31/12/71/506311271.db2.gz GKJAVKYPUCNKAQ-UHFFFAOYSA-N 0 0 350.352 2.629 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cccs1 ZINC000003247210 506315265 /nfs/dbraw/zinc/31/52/65/506315265.db2.gz RPQOZNUNJVDZQN-VIFPVBQESA-N 0 0 350.352 2.849 50 5 FFBARN O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1nccs1 ZINC000033004122 506323620 /nfs/dbraw/zinc/32/36/20/506323620.db2.gz UPZYSFFUEYBBQA-UHFFFAOYSA-N 0 0 363.380 2.832 50 5 FFBARN Cc1c(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] ZINC000003444346 506330974 /nfs/dbraw/zinc/33/09/74/506330974.db2.gz BYIJPDZLRANBQP-LLVKDONJSA-N 0 0 372.333 2.816 50 5 FFBARN COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2ccc([N+](=O)[O-])cc2)N1 ZINC000034792224 506370818 /nfs/dbraw/zinc/37/08/18/506370818.db2.gz PMTFLAWFQMHLPS-DLBZAZTESA-N 0 0 351.362 2.853 50 5 FFBARN CCCCN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000004504731 506379212 /nfs/dbraw/zinc/37/92/12/506379212.db2.gz HXZZPKLZSWGFKM-GFCCVEGCSA-N 0 0 374.846 2.678 50 5 FFBARN COc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000004547809 506381294 /nfs/dbraw/zinc/38/12/94/506381294.db2.gz PZKNOFLTFPAVAU-UHFFFAOYSA-N 0 0 361.379 2.739 50 5 FFBARN O=C(/N=S(\c1ccc([N+](=O)[O-])cc1)N1CCOCC1)c1ccccc1 ZINC000004566432 506382900 /nfs/dbraw/zinc/38/29/00/506382900.db2.gz DSIPGUFAZKKWDE-UHFFFAOYSA-N 0 0 359.407 2.843 50 5 FFBARN COc1ccc(N2C[C@H](C(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2=O)cc1 ZINC000004810651 506395393 /nfs/dbraw/zinc/39/53/93/506395393.db2.gz VHACDOGHTZMDTR-CYBMUJFWSA-N 0 0 369.377 2.903 50 5 FFBARN O=C(c1ccc(F)c(F)c1)N1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000004819017 506396610 /nfs/dbraw/zinc/39/66/10/506396610.db2.gz XDMBTRVEOYZCLL-UHFFFAOYSA-N 0 0 365.311 2.975 50 5 FFBARN CCC(=O)Nc1ccccc1C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000004865426 506401359 /nfs/dbraw/zinc/40/13/59/506401359.db2.gz BIFBLDNMPJYXFG-UHFFFAOYSA-N 0 0 356.334 2.983 50 5 FFBARN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Oc2ccc(C)nc2[N+](=O)[O-])c1C ZINC000004892280 506402149 /nfs/dbraw/zinc/40/21/49/506402149.db2.gz PDWXFNJCERRSAF-NSHDSACASA-N 0 0 361.354 2.680 50 5 FFBARN COc1cc(OC)cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000004901135 506404599 /nfs/dbraw/zinc/40/45/99/506404599.db2.gz USKUPAZOICTJRU-UHFFFAOYSA-N 0 0 371.393 2.574 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)/C=C/c1ccco1 ZINC000004966350 506409973 /nfs/dbraw/zinc/40/99/73/506409973.db2.gz OPMXSIXCOQQFQO-IOCXFXADSA-N 0 0 360.322 2.780 50 5 FFBARN Cc1[nH]c2ccccc2c1[C@]1(O)c2cc([N+](=O)[O-])cc(C)c2N(C)C1=O ZINC000005059935 506419804 /nfs/dbraw/zinc/41/98/04/506419804.db2.gz XVOZWWNOGCQLKX-LJQANCHMSA-N 0 0 351.362 2.905 50 5 FFBARN COc1ccc(OC)c(-c2ccc(=O)n(Cc3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000005409630 506441388 /nfs/dbraw/zinc/44/13/88/506441388.db2.gz NQVFDHOZKZSTJC-UHFFFAOYSA-N 0 0 367.361 2.884 50 5 FFBARN Cc1nn(CCC2N=NC(=S)N2Cc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000005433625 506442801 /nfs/dbraw/zinc/44/28/01/506442801.db2.gz OMSNSKWKSRBRAT-UHFFFAOYSA-N 0 0 358.427 2.579 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccc(-n2cccn2)cc1 ZINC000040130833 506471922 /nfs/dbraw/zinc/47/19/22/506471922.db2.gz MQRVMUYRQNHENH-UHFFFAOYSA-N 0 0 352.350 2.970 50 5 FFBARN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@H]1CCCc2ccccc21 ZINC000006231905 506473202 /nfs/dbraw/zinc/47/32/02/506473202.db2.gz JANOUNNGYZQEKN-SFHVURJKSA-N 0 0 367.405 2.909 50 5 FFBARN Cc1nc(-c2cccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)c2)n[nH]1 ZINC000040152672 506475240 /nfs/dbraw/zinc/47/52/40/506475240.db2.gz BQPWAVKSDSMLCD-UHFFFAOYSA-N 0 0 373.394 2.798 50 5 FFBARN COc1ccc(N2C(=O)C[C@@H](Nc3cc(C)ccc3C)C2=O)c([N+](=O)[O-])c1 ZINC000006331528 506477935 /nfs/dbraw/zinc/47/79/35/506477935.db2.gz XEDUUWVZSSPUND-OAHLLOKOSA-N 0 0 369.377 2.964 50 5 FFBARN COC(=O)c1ccc(O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000006404814 506480522 /nfs/dbraw/zinc/48/05/22/506480522.db2.gz MMHARGKHJJNSDN-LLVKDONJSA-N 0 0 374.349 2.796 50 5 FFBARN CNS(=O)(=O)c1ccc(N(C)[C@@H]2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000042619965 506642320 /nfs/dbraw/zinc/64/23/20/506642320.db2.gz QMSYZEJNNJEYSO-OAHLLOKOSA-N 0 0 361.423 2.627 50 5 FFBARN COC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000009387400 506696073 /nfs/dbraw/zinc/69/60/73/506696073.db2.gz CTMGTIPZTLEQTH-QGZVFWFLSA-N 0 0 354.362 2.643 50 5 FFBARN COc1ccccc1NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000009515912 506701717 /nfs/dbraw/zinc/70/17/17/506701717.db2.gz KLEDRJPEPMLETR-UHFFFAOYSA-N 0 0 371.349 2.930 50 5 FFBARN Cc1cc(NC(=O)[C@H](c2ccccc2)n2nc(C)c([N+](=O)[O-])c2C)no1 ZINC000010214884 506731881 /nfs/dbraw/zinc/73/18/81/506731881.db2.gz UVGGINHZSMDCAF-INIZCTEOSA-N 0 0 355.354 2.933 50 5 FFBARN COc1ccc(NC(=O)[C@]2(C)Cc3ccccc3C(=O)O2)c([N+](=O)[O-])c1 ZINC000012292949 506844379 /nfs/dbraw/zinc/84/43/79/506844379.db2.gz HWPKHOXDOFYEDE-SFHVURJKSA-N 0 0 356.334 2.714 50 5 FFBARN Cc1cccc(C(=O)N2CCC[C@H](C(=O)Nc3ccccn3)C2)c1[N+](=O)[O-] ZINC000047237148 507288822 /nfs/dbraw/zinc/28/88/22/507288822.db2.gz CZCAGSJEPUJQBI-AWEZNQCLSA-N 0 0 368.393 2.789 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CCn1c(=O)oc2ccccc21 ZINC000022862670 507317062 /nfs/dbraw/zinc/31/70/62/507317062.db2.gz GODGDPOVIHWLHH-UHFFFAOYSA-N 0 0 357.322 2.540 50 5 FFBARN O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NCCOc2ccc(F)cc2)c1 ZINC000023143461 507333700 /nfs/dbraw/zinc/33/37/00/507333700.db2.gz NBDXWITYRSBVAV-UHFFFAOYSA-N 0 0 374.777 2.745 50 5 FFBARN CCN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cccc(S(C)(=O)=O)c1 ZINC000047547676 507355207 /nfs/dbraw/zinc/35/52/07/507355207.db2.gz WXHRCEGNQGTEGN-UHFFFAOYSA-N 0 0 362.407 2.661 50 5 FFBARN CCCCc1oc2ccccc2c1CN(C)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000058052604 507367332 /nfs/dbraw/zinc/36/73/32/507367332.db2.gz FWPQQEPMXHOBAQ-UHFFFAOYSA-N 0 0 371.397 2.934 50 5 FFBARN COc1ccc(CCNC(=O)COc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000025098709 507467374 /nfs/dbraw/zinc/46/73/74/507467374.db2.gz KBUSRONNYFTGBC-UHFFFAOYSA-N 0 0 364.785 2.995 50 5 FFBARN CC(C)(C)OC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000072481736 507798424 /nfs/dbraw/zinc/79/84/24/507798424.db2.gz RASQJXBIQRHSRB-UHFFFAOYSA-N 0 0 369.805 2.941 50 5 FFBARN COc1cc(C(=O)Nc2cc(C)ncn2)c([N+](=O)[O-])cc1OC(F)F ZINC000095401688 508184173 /nfs/dbraw/zinc/18/41/73/508184173.db2.gz IXOXKNVJAPEGJW-UHFFFAOYSA-N 0 0 354.269 2.556 50 5 FFBARN CCOC(=O)CCN(Cc1cccnc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000095462244 508187291 /nfs/dbraw/zinc/18/72/91/508187291.db2.gz RYPGYBDXLNYCOL-UHFFFAOYSA-N 0 0 372.381 2.977 50 5 FFBARN COC(=O)c1cccc(NC(=O)CN2CCCc3c([N+](=O)[O-])cccc32)c1 ZINC000089406942 522223832 /nfs/dbraw/zinc/22/38/32/522223832.db2.gz CISCEDWYEJEFLN-UHFFFAOYSA-N 0 0 369.377 2.773 50 5 FFBARN Cc1nnc(SCCn2cc([N+](=O)[O-])ccc2=O)n1-c1ccccc1C ZINC000089697058 526385521 /nfs/dbraw/zinc/38/55/21/526385521.db2.gz DJUPQDDMTBLQDX-UHFFFAOYSA-N 0 0 371.422 2.746 50 5 FFBARN CCN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000047608146 570893082 /nfs/dbraw/zinc/89/30/82/570893082.db2.gz PQITVPCOANDADM-OKILXGFUSA-N 0 0 355.460 2.639 50 5 FFBARN Cc1cccn2cc(CNC(=O)c3cc([N+](=O)[O-])ccc3N(C)C)nc12 ZINC000078596529 571212452 /nfs/dbraw/zinc/21/24/52/571212452.db2.gz ZWPCGWUILWIGMK-UHFFFAOYSA-N 0 0 353.382 2.547 50 5 FFBARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000002831268 966389595 /nfs/dbraw/zinc/38/95/95/966389595.db2.gz GQMMCGGEGLZMNF-SXSDINLZSA-N 0 0 354.362 2.509 50 5 FFBARN CCC(=O)Nc1ccccc1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001164920 219384145 /nfs/dbraw/zinc/38/41/45/219384145.db2.gz JWKDQMFMASXOJI-UHFFFAOYSA-N 0 0 356.334 2.983 50 5 FFBARN CC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001183983 219386400 /nfs/dbraw/zinc/38/64/00/219386400.db2.gz ZQNFVGKGUPZBEW-UHFFFAOYSA-N 0 0 358.379 2.680 50 5 FFBARN COCCC1(CNc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CCCC1 ZINC000225822440 222872098 /nfs/dbraw/zinc/87/20/98/222872098.db2.gz KCEFGSRMQREQBQ-UHFFFAOYSA-N 0 0 362.430 2.794 50 5 FFBARN O=[N+]([O-])C1(Br)CC2CC(C1)CC(Br)([N+](=O)[O-])C2 ZINC000002028673 219424099 /nfs/dbraw/zinc/42/40/99/219424099.db2.gz QTCHKPTZWKEOEH-UHFFFAOYSA-N 0 0 372.013 2.932 50 5 FFBARN CCc1c(C)sc2ncn3nc(Cn4nc(C)c([N+](=O)[O-])c4C)nc3c12 ZINC000002809036 219468218 /nfs/dbraw/zinc/46/82/18/219468218.db2.gz SNXCVYUYDWMUIR-UHFFFAOYSA-N 0 0 371.426 2.980 50 5 FFBARN C[C@@H](OC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003237428 219493843 /nfs/dbraw/zinc/49/38/43/219493843.db2.gz PJAOFMOGBOGEOF-SNVBAGLBSA-N 0 0 358.306 2.508 50 5 FFBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000003407203 219507850 /nfs/dbraw/zinc/50/78/50/219507850.db2.gz MWUZMCTYZYVMQS-CYBMUJFWSA-N 0 0 357.341 2.721 50 5 FFBARN O=C1C=C(c2ccc(F)cc2)OCN1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004174663 219552361 /nfs/dbraw/zinc/55/23/61/219552361.db2.gz AALGFUUJXSXHJI-UHFFFAOYSA-N 0 0 374.284 2.826 50 5 FFBARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1ccc(F)c([N+](=O)[O-])c1 ZINC000011161010 219916818 /nfs/dbraw/zinc/91/68/18/219916818.db2.gz PBZGYUCGDHESBK-NSHDSACASA-N 0 0 372.356 2.910 50 5 FFBARN COc1cc(/C=C/C(=O)NC[C@H]2CCCO2)c([N+](=O)[O-])cc1OC(F)F ZINC000012824928 220034623 /nfs/dbraw/zinc/03/46/23/220034623.db2.gz TZXOEWRVZNDTDO-SGUJLRQBSA-N 0 0 372.324 2.513 50 5 FFBARN C[C@@H](OC(=O)[C@@H]1COc2ccccc2C1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000016293429 220182540 /nfs/dbraw/zinc/18/25/40/220182540.db2.gz STDQQYVZASSCNS-OCCSQVGLSA-N 0 0 370.361 2.716 50 5 FFBARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000018100133 220223917 /nfs/dbraw/zinc/22/39/17/220223917.db2.gz HAOGXWHBBMVDFV-UHFFFAOYSA-N 0 0 372.768 2.757 50 5 FFBARN COc1ccc(C(=O)CSc2n[nH]c(-c3ccco3)n2)cc1[N+](=O)[O-] ZINC000018136938 220224682 /nfs/dbraw/zinc/22/46/82/220224682.db2.gz NVFXBYVTLSRIRQ-UHFFFAOYSA-N 0 0 360.351 2.957 50 5 FFBARN CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)O[C@H]1COc1cccc(C)c1 ZINC000021092377 220350612 /nfs/dbraw/zinc/35/06/12/220350612.db2.gz GGZNDEPKFUXQAA-KRWDZBQOSA-N 0 0 355.350 2.849 50 5 FFBARN C[C@@H](Sc1nncn1Cc1ccco1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000022193491 220378438 /nfs/dbraw/zinc/37/84/38/220378438.db2.gz RGNKMIGKUZTKFO-LLVKDONJSA-N 0 0 373.394 2.947 50 5 FFBARN COc1ccc(N2C(=O)/C(=C\c3ccc[nH]3)N(C)C2=S)c([N+](=O)[O-])c1 ZINC000022625675 220392110 /nfs/dbraw/zinc/39/21/10/220392110.db2.gz KOXMKLAAXRSFBB-RIYZIHGNSA-N 0 0 358.379 2.536 50 5 FFBARN Cc1c(Cl)cc(S(=O)(=O)N(C[C@H]2CCOC2)C2CC2)cc1[N+](=O)[O-] ZINC000032469294 220662609 /nfs/dbraw/zinc/66/26/09/220662609.db2.gz PHSNJNYXBAHONP-LLVKDONJSA-N 0 0 374.846 2.746 50 5 FFBARN O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000048331445 221007809 /nfs/dbraw/zinc/00/78/09/221007809.db2.gz JKLXBYNPXNNMMT-ZWKOTPCHSA-N 0 0 362.389 2.821 50 5 FFBARN COC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000048366847 221011601 /nfs/dbraw/zinc/01/16/01/221011601.db2.gz ZZQPMVATNKUTNW-VIFPVBQESA-N 0 0 356.338 2.724 50 5 FFBARN Cc1c(C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000048956394 221015674 /nfs/dbraw/zinc/01/56/74/221015674.db2.gz OCLMRJYGNSJFLQ-KRWDZBQOSA-N 0 0 367.405 2.997 50 5 FFBARN C[C@@H](Nc1ccc(CC(=O)N(C)C)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000056171544 221078091 /nfs/dbraw/zinc/07/80/91/221078091.db2.gz OOLORNRLAXTBMW-CYBMUJFWSA-N 0 0 370.409 2.665 50 5 FFBARN Cc1nc(NCCCn2ccnc2)nc(NCc2ccco2)c1[N+](=O)[O-] ZINC000056905991 221082234 /nfs/dbraw/zinc/08/22/34/221082234.db2.gz YNTAOLHFISPDOO-UHFFFAOYSA-N 0 0 357.374 2.597 50 5 FFBARN COCCN1C(=O)[C@@H](Oc2ccc(F)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000058085174 221098322 /nfs/dbraw/zinc/09/83/22/221098322.db2.gz PVHVWPYMSZGGGR-IRXDYDNUSA-N 0 0 360.341 2.711 50 5 FFBARN COc1ccc(N(C)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cn1 ZINC000058356315 221115843 /nfs/dbraw/zinc/11/58/43/221115843.db2.gz MEGLZYSABKTJFK-UHFFFAOYSA-N 0 0 356.382 2.875 50 5 FFBARN CC[C@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C12CC3CC(CC(C3)C1)C2 ZINC000065478488 221224382 /nfs/dbraw/zinc/22/43/82/221224382.db2.gz JLYMRUOSSURKPY-SOZFHFLDSA-N 0 0 373.453 2.868 50 5 FFBARN Cc1ncccc1NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000072305552 221460530 /nfs/dbraw/zinc/46/05/30/221460530.db2.gz GYQOYBCEHRNBQP-UHFFFAOYSA-N 0 0 356.338 2.625 50 5 FFBARN CCCN1CCN(C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000008341489 132260042 /nfs/dbraw/zinc/26/00/42/132260042.db2.gz AVTHIVMCXVRDHM-INIZCTEOSA-N 0 0 374.485 2.999 50 5 FFBARN NC(=O)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1N1CCCCC1 ZINC000002878527 132384325 /nfs/dbraw/zinc/38/43/25/132384325.db2.gz KTUDQRFWRTURBT-UHFFFAOYSA-N 0 0 368.393 2.936 50 5 FFBARN O=C1[C@H]2ON=C(c3ccc([N+](=O)[O-])cc3)C2=C(O)N1c1ccc(Cl)cc1 ZINC000100903922 222256318 /nfs/dbraw/zinc/25/63/18/222256318.db2.gz TXQJNUPPOMOQKK-HIFRSBDPSA-N 0 0 371.736 2.541 50 5 FFBARN O=C(N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000106527182 222386076 /nfs/dbraw/zinc/38/60/76/222386076.db2.gz NPTGIHFGCGXZJM-YXJHDRRASA-N 0 0 368.368 2.698 50 5 FFBARN COc1ccc(C)cc1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000009643749 263362438 /nfs/dbraw/zinc/36/24/38/263362438.db2.gz DUAJOCCPJIFNKC-UHFFFAOYSA-N 0 0 353.338 2.745 50 5 FFBARN O=C(COc1cccc([N+](=O)[O-])c1)NCCCc1nc2ccccc2[nH]1 ZINC000028938286 263390442 /nfs/dbraw/zinc/39/04/42/263390442.db2.gz FHMCCXQRIYKRTH-UHFFFAOYSA-N 0 0 354.366 2.599 50 5 FFBARN CCOc1ccc(C(=O)NC(=S)Nc2cc(C)ccn2)cc1[N+](=O)[O-] ZINC000001174335 506251708 /nfs/dbraw/zinc/25/17/08/506251708.db2.gz ONLCRVHXXZVMIE-UHFFFAOYSA-N 0 0 360.395 2.824 50 5 FFBARN COC(=O)c1ccccc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000001181264 506254025 /nfs/dbraw/zinc/25/40/25/506254025.db2.gz VVTUNMLLUZHRFW-UHFFFAOYSA-N 0 0 373.390 2.817 50 5 FFBARN O=C(OCc1nnc(-c2ccccc2)o1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000032724194 506283661 /nfs/dbraw/zinc/28/36/61/506283661.db2.gz YXLZQVYJHFQBQU-UHFFFAOYSA-N 0 0 369.289 2.731 50 5 FFBARN CC[C@H](C)C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000002847797 506296936 /nfs/dbraw/zinc/29/69/36/506296936.db2.gz QKSQHYHIOGYKRK-VIFPVBQESA-N 0 0 369.424 2.869 50 5 FFBARN Cc1ccc(SCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000002872408 506299991 /nfs/dbraw/zinc/29/99/91/506299991.db2.gz MAKKGOWVDKTEGB-UHFFFAOYSA-N 0 0 352.437 2.974 50 5 FFBARN CCC(CC)CN(CC(=O)OC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000032916525 506313369 /nfs/dbraw/zinc/31/33/69/506313369.db2.gz HCYBVZJMTXCPCV-UHFFFAOYSA-N 0 0 372.443 2.503 50 5 FFBARN Cc1cc(C(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c(C)n1C[C@H]1CCCO1 ZINC000003446149 506332898 /nfs/dbraw/zinc/33/28/98/506332898.db2.gz SOISTCMZBZSBBV-OAHLLOKOSA-N 0 0 360.414 2.888 50 5 FFBARN Cc1noc(C)c1[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000033086876 506334356 /nfs/dbraw/zinc/33/43/56/506334356.db2.gz IRJNAAZVVZCTEP-AWEZNQCLSA-N 0 0 351.384 2.725 50 5 FFBARN O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000003600575 506346451 /nfs/dbraw/zinc/34/64/51/506346451.db2.gz JVSRRVCVRQPUBJ-LJQANCHMSA-N 0 0 351.362 2.878 50 5 FFBARN CN1C(=O)c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])s3)cc2C1=O ZINC000004079250 506357304 /nfs/dbraw/zinc/35/73/04/506357304.db2.gz VCDHYGXUMVUBGB-ZZXKWVIFSA-N 0 0 357.347 2.534 50 5 FFBARN Cc1nc(N2CCOCC2)nc(Nc2ccc(F)cc2F)c1[N+](=O)[O-] ZINC000004143213 506362810 /nfs/dbraw/zinc/36/28/10/506362810.db2.gz YHAQZMZRZCFCBB-UHFFFAOYSA-N 0 0 351.313 2.552 50 5 FFBARN Cc1ccc(N2C[C@H](NC(=O)c3ccccc3[N+](=O)[O-])CC2=O)cc1C ZINC000004497021 506377666 /nfs/dbraw/zinc/37/76/66/506377666.db2.gz UFBOURGUGADEMV-CQSZACIVSA-N 0 0 353.378 2.747 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)Cn1ccc2ccccc2c1=O ZINC000004563220 506382973 /nfs/dbraw/zinc/38/29/73/506382973.db2.gz GLLWBTCBVMSCQC-UHFFFAOYSA-N 0 0 353.334 2.557 50 5 FFBARN COc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000004733259 506392164 /nfs/dbraw/zinc/39/21/64/506392164.db2.gz PBAFZRYSUKIANY-UHFFFAOYSA-N 0 0 357.366 2.692 50 5 FFBARN CCN1c2ccc([N+](=O)[O-])cc2[C@@](O)(CC(=O)c2ccc(F)cc2)C1=O ZINC000005013646 506414363 /nfs/dbraw/zinc/41/43/63/506414363.db2.gz XCJZWQGDTOQNQW-SFHVURJKSA-N 0 0 358.325 2.561 50 5 FFBARN O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1ccc([N+](=O)[O-])cc1 ZINC000005027799 506416089 /nfs/dbraw/zinc/41/60/89/506416089.db2.gz TZFLVJABSLZUAB-UHFFFAOYSA-N 0 0 361.741 2.612 50 5 FFBARN Cc1ccc(NC(=O)CSc2nnnn2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000005042639 506417799 /nfs/dbraw/zinc/41/77/99/506417799.db2.gz QVGDDVWSITUGIE-UHFFFAOYSA-N 0 0 370.394 2.610 50 5 FFBARN COc1ccc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] ZINC000005577529 506449495 /nfs/dbraw/zinc/44/94/95/506449495.db2.gz WSIFKKPIIVSLNR-UHFFFAOYSA-N 0 0 362.338 2.882 50 5 FFBARN Cc1nc(-c2c[nH]c(C(=O)NC[C@@H](O)c3ccc([N+](=O)[O-])cc3)c2)cs1 ZINC000040012863 506458095 /nfs/dbraw/zinc/45/80/95/506458095.db2.gz UYKKSYIMAXUXAH-MRXNPFEDSA-N 0 0 372.406 2.818 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(C(C)C)[nH]1 ZINC000005862163 506459916 /nfs/dbraw/zinc/45/99/16/506459916.db2.gz VKCKRUGCNLMNSR-UHFFFAOYSA-N 0 0 351.388 2.576 50 5 FFBARN O=C(Cc1c[nH]c2ccccc12)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000005895430 506461875 /nfs/dbraw/zinc/46/18/75/506461875.db2.gz LGLLUFITDKFRNK-UHFFFAOYSA-N 0 0 364.405 2.967 50 5 FFBARN O=C(Cn1cc(Br)c([N+](=O)[O-])n1)Nc1cccc(Cl)c1 ZINC000040445608 506483208 /nfs/dbraw/zinc/48/32/08/506483208.db2.gz RHTNHLNLQNMDSL-UHFFFAOYSA-N 0 0 359.567 2.846 50 5 FFBARN COc1cccc(C(=O)OCC(=O)Nc2cc(OC)c([N+](=O)[O-])cc2C)c1 ZINC000006604427 506490671 /nfs/dbraw/zinc/49/06/71/506490671.db2.gz IZILSZUVMZMIGE-UHFFFAOYSA-N 0 0 374.349 2.716 50 5 FFBARN CCCCCCn1c(=O)[nH]c2nc3cc(NC(=O)CC)ccc3nc2c1=O ZINC000006733132 506502376 /nfs/dbraw/zinc/50/23/76/506502376.db2.gz BMEBCTKUSFQMOV-UHFFFAOYSA-N 0 0 369.425 2.562 50 5 FFBARN O=C(Nc1ccccc1[N+](=O)[O-])c1cc2ncc(Br)cn2n1 ZINC000006926978 506517072 /nfs/dbraw/zinc/51/70/72/506517072.db2.gz JVYKTLORYAOARW-UHFFFAOYSA-N 0 0 362.143 2.652 50 5 FFBARN CCOc1ccc(OCCn2cnc3ccc([N+](=O)[O-])cc3c2=O)cc1 ZINC000007005836 506525497 /nfs/dbraw/zinc/52/54/97/506525497.db2.gz GGGORGGWCUXQHP-UHFFFAOYSA-N 0 0 355.350 2.782 50 5 FFBARN CCOC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000007552111 506569797 /nfs/dbraw/zinc/56/97/97/506569797.db2.gz XJYPUWTXLHFHQG-CYBMUJFWSA-N 0 0 369.830 2.946 50 5 FFBARN C[C@@H]1Oc2ccc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])cc2NC1=O ZINC000008014267 506613818 /nfs/dbraw/zinc/61/38/18/506613818.db2.gz ZGDNMUOFPATBPP-LAHYYIKRSA-N 0 0 353.334 2.966 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1C(=O)NCCn1c(C)nc2ccccc21 ZINC000008135700 506625298 /nfs/dbraw/zinc/62/52/98/506625298.db2.gz IAHYQEXHAAZERQ-UHFFFAOYSA-N 0 0 354.366 2.692 50 5 FFBARN Cc1cnc(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cn1 ZINC000008143772 506625974 /nfs/dbraw/zinc/62/59/74/506625974.db2.gz OIWIHQTXDHHHGN-UHFFFAOYSA-N 0 0 369.303 2.554 50 5 FFBARN CCNC(=O)[C@H]1Cc2ccccc2N1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000010256052 506734003 /nfs/dbraw/zinc/73/40/03/506734003.db2.gz YWNNLKDIXBISSD-MRXNPFEDSA-N 0 0 373.796 2.956 50 5 FFBARN Cc1ccc(OCC(=O)Nc2ccc(OC(F)F)cc2)c([N+](=O)[O-])n1 ZINC000013285267 506936317 /nfs/dbraw/zinc/93/63/17/506936317.db2.gz FRKFSPWQPNRMGL-UHFFFAOYSA-N 0 0 353.281 2.917 50 5 FFBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000023053876 507326914 /nfs/dbraw/zinc/32/69/14/507326914.db2.gz IYCASLIKKATXCH-ZDUSSCGKSA-N 0 0 357.366 2.987 50 5 FFBARN COc1ccc(CN2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000024118269 507394668 /nfs/dbraw/zinc/39/46/68/507394668.db2.gz VFBXHOXXKPRHQN-UHFFFAOYSA-N 0 0 355.394 2.561 50 5 FFBARN O=C(NCc1ccccn1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]12 ZINC000024536508 507418230 /nfs/dbraw/zinc/41/82/30/507418230.db2.gz CITKAHJLPPLHFL-HKUYNNGSSA-N 0 0 366.421 2.837 50 5 FFBARN COc1cc(NC(C)=O)c(C(=O)OCc2ccccc2[N+](=O)[O-])cc1OC ZINC000025121421 507469419 /nfs/dbraw/zinc/46/94/19/507469419.db2.gz MJZMTKGYGUCTSV-UHFFFAOYSA-N 0 0 374.349 2.927 50 5 FFBARN CC(=O)N1CCc2cc(C(=O)N(C)Cc3cccc([N+](=O)[O-])c3)ccc21 ZINC000025254803 507480764 /nfs/dbraw/zinc/48/07/64/507480764.db2.gz CBHVLYZMYLOCID-UHFFFAOYSA-N 0 0 353.378 2.776 50 5 FFBARN COC(=O)[C@H]1CCC[C@@H]1NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000079066057 507929944 /nfs/dbraw/zinc/92/99/44/507929944.db2.gz HAFUARRUPOPNEI-UWVGGRQHSA-N 0 0 373.312 2.659 50 5 FFBARN O=C(NC[C@H](O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000095451793 508185777 /nfs/dbraw/zinc/18/57/77/508185777.db2.gz BMZABUPGGHWBCL-INIZCTEOSA-N 0 0 355.325 2.746 50 5 FFBARN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C[C@@H](NC(N)=O)c1cccs1)CC2 ZINC000095459639 508186713 /nfs/dbraw/zinc/18/67/13/508186713.db2.gz HCJMPMWRFHXGDV-GFCCVEGCSA-N 0 0 374.422 2.654 50 5 FFBARN CCOC(=O)C(C)(C(=O)OCC)c1ccc([N+](=O)[O-])cc1Br ZINC000116850486 508568015 /nfs/dbraw/zinc/56/80/15/508568015.db2.gz KMTCLWUMAULDAN-UHFFFAOYSA-N 0 0 374.187 2.741 50 5 FFBARN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCOC2(CCC2)C1 ZINC000159469868 508846816 /nfs/dbraw/zinc/84/68/16/508846816.db2.gz BVMIMQAORNPTJX-UHFFFAOYSA-N 0 0 357.313 2.983 50 5 FFBARN Cn1cccc1[C@@H]1COCCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000163938171 509444621 /nfs/dbraw/zinc/44/46/21/509444621.db2.gz GXJGSCFEOMHWAZ-SFHVURJKSA-N 0 0 370.409 2.721 50 5 FFBARN COc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)N2CCCC2=O)cc1 ZINC000031752480 518143922 /nfs/dbraw/zinc/14/39/22/518143922.db2.gz MSTZEXZXVCHFJW-UHFFFAOYSA-N 0 0 370.361 2.798 50 5 FFBARN C/C=C(/C(=O)OCc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O ZINC000000689861 219314069 /nfs/dbraw/zinc/31/40/69/219314069.db2.gz NXGYZDFEJQLMRA-CFZMTHNTSA-N 0 0 366.329 2.838 50 5 FFBARN O=C(CCC1CCCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000000779551 219318864 /nfs/dbraw/zinc/31/88/64/219318864.db2.gz HYUAXEKSVNIREO-UHFFFAOYSA-N 0 0 359.426 2.850 50 5 FFBARN COc1ccc(OC)c(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])c1 ZINC000000851731 219330595 /nfs/dbraw/zinc/33/05/95/219330595.db2.gz GIRPOJOFUQRBDZ-UHFFFAOYSA-N 0 0 362.338 2.882 50 5 FFBARN O=C(Nc1cccnc1)c1cc(C(=O)Nc2cccnc2)cc([N+](=O)[O-])c1 ZINC000000851637 219331048 /nfs/dbraw/zinc/33/10/48/219331048.db2.gz CIEQIXCKHCPMGN-UHFFFAOYSA-N 0 0 363.333 2.889 50 5 FFBARN CCOC(=O)c1c(C)c(C)sc1NC(=O)Cn1nc([N+](=O)[O-])cc1C ZINC000000845092 219329598 /nfs/dbraw/zinc/32/95/98/219329598.db2.gz ACEJDFDKPLXIRT-UHFFFAOYSA-N 0 0 366.399 2.593 50 5 FFBARN CC1(C)c2ccccc2N(CC(N)=O)[C@@]12C=Cc1cc([N+](=O)[O-])ccc1O2 ZINC000001097741 219368078 /nfs/dbraw/zinc/36/80/78/219368078.db2.gz XABQINSAZCFVGT-HXUWFJFHSA-N 0 0 365.389 2.980 50 5 FFBARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000001125339 219375422 /nfs/dbraw/zinc/37/54/22/219375422.db2.gz JTXCACZCFMAOAR-UHFFFAOYSA-N 0 0 374.349 2.959 50 5 FFBARN COC(=O)c1ccccc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000001157126 219382517 /nfs/dbraw/zinc/38/25/17/219382517.db2.gz WOICTZPCOYIIQD-UHFFFAOYSA-N 0 0 359.363 2.508 50 5 FFBARN O=C(Nc1cc2cccc([N+](=O)[O-])c2oc1=O)c1ccc([N+](=O)[O-])cc1 ZINC000004423172 219575563 /nfs/dbraw/zinc/57/55/63/219575563.db2.gz ARLBMOXREALSAQ-UHFFFAOYSA-N 0 0 355.262 2.862 50 5 FFBARN CC(C)CN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000004504736 219581236 /nfs/dbraw/zinc/58/12/36/219581236.db2.gz VTXWKGZIJTYWBF-LBPRGKRZSA-N 0 0 374.846 2.534 50 5 FFBARN NC(=S)Nc1c(Br)cc([N+](=O)[O-])cc1Br ZINC000005092674 219649941 /nfs/dbraw/zinc/64/99/41/219649941.db2.gz PLMPJKISULNZGB-UHFFFAOYSA-N 0 0 355.011 2.775 50 5 FFBARN CCS(=O)(=O)c1ccc(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000005241838 219663975 /nfs/dbraw/zinc/66/39/75/219663975.db2.gz CXFRIFOLUCHBOH-UHFFFAOYSA-N 0 0 364.379 2.649 50 5 FFBARN Cc1cccc(Cn2cccc(C(=O)Nc3ncc([N+](=O)[O-])s3)c2=O)c1 ZINC000005269769 219667093 /nfs/dbraw/zinc/66/70/93/219667093.db2.gz CZPVJRIKIUAIOY-UHFFFAOYSA-N 0 0 370.390 2.822 50 5 FFBARN COc1cc(OC)c(OC)cc1CNc1nc2sccn2c1[N+](=O)[O-] ZINC000008374930 219861409 /nfs/dbraw/zinc/86/14/09/219861409.db2.gz KKYLWJJXSHXPGX-UHFFFAOYSA-N 0 0 364.383 2.942 50 5 FFBARN CC(=O)N/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)N(C)Cc1ccccc1 ZINC000012137711 219958676 /nfs/dbraw/zinc/95/86/76/219958676.db2.gz NNTGRSLZYVEVIO-PDGQHHTCSA-N 0 0 353.378 2.730 50 5 FFBARN C[C@@H](Sc1nnnn1C1CCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000012765628 220027030 /nfs/dbraw/zinc/02/70/30/220027030.db2.gz VRXMLUVDYJFFBT-SNVBAGLBSA-N 0 0 362.415 2.816 50 5 FFBARN COC(=O)c1cc(C(=O)NCc2nccc3ccccc32)cc([N+](=O)[O-])c1 ZINC000014387416 220123473 /nfs/dbraw/zinc/12/34/73/220123473.db2.gz SBZLUBPPXJTPLB-UHFFFAOYSA-N 0 0 365.345 2.860 50 5 FFBARN Cc1ccn2c(=O)cc(COC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)nc2c1 ZINC000014754041 220132499 /nfs/dbraw/zinc/13/24/99/220132499.db2.gz CTXABLWUTNOQIB-UHFFFAOYSA-N 0 0 373.752 2.922 50 5 FFBARN COC(=O)C1CCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000015413020 220154115 /nfs/dbraw/zinc/15/41/15/220154115.db2.gz PIXUGZRHZKHPMJ-LLVKDONJSA-N 0 0 360.370 2.591 50 5 FFBARN COC(=O)c1cc(C(=O)OCc2cn3cccc(C)c3n2)cc([N+](=O)[O-])c1 ZINC000016209911 220179781 /nfs/dbraw/zinc/17/97/81/220179781.db2.gz HIHFODAWWOBRLW-UHFFFAOYSA-N 0 0 369.333 2.695 50 5 FFBARN O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000016089708 220177270 /nfs/dbraw/zinc/17/72/70/220177270.db2.gz GRJJNDYFYFMKBC-UHFFFAOYSA-N 0 0 351.336 2.524 50 5 FFBARN CN(Cc1ccccc1)C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000017334526 220213822 /nfs/dbraw/zinc/21/38/22/220213822.db2.gz YUPPCORSGUSZNJ-UHFFFAOYSA-N 0 0 369.377 2.942 50 5 FFBARN Cc1ccccc1NC(=O)[C@H](c1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000020169470 220318754 /nfs/dbraw/zinc/31/87/54/220318754.db2.gz JKHBSPQQKUMPNS-SFHVURJKSA-N 0 0 355.394 2.915 50 5 FFBARN COc1cc2c(cc1OC)[C@H](c1cc3c(cc1[N+](=O)[O-])OCO3)NCC2 ZINC000022204769 220378498 /nfs/dbraw/zinc/37/84/98/220378498.db2.gz DDEZIWSQYMTURV-GOSISDBHSA-N 0 0 358.350 2.576 50 5 FFBARN CN(C)c1ccc(C(=O)Nc2ccc(N3CCCC3)nc2)cc1[N+](=O)[O-] ZINC000022388533 220384975 /nfs/dbraw/zinc/38/49/75/220384975.db2.gz TWIJAYLKXLJKDR-UHFFFAOYSA-N 0 0 355.398 2.908 50 5 FFBARN COc1ccc(N2C(=O)/C(=C\c3ccco3)N(C)C2=S)c([N+](=O)[O-])c1 ZINC000022628758 220392734 /nfs/dbraw/zinc/39/27/34/220392734.db2.gz MEMOMWIYGZMGRO-NTEUORMPSA-N 0 0 359.363 2.801 50 5 FFBARN C[C@H](CNC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccccc1 ZINC000022624166 220393243 /nfs/dbraw/zinc/39/32/43/220393243.db2.gz VMASUPAYLKJTEN-OLZOCXBDSA-N 0 0 371.393 2.642 50 5 FFBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000024836434 220464149 /nfs/dbraw/zinc/46/41/49/220464149.db2.gz ZJKBYHDTNFTYQY-CQSZACIVSA-N 0 0 371.368 2.764 50 5 FFBARN CCCCn1nc(C(=O)N(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000025831291 220499636 /nfs/dbraw/zinc/49/96/36/220499636.db2.gz HLFNWRZLTRQOSG-ZDUSSCGKSA-N 0 0 358.398 2.785 50 5 FFBARN O=C1C[C@@H](Nc2ccc3c(c2)CCC3)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000050784393 221033381 /nfs/dbraw/zinc/03/33/81/221033381.db2.gz MLHPVCAHGILISS-QGZVFWFLSA-N 0 0 351.362 2.828 50 5 FFBARN Cc1ccc(C(=O)N2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000052752467 221038759 /nfs/dbraw/zinc/03/87/59/221038759.db2.gz KGZFLXQJLFXVJM-UHFFFAOYSA-N 0 0 353.422 2.904 50 5 FFBARN C[C@@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H](c2ccccc2)O1 ZINC000067892947 221301626 /nfs/dbraw/zinc/30/16/26/221301626.db2.gz XZLZALHDVCQLTG-DYVFJYSZSA-N 0 0 369.377 2.522 50 5 FFBARN COc1ccccc1N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000004845189 132824884 /nfs/dbraw/zinc/82/48/84/132824884.db2.gz IWJCKYJUYFYUGO-UHFFFAOYSA-N 0 0 356.382 2.958 50 5 FFBARN CC1CCN(c2nc(NCCc3ccccc3)nc(N)c2[N+](=O)[O-])CC1 ZINC000005029561 132826070 /nfs/dbraw/zinc/82/60/70/132826070.db2.gz KBRQCFPSAGMMSM-UHFFFAOYSA-N 0 0 356.430 2.858 50 5 FFBARN COc1ccccc1N1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000055543279 136127059 /nfs/dbraw/zinc/12/70/59/136127059.db2.gz ZTEIYXMVCAZBAL-UHFFFAOYSA-N 0 0 371.393 2.654 50 5 FFBARN CCOC(=O)c1cc2c(nc3ccc(C)cn3c2=O)n(C2CCCC2)c1=N ZINC000100662470 222249651 /nfs/dbraw/zinc/24/96/51/222249651.db2.gz NRFRKGCYESXEBH-UHFFFAOYSA-N 0 0 366.421 2.729 50 5 FFBARN O=C1[C@H]2ON=C(c3ccc([N+](=O)[O-])cc3)C2=C(O)N1c1cccc(Cl)c1 ZINC000103529690 222339026 /nfs/dbraw/zinc/33/90/26/222339026.db2.gz GHCHCBRODQXBLY-ZFWWWQNUSA-N 0 0 371.736 2.541 50 5 FFBARN Cc1ccc(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(C)c1 ZINC000002829682 506296503 /nfs/dbraw/zinc/29/65/03/506296503.db2.gz IAHFSYZURXZZIJ-UHFFFAOYSA-N 0 0 367.361 2.836 50 5 FFBARN Cc1sc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(C(N)=O)c1C ZINC000002897970 506299663 /nfs/dbraw/zinc/29/96/63/506299663.db2.gz ITVCZMHJWYYTMJ-UHFFFAOYSA-N 0 0 364.339 2.533 50 5 FFBARN O=C(Cn1c2ccccc2nc1NCCCO)c1ccc([N+](=O)[O-])cc1 ZINC000002901809 506301974 /nfs/dbraw/zinc/30/19/74/506301974.db2.gz GFEKXGKKHDYWBS-UHFFFAOYSA-N 0 0 354.366 2.622 50 5 FFBARN COC(=O)c1cccc(NC(=S)NC(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000003138724 506311457 /nfs/dbraw/zinc/31/14/57/506311457.db2.gz DCCPIOWYYFEEBW-UHFFFAOYSA-N 0 0 365.392 2.570 50 5 FFBARN O=[N+]([O-])c1cc(Nc2ncnc3n[nH]c(Br)c32)ccc1F ZINC000032919176 506312872 /nfs/dbraw/zinc/31/28/72/506312872.db2.gz QNPJBZYLVWQCAM-UHFFFAOYSA-N 0 0 353.111 2.906 50 5 FFBARN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1Cl)NCc1cccs1 ZINC000003247471 506315494 /nfs/dbraw/zinc/31/54/94/506315494.db2.gz IPADVPAQUHHXBE-UHFFFAOYSA-N 0 0 354.771 2.783 50 5 FFBARN COc1ccc(C(=O)OCC(=O)Nc2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000003441938 506331260 /nfs/dbraw/zinc/33/12/60/506331260.db2.gz OEDCGTDCCPCFMK-UHFFFAOYSA-N 0 0 366.276 2.677 50 5 FFBARN COc1ccc(C(=O)O[C@H](C)C(=O)N2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000003544703 506341127 /nfs/dbraw/zinc/34/11/27/506341127.db2.gz OBNDKLBEIRCITQ-GFCCVEGCSA-N 0 0 370.361 2.738 50 5 FFBARN COc1ccc(CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)cc1F ZINC000004477683 506376212 /nfs/dbraw/zinc/37/62/12/506376212.db2.gz AWVOUIINTTYJKJ-GOSISDBHSA-N 0 0 373.340 2.710 50 5 FFBARN O=C(c1ccc(F)c(F)c1)N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000004498407 506379650 /nfs/dbraw/zinc/37/96/50/506379650.db2.gz DWJSTRZDUMYITK-UHFFFAOYSA-N 0 0 365.311 2.975 50 5 FFBARN O=C(c1cccc(F)c1F)N1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000004819092 506397192 /nfs/dbraw/zinc/39/71/92/506397192.db2.gz JXJMLAOEXSRGPD-UHFFFAOYSA-N 0 0 365.311 2.975 50 5 FFBARN O=[N+]([O-])c1nn(-c2ccc(Cl)cc2)[n+]([O-])c1NCc1ccc(F)cc1 ZINC000004922905 506406535 /nfs/dbraw/zinc/40/65/35/506406535.db2.gz PTHLAYYYUYHWPV-UHFFFAOYSA-N 0 0 363.736 2.819 50 5 FFBARN CCOC(=O)c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004946750 506409812 /nfs/dbraw/zinc/40/98/12/506409812.db2.gz CYTYGDLVQJUYRH-UHFFFAOYSA-N 0 0 360.278 2.899 50 5 FFBARN CC(=O)c1ccc(Oc2nc(N3CCOCC3)nc(C)c2[N+](=O)[O-])cc1 ZINC000005024699 506416158 /nfs/dbraw/zinc/41/61/58/506416158.db2.gz FLYWBFXZPVFBIU-UHFFFAOYSA-N 0 0 358.354 2.525 50 5 FFBARN COc1cc(NC(=O)COC(=O)c2ccc(F)cc2)c(C)cc1[N+](=O)[O-] ZINC000005061978 506418991 /nfs/dbraw/zinc/41/89/91/506418991.db2.gz HPZRATUXVKZUKN-UHFFFAOYSA-N 0 0 362.313 2.846 50 5 FFBARN Cc1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)C(=O)[C@@H]1C ZINC000037520887 506427592 /nfs/dbraw/zinc/42/75/92/506427592.db2.gz RBZIDSJCBNFLJI-AWEZNQCLSA-N 0 0 353.378 2.781 50 5 FFBARN CCOc1ncccc1C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000007063912 506531370 /nfs/dbraw/zinc/53/13/70/506531370.db2.gz HEAGDQATUILKQL-UHFFFAOYSA-N 0 0 370.321 2.796 50 5 FFBARN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1cccc(F)c1 ZINC000007338978 506553773 /nfs/dbraw/zinc/55/37/73/506553773.db2.gz PGHPDQLKGAWVOK-GFCCVEGCSA-N 0 0 360.341 2.938 50 5 FFBARN O=C(NCCCOCc1ccccc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000008943601 506674414 /nfs/dbraw/zinc/67/44/14/506674414.db2.gz ZQSKXLDFJUUFME-UHFFFAOYSA-N 0 0 372.377 2.703 50 5 FFBARN Cc1csc(Sc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])n1 ZINC000009155458 506683106 /nfs/dbraw/zinc/68/31/06/506683106.db2.gz ZRWUCSQSSBQCLP-UHFFFAOYSA-N 0 0 365.436 2.983 50 5 FFBARN NC(=O)c1ccc(CSc2n[nH]c(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000009456846 506697866 /nfs/dbraw/zinc/69/78/66/506697866.db2.gz UWHJSLRGZXVGNO-UHFFFAOYSA-N 0 0 355.379 2.771 50 5 FFBARN COCC(=O)n1nc(-c2cccs2)nc1NCc1cccc([N+](=O)[O-])c1 ZINC000009667656 506707269 /nfs/dbraw/zinc/70/72/69/506707269.db2.gz GNPLJUWCDSANQS-UHFFFAOYSA-N 0 0 373.394 2.814 50 5 FFBARN C[C@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cccs1 ZINC000012641009 506887754 /nfs/dbraw/zinc/88/77/54/506887754.db2.gz HXAUYUDOXCNCQJ-LBPRGKRZSA-N 0 0 361.423 2.984 50 5 FFBARN O=[N+]([O-])c1ccccc1N1CCN(Cc2cc(F)cc3c2OCOC3)CC1 ZINC000012635524 506887982 /nfs/dbraw/zinc/88/79/82/506887982.db2.gz DWBHTSBNBVVYNM-UHFFFAOYSA-N 0 0 373.384 2.923 50 5 FFBARN Cc1cc(N2CCN(c3ncccn3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000020104180 507211137 /nfs/dbraw/zinc/21/11/37/507211137.db2.gz CEDGMJITDCEYOW-UHFFFAOYSA-N 0 0 350.382 2.568 50 5 FFBARN CC(C)(C)OC(=O)NC1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000047524021 507350090 /nfs/dbraw/zinc/35/00/90/507350090.db2.gz LHNUVRMVMYPJCN-UHFFFAOYSA-N 0 0 363.414 2.653 50 5 FFBARN Cc1cccc(C(=O)N2CCC(c3nnc4ccccn43)CC2)c1[N+](=O)[O-] ZINC000023695962 507367901 /nfs/dbraw/zinc/36/79/01/507367901.db2.gz FOIJGVLPPABMMX-UHFFFAOYSA-N 0 0 365.393 2.966 50 5 FFBARN Cc1c(NC(=O)N2CCNC(=O)C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000058060581 507368298 /nfs/dbraw/zinc/36/82/98/507368298.db2.gz PPRPZOGJMJJLBW-KRWDZBQOSA-N 0 0 368.393 2.998 50 5 FFBARN Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000024684697 507429489 /nfs/dbraw/zinc/42/94/89/507429489.db2.gz SLXSFRVZCMGNGM-LJQANCHMSA-N 0 0 369.421 2.707 50 5 FFBARN O=C(COc1ccccc1[N+](=O)[O-])N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000029112323 507760671 /nfs/dbraw/zinc/76/06/71/507760671.db2.gz ZYMGVEULPRIKAF-QGZVFWFLSA-N 0 0 360.341 2.713 50 5 FFBARN O=[N+]([O-])c1c(NC[C@H](c2ccccc2)N2CCOCC2)nc2ccccn21 ZINC000029525991 507781391 /nfs/dbraw/zinc/78/13/91/507781391.db2.gz MWVQZDVKVIMQHC-MRXNPFEDSA-N 0 0 367.409 2.728 50 5 FFBARN O=c1[nH]cnc2cc(NC[C@@H](O)c3ccc(Cl)cc3)c([N+](=O)[O-])cc12 ZINC000030860196 507813841 /nfs/dbraw/zinc/81/38/41/507813841.db2.gz JOIVSCLAHVQNBA-OAHLLOKOSA-N 0 0 360.757 2.630 50 5 FFBARN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CSCN1C(=O)c1ccccc1 ZINC000073445305 507922053 /nfs/dbraw/zinc/92/20/53/507922053.db2.gz XFYWKQQJMULFPC-HNNXBMFYSA-N 0 0 357.391 2.749 50 5 FFBARN CNC(=O)c1ccc(N(C[C@@H](O)c2ccc(F)cc2)C2CC2)c([N+](=O)[O-])c1 ZINC000079063918 507929395 /nfs/dbraw/zinc/92/93/95/507929395.db2.gz DUBHVLQSGJKYHF-GOSISDBHSA-N 0 0 373.384 2.796 50 5 FFBARN Cc1cc(C(=O)N2CC(C(=O)OCc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000095467388 508187994 /nfs/dbraw/zinc/18/79/94/508187994.db2.gz AWVPIWMXUAPWFM-UHFFFAOYSA-N 0 0 354.362 2.719 50 5 FFBARN COC(=O)[C@H](C)NC(=O)c1ccc(N2CCCCCCC2)c([N+](=O)[O-])c1 ZINC000084098746 508265710 /nfs/dbraw/zinc/26/57/10/508265710.db2.gz ZJKKCJCRSNTBOX-ZDUSSCGKSA-N 0 0 363.414 2.657 50 5 FFBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000170591475 509673590 /nfs/dbraw/zinc/67/35/90/509673590.db2.gz RAEGQMANDAUCEC-BMIGLBTASA-N 0 0 355.778 2.708 50 5 FFBARN O=C([C@@H]1CC(c2cccc(F)c2)=NO1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000084372085 571084030 /nfs/dbraw/zinc/08/40/30/571084030.db2.gz YMRKNKLCPUXQMJ-KRWDZBQOSA-N 0 0 355.325 2.816 50 5 FFBARN Cc1ccc(C)c(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 ZINC000000850453 219330934 /nfs/dbraw/zinc/33/09/34/219330934.db2.gz DYZLQXWROYSUMX-UHFFFAOYSA-N 0 0 367.361 2.836 50 5 FFBARN Cc1c(NC(=O)c2ccccc2[N+](=O)[O-])c(=O)n(-c2ccccc2)n1C ZINC000000831021 219328072 /nfs/dbraw/zinc/32/80/72/219328072.db2.gz PAVVSKVHJMHZFM-UHFFFAOYSA-N 0 0 352.350 2.645 50 5 FFBARN Cc1cc2c(cc1C)N[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)N2 ZINC000000950770 219345208 /nfs/dbraw/zinc/34/52/08/219345208.db2.gz BGJCZCQNWVBJRB-INIZCTEOSA-N 0 0 354.366 2.973 50 5 FFBARN C[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)O[C@H](c2cccc([N+](=O)[O-])c2)O1 ZINC000001025705 219355201 /nfs/dbraw/zinc/35/52/01/219355201.db2.gz YVYVINMYBSLRMG-ADLMAVQZSA-N 0 0 372.333 2.815 50 5 FFBARN CCCN1C=C(C(=O)OC)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)OC)=C1 ZINC000001140918 219378993 /nfs/dbraw/zinc/37/89/93/219378993.db2.gz ZCFJDMYOKWWWOY-UHFFFAOYSA-N 0 0 360.366 2.518 50 5 FFBARN COc1ccc(CCNC(=O)COc2ccc([N+](=O)[O-])c(C)c2)cc1OC ZINC000001284535 219393554 /nfs/dbraw/zinc/39/35/54/219393554.db2.gz GLSRZMDWKUCKGN-UHFFFAOYSA-N 0 0 374.393 2.658 50 5 FFBARN COc1ccc(/C=C2\N=C(c3ccc(OC)c([N+](=O)[O-])c3)OC2=O)cc1 ZINC000001507439 219409127 /nfs/dbraw/zinc/40/91/27/219409127.db2.gz GYUODZJJJGHZPX-ZROIWOOFSA-N 0 0 354.318 2.957 50 5 FFBARN CCn1ncc(Br)c1C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000002763793 219462571 /nfs/dbraw/zinc/46/25/71/219462571.db2.gz XAPHOPGLQCGWKO-UHFFFAOYSA-N 0 0 357.139 2.965 50 5 FFBARN COc1ccc(Nc2cc(NCCCO)c([N+](=O)[O-])c3nonc32)cc1 ZINC000004193986 219555168 /nfs/dbraw/zinc/55/51/68/219555168.db2.gz WEDXGHLYUPODEI-UHFFFAOYSA-N 0 0 359.342 2.678 50 5 FFBARN CCCc1ccccc1OCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000004825482 219610159 /nfs/dbraw/zinc/61/01/59/219610159.db2.gz VRZXBMAWKMJYEX-UHFFFAOYSA-N 0 0 364.423 2.905 50 5 FFBARN O=C(CNc1cccc([N+](=O)[O-])c1)Nc1ccc(N2CCCC2=O)cc1 ZINC000007339822 219801450 /nfs/dbraw/zinc/80/14/50/219801450.db2.gz ALWSHPWGBQHVJI-UHFFFAOYSA-N 0 0 354.366 2.772 50 5 FFBARN Cc1c(-c2nc(-c3ccc4c(c3)[nH]c(=O)n4C)no2)cccc1[N+](=O)[O-] ZINC000008600754 219864404 /nfs/dbraw/zinc/86/44/04/219864404.db2.gz IRSNXQVBKQIGFE-UHFFFAOYSA-N 0 0 351.322 2.800 50 5 FFBARN Cc1nn(CC(=O)NCCCCOc2ccc(F)cc2)c(C)c1[N+](=O)[O-] ZINC000009154150 219875239 /nfs/dbraw/zinc/87/52/39/219875239.db2.gz NTOCTUSQFBHSHC-UHFFFAOYSA-N 0 0 364.377 2.523 50 5 FFBARN Cc1c(C(=O)Nc2cccc(-c3ccc(=O)n(C)n3)c2)cccc1[N+](=O)[O-] ZINC000010325017 219899318 /nfs/dbraw/zinc/89/93/18/219899318.db2.gz WHSSFIWHQUDWNF-UHFFFAOYSA-N 0 0 364.361 2.916 50 5 FFBARN COc1ccc(C(=O)OCC(=O)N2[C@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000012600639 220011853 /nfs/dbraw/zinc/01/18/53/220011853.db2.gz WPANGOPXLGEYEI-TXEJJXNPSA-N 0 0 350.371 2.550 50 5 FFBARN O=C(Cc1nn2cnc3ccccc3c2nc1=O)c1ccc(Cl)cc1 ZINC000014241045 220118571 /nfs/dbraw/zinc/11/85/71/220118571.db2.gz RRMGROACRYOMJT-UHFFFAOYSA-N 0 0 350.765 2.717 50 5 FFBARN Cc1nnc(SCC(=O)Nc2c3ccccc3nc3ccccc32)n1C ZINC000019851624 220302302 /nfs/dbraw/zinc/30/23/02/220302302.db2.gz SJEWMNVTFUQJEK-UHFFFAOYSA-N 0 0 363.446 2.978 50 5 FFBARN CC(=O)Oc1ccc(C2=NN(C(C)=O)[C@@H](c3cccc([N+](=O)[O-])c3)O2)cc1 ZINC000021091261 220350869 /nfs/dbraw/zinc/35/08/69/220350869.db2.gz ALSRCGSHWIRCFQ-GOSISDBHSA-N 0 0 369.333 2.759 50 5 FFBARN CCOc1ccc(NC(=O)COc2ccc(C(=O)OC)cc2[N+](=O)[O-])cc1 ZINC000022222779 220378750 /nfs/dbraw/zinc/37/87/50/220378750.db2.gz MTLFHFJTHHPWOH-UHFFFAOYSA-N 0 0 374.349 2.798 50 5 FFBARN CCC(CC)[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000022966328 220407690 /nfs/dbraw/zinc/40/76/90/220407690.db2.gz ZUPWBRDXYNGFAJ-KRWDZBQOSA-N 0 0 364.446 2.853 50 5 FFBARN Cc1nn(CC(=O)OCc2nc(-c3ccc(C)cc3)no2)c(C)c1[N+](=O)[O-] ZINC000025117888 220475634 /nfs/dbraw/zinc/47/56/34/220475634.db2.gz BVPHVTZEFZYPBF-UHFFFAOYSA-N 0 0 371.353 2.510 50 5 FFBARN O=C(Cn1cccc(C(F)(F)F)c1=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000024933386 220466804 /nfs/dbraw/zinc/46/68/04/220466804.db2.gz LMENJIXMEMYBKL-UHFFFAOYSA-N 0 0 359.235 2.553 50 5 FFBARN Cc1nn(CC(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)c(C)c1[N+](=O)[O-] ZINC000045673317 220974072 /nfs/dbraw/zinc/97/40/72/220974072.db2.gz XSGDUXBTXNHONQ-MRXNPFEDSA-N 0 0 370.413 2.798 50 5 FFBARN C[C@H]1C(=O)N(CCOc2ccccc2[N+](=O)[O-])C(=O)N1c1ccc(F)cc1 ZINC000047349475 220992409 /nfs/dbraw/zinc/99/24/09/220992409.db2.gz CQMVVYVCZZNXIY-LBPRGKRZSA-N 0 0 373.340 2.970 50 5 FFBARN O=[N+]([O-])c1nn(Cc2nc(-c3cccs3)no2)cc1Br ZINC000048628723 221014509 /nfs/dbraw/zinc/01/45/09/221014509.db2.gz WKDRFQZSGIBXQC-UHFFFAOYSA-N 0 0 356.161 2.714 50 5 FFBARN CS(=O)(=O)c1ccc(C(=O)NC2(c3ccccc3)CCC2)cc1[N+](=O)[O-] ZINC000053473054 221045816 /nfs/dbraw/zinc/04/58/16/221045816.db2.gz UGKGSMLCCUOCIK-UHFFFAOYSA-N 0 0 374.418 2.808 50 5 FFBARN CCOc1cc([C@@H]2OC(c3ccccc3[N+](=O)[O-])=NN2C(C)=O)ccc1O ZINC000064819693 221152552 /nfs/dbraw/zinc/15/25/52/221152552.db2.gz LTSAEAKSVGCHNU-SFHVURJKSA-N 0 0 371.349 2.938 50 5 FFBARN CCOC(=O)c1ncn(C2CCN(c3ccc([N+](=O)[O-])c(C)c3)CC2)c1N ZINC000225648121 132285602 /nfs/dbraw/zinc/28/56/02/132285602.db2.gz CIRAQNRGMZELSY-UHFFFAOYSA-N 0 0 373.413 2.700 50 5 FFBARN O=[N+]([O-])c1ccc(NCCN2CCOc3nc4ccccc4nc32)cc1 ZINC000003894388 132385888 /nfs/dbraw/zinc/38/58/88/132385888.db2.gz DDOGPNRYQMCWLT-UHFFFAOYSA-N 0 0 351.366 2.849 50 5 FFBARN COc1ccccc1Nc1nc(N2CCC[C@@H](C)C2)nc(N)c1[N+](=O)[O-] ZINC000004306397 132386650 /nfs/dbraw/zinc/38/66/50/132386650.db2.gz BBOZDBRGTFIUCJ-LLVKDONJSA-N 0 0 358.402 2.956 50 5 FFBARN Cc1cccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H](C)C2=O)c1 ZINC000037275777 132940709 /nfs/dbraw/zinc/94/07/09/132940709.db2.gz FFIADHLFTCVJKC-AWEZNQCLSA-N 0 0 353.378 2.781 50 5 FFBARN C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000057722462 136129951 /nfs/dbraw/zinc/12/99/51/136129951.db2.gz GZNWYFRJXODHLJ-BRWVUGGUSA-N 0 0 374.485 2.895 50 5 FFBARN O=C(c1ccc(F)cc1F)N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000004132280 136151753 /nfs/dbraw/zinc/15/17/53/136151753.db2.gz BSCFTVMFCQZTEB-UHFFFAOYSA-N 0 0 365.311 2.975 50 5 FFBARN O=[N+]([O-])c1ccc(N2CCN(Cc3nc4ccccc4s3)CC2)cn1 ZINC000023466450 136152889 /nfs/dbraw/zinc/15/28/89/136152889.db2.gz OZABYZOSCZHHBI-UHFFFAOYSA-N 0 0 355.423 2.922 50 5 FFBARN COC(=O)c1ccc2[nH]c3c(c2c1)CN(c1ncccc1[N+](=O)[O-])CC3 ZINC000026725253 136153282 /nfs/dbraw/zinc/15/32/82/136153282.db2.gz ABGOVEDPVOKCOS-UHFFFAOYSA-N 0 0 352.350 2.820 50 5 FFBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1cccc(N2CCCC2=O)c1 ZINC000009653705 263362189 /nfs/dbraw/zinc/36/21/89/263362189.db2.gz DZEHZHKJZREVPJ-UHFFFAOYSA-N 0 0 355.350 2.739 50 5 FFBARN CCCOc1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1[N+](=O)[O-] ZINC000002187198 506274676 /nfs/dbraw/zinc/27/46/76/506274676.db2.gz IESIFPXPIFIATM-UHFFFAOYSA-N 0 0 351.384 2.767 50 5 FFBARN Cc1nn(CCCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1Br ZINC000002796431 506292794 /nfs/dbraw/zinc/29/27/94/506292794.db2.gz BYBWBGCNJGELDG-UHFFFAOYSA-N 0 0 367.203 2.682 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1C1=N/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)O1 ZINC000002941838 506303395 /nfs/dbraw/zinc/30/33/95/506303395.db2.gz MXEGGTVECOTYMD-RIYZIHGNSA-N 0 0 369.289 2.856 50 5 FFBARN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1Cl)N1CCc2ccccc2C1 ZINC000003263181 506317356 /nfs/dbraw/zinc/31/73/56/506317356.db2.gz DPRIGCXRUMMRKW-UHFFFAOYSA-N 0 0 374.780 2.990 50 5 FFBARN Cc1cc(C(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c(C)n1C[C@@H]1CCCO1 ZINC000003446152 506331828 /nfs/dbraw/zinc/33/18/28/506331828.db2.gz SOISTCMZBZSBBV-HNNXBMFYSA-N 0 0 360.414 2.888 50 5 FFBARN Cc1ccccc1Nc1nc(N)nc(COc2ccc([N+](=O)[O-])cc2)n1 ZINC000003515257 506339821 /nfs/dbraw/zinc/33/98/21/506339821.db2.gz DFZACSSLFPDSMJ-UHFFFAOYSA-N 0 0 352.354 2.993 50 5 FFBARN CO[C@](F)(C(=O)Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)C(F)(F)F ZINC000003672550 506350115 /nfs/dbraw/zinc/35/01/15/506350115.db2.gz XWEKGMTXRSUTJU-SNVBAGLBSA-N 0 0 355.200 2.624 50 5 FFBARN CCSCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000003905768 506351458 /nfs/dbraw/zinc/35/14/58/506351458.db2.gz MJNXHNZYFAAQFQ-CQSZACIVSA-N 0 0 365.411 2.519 50 5 FFBARN O=c1oc2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2s1 ZINC000003893932 506351567 /nfs/dbraw/zinc/35/15/67/506351567.db2.gz APMLNRWZQCEEDI-UHFFFAOYSA-N 0 0 352.349 2.564 50 5 FFBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000004016308 506355557 /nfs/dbraw/zinc/35/55/57/506355557.db2.gz AMYMVWNCRTYYGK-UHFFFAOYSA-N 0 0 367.361 2.918 50 5 FFBARN O=C1OC=C2Nc3cc4c(cc3[C@@H](c3ccc([N+](=O)[O-])cc3)C12)OCO4 ZINC000004053898 506357054 /nfs/dbraw/zinc/35/70/54/506357054.db2.gz UFLARJIDXUFMBO-MRXNPFEDSA-N 0 0 352.302 2.692 50 5 FFBARN CCOc1ccc(C(=O)Oc2cc(C)[nH]c(=O)c2[N+](=O)[O-])cc1OCC ZINC000004248354 506366087 /nfs/dbraw/zinc/36/60/87/506366087.db2.gz VGAZORBCXSCIDE-UHFFFAOYSA-N 0 0 362.338 2.608 50 5 FFBARN Cc1c([N+](=O)[O-])c([N+](=O)[O-])nn1CC(=O)Nc1ccccc1C(F)(F)F ZINC000004578189 506383921 /nfs/dbraw/zinc/38/39/21/506383921.db2.gz VKJBFLBHCWJCBU-UHFFFAOYSA-N 0 0 373.247 2.665 50 5 FFBARN Cc1ccc(-c2noc(CCNC(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000035673130 506388941 /nfs/dbraw/zinc/38/89/41/506388941.db2.gz AQTYUIOTDKXIPJ-UHFFFAOYSA-N 0 0 352.350 2.926 50 5 FFBARN C[C@@H](CCc1ccccc1)Nc1c([N+](=O)[O-])nn(-c2ccccc2)[n+]1[O-] ZINC000004807394 506394956 /nfs/dbraw/zinc/39/49/56/506394956.db2.gz UEVHHEURSMYBKQ-AWEZNQCLSA-N 0 0 353.382 2.847 50 5 FFBARN CCCCCOC(=O)C1C(C)=Nc2nnnn2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000004878505 506402893 /nfs/dbraw/zinc/40/28/93/506402893.db2.gz CBMDBAWSGPOXKP-OAHLLOKOSA-N 0 0 372.385 2.604 50 5 FFBARN Nc1nc(NC[C@H]2CCCO2)nc(Nc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000005094201 506420455 /nfs/dbraw/zinc/42/04/55/506420455.db2.gz AADOHPJLNNJGGG-LLVKDONJSA-N 0 0 364.793 2.955 50 5 FFBARN O=c1c2cnn(-c3ccc(F)cc3)c2ncn1Cc1cccc([N+](=O)[O-])c1 ZINC000005139370 506424381 /nfs/dbraw/zinc/42/43/81/506424381.db2.gz IXTUVYOIFCXLDB-UHFFFAOYSA-N 0 0 365.324 2.678 50 5 FFBARN O=C(c1ccco1)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000005181405 506427117 /nfs/dbraw/zinc/42/71/17/506427117.db2.gz ODZLZXCYTNVHAC-UHFFFAOYSA-N 0 0 358.379 2.760 50 5 FFBARN NC(=O)c1ccc(N2CCN(c3cccc(Cl)c3)CC2)c([N+](=O)[O-])c1 ZINC000005637995 506451559 /nfs/dbraw/zinc/45/15/59/506451559.db2.gz IREQKSCFEMNBQY-UHFFFAOYSA-N 0 0 360.801 2.674 50 5 FFBARN COc1ccc(NC=C2N=C(c3ccccc3F)OC2=O)c([N+](=O)[O-])c1 ZINC000006170308 506469607 /nfs/dbraw/zinc/46/96/07/506469607.db2.gz BUICEWIFWXQIGH-ZROIWOOFSA-N 0 0 357.297 2.999 50 5 FFBARN CCNc1ccc(C(=O)OCC(=O)NCc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000006318877 506475585 /nfs/dbraw/zinc/47/55/85/506475585.db2.gz DELIWSZKXUKAJS-UHFFFAOYSA-N 0 0 371.393 2.808 50 5 FFBARN O=C(N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000006700760 506499159 /nfs/dbraw/zinc/49/91/59/506499159.db2.gz SNTKABFEXCLYIE-UHFFFAOYSA-N 0 0 371.237 2.825 50 5 FFBARN O=C(CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000006786729 506507602 /nfs/dbraw/zinc/50/76/02/506507602.db2.gz NVVDOSCOUAEQLA-UHFFFAOYSA-N 0 0 373.796 2.563 50 5 FFBARN COc1ccc(NC(C)=O)cc1NC(=O)CNc1cccc([N+](=O)[O-])c1 ZINC000007339892 506553670 /nfs/dbraw/zinc/55/36/70/506553670.db2.gz NNKXXBSAAUSFPX-UHFFFAOYSA-N 0 0 358.354 2.612 50 5 FFBARN O=C(NCCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccs1 ZINC000008402401 506647931 /nfs/dbraw/zinc/64/79/31/506647931.db2.gz ZDJFEQFZQZEDGN-UHFFFAOYSA-N 0 0 367.814 2.860 50 5 FFBARN CC(=O)N1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000008777190 506669031 /nfs/dbraw/zinc/66/90/31/506669031.db2.gz ANVNOHKPYWNUCF-UHFFFAOYSA-N 0 0 351.712 2.936 50 5 FFBARN Cc1c(NC(=O)CN2C(=O)CSc3ccccc32)cccc1[N+](=O)[O-] ZINC000009691787 506709081 /nfs/dbraw/zinc/70/90/81/506709081.db2.gz FYINEDKDJLPFEY-UHFFFAOYSA-N 0 0 357.391 2.981 50 5 FFBARN Cc1ccnc(NC(=O)c2ccc(=O)n(Cc3cccc([N+](=O)[O-])c3)c2)c1 ZINC000010187973 506730296 /nfs/dbraw/zinc/73/02/96/506730296.db2.gz QNTZVYBWFSIQCG-UHFFFAOYSA-N 0 0 364.361 2.761 50 5 FFBARN CCn1nc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c2ccccc2c1=O ZINC000011655524 506785714 /nfs/dbraw/zinc/78/57/14/506785714.db2.gz VQMSFAAEGAIKPO-UHFFFAOYSA-N 0 0 364.361 2.528 50 5 FFBARN CCn1ccnc1S[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000011889034 506801187 /nfs/dbraw/zinc/80/11/87/506801187.db2.gz PPOBIMFSRPEDOB-SNVBAGLBSA-N 0 0 350.400 2.939 50 5 FFBARN Cc1ccc(CNC(=O)c2cc(N3CCOCC3)ccc2[N+](=O)[O-])cc1F ZINC000012746571 506894208 /nfs/dbraw/zinc/89/42/08/506894208.db2.gz YYVDNMSKXGEBKG-UHFFFAOYSA-N 0 0 373.384 2.809 50 5 FFBARN Cc1ccc2ncn(Cc3cc([N+](=O)[O-])cc4c3OCOC4)c(=O)c2c1 ZINC000047369836 507317426 /nfs/dbraw/zinc/31/74/26/507317426.db2.gz SYGGEKUUDTYFIZ-UHFFFAOYSA-N 0 0 353.334 2.528 50 5 FFBARN O=C(COc1cccc([N+](=O)[O-])c1)Nc1cccc(Cn2ccnc2)c1 ZINC000025181020 507472334 /nfs/dbraw/zinc/47/23/34/507472334.db2.gz ZKBWBPSZFYUPEC-UHFFFAOYSA-N 0 0 352.350 2.857 50 5 FFBARN CCOc1ccc(-c2nn3c(=S)nc4ccccc4c3[nH]c2=O)cc1 ZINC000071924198 507724971 /nfs/dbraw/zinc/72/49/71/507724971.db2.gz JZXLFBUCZAAIIU-UHFFFAOYSA-N 0 0 350.403 2.992 50 5 FFBARN O=C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000072400616 507783204 /nfs/dbraw/zinc/78/32/04/507783204.db2.gz FAFWLBOSKDZHKI-UHFFFAOYSA-N 0 0 362.210 2.550 50 5 in-vitro FFBARN CCOCc1ccccc1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000030519338 507809592 /nfs/dbraw/zinc/80/95/92/507809592.db2.gz GFVMFDHPMBUHAC-UHFFFAOYSA-N 0 0 350.396 2.610 50 5 FFBARN COc1cccc(N2CC[C@H](C[NH2+]Cc3cc([O-])ccc3[N+](=O)[O-])C2)c1 ZINC000079046040 507927750 /nfs/dbraw/zinc/92/77/50/507927750.db2.gz DEECICJYKMMRAY-CQSZACIVSA-N 0 0 357.410 2.925 50 5 FFBARN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000084351134 508275142 /nfs/dbraw/zinc/27/51/42/508275142.db2.gz ICVYXCARHZLITJ-GHMZBOCLSA-N 0 0 352.696 2.776 50 5 FFBARN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000245224694 509885109 /nfs/dbraw/zinc/88/51/09/509885109.db2.gz BRTBDCZMCJQSEH-VMGRFDJRSA-N 0 0 358.398 2.708 50 5 FFBARN COc1ccccc1NC(=O)COc1ccc(/C=C\[N+](=O)[O-])cc1OC ZINC000004844871 518169887 /nfs/dbraw/zinc/16/98/87/518169887.db2.gz HZLQAFLPOXBDTG-KTKRTIGZSA-N 0 0 358.350 2.969 50 5 FFBARN CC(C)(C(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1ccccc1 ZINC000012907097 535023116 /nfs/dbraw/zinc/02/31/16/535023116.db2.gz QOBWNFJRZAMALW-UHFFFAOYSA-N 0 0 354.410 2.616 50 5 FFBARN C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000104887736 570864123 /nfs/dbraw/zinc/86/41/23/570864123.db2.gz GZNWYFRJXODHLJ-BBWFWOEESA-N 0 0 374.485 2.895 50 5 FFBARN C/C=C(\C(=O)OCc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O ZINC000000689860 219314117 /nfs/dbraw/zinc/31/41/17/219314117.db2.gz NXGYZDFEJQLMRA-APQPDGGLSA-N 0 0 366.329 2.838 50 5 FFBARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 ZINC000000845699 219329594 /nfs/dbraw/zinc/32/95/94/219329594.db2.gz DIMRIHQLQXFZIA-INIZCTEOSA-N 0 0 352.350 2.861 50 5 FFBARN CC(C)(C)NC(=O)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 ZINC000001201639 219388037 /nfs/dbraw/zinc/38/80/37/219388037.db2.gz SBZRPAILPABNES-UHFFFAOYSA-N 0 0 367.361 2.924 50 5 FFBARN C[C@@H](Oc1cc(F)ccc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)OCCO2 ZINC000003514719 219516216 /nfs/dbraw/zinc/51/62/16/219516216.db2.gz UBIXWXRIMDOWPB-SNVBAGLBSA-N 0 0 362.313 2.911 50 5 FFBARN CCOC(=O)c1c(NC(=O)c2cc(C)on2)c2cc([N+](=O)[O-])ccc2n1C ZINC000004307621 219563756 /nfs/dbraw/zinc/56/37/56/219563756.db2.gz TXYZJUYONKONNO-UHFFFAOYSA-N 0 0 372.337 2.812 50 5 FFBARN COc1ccccc1NC(=O)c1cc2cc([N+](=O)[O-])cc(OC)c2oc1=O ZINC000004742613 219603815 /nfs/dbraw/zinc/60/38/15/219603815.db2.gz VQCNCABNLFYSLM-UHFFFAOYSA-N 0 0 370.317 2.971 50 5 FFBARN CNc1ccccc1C(=O)OCC(=O)Nc1cc(OC)c([N+](=O)[O-])cc1C ZINC000004826414 219609868 /nfs/dbraw/zinc/60/98/68/219609868.db2.gz YPOKQEKKMIVWFN-UHFFFAOYSA-N 0 0 373.365 2.749 50 5 FFBARN COc1ccc(S(=O)(=O)n2c(C)ncc2[N+](=O)[O-])cc1C(C)(C)C ZINC000004937464 219626935 /nfs/dbraw/zinc/62/69/35/219626935.db2.gz ZUJRENWIZSFROR-UHFFFAOYSA-N 0 0 353.400 2.643 50 5 FFBARN Cc1ccc(Nc2nc(NC[C@H]3CCCO3)nc(N)c2[N+](=O)[O-])cc1C ZINC000005100915 219649892 /nfs/dbraw/zinc/64/98/92/219649892.db2.gz CHQQAIWDGSVMBJ-CYBMUJFWSA-N 0 0 358.402 2.918 50 5 FFBARN Cn1c2ccccc2nc1SCC(=O)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000012537807 220004817 /nfs/dbraw/zinc/00/48/17/220004817.db2.gz RFTJITLLQOSGHX-UHFFFAOYSA-N 0 0 370.390 2.530 50 5 FFBARN CC(=O)N1CCc2cc(NC(=O)COc3ccc([N+](=O)[O-])cc3)ccc21 ZINC000012864556 220036959 /nfs/dbraw/zinc/03/69/59/220036959.db2.gz KUQAWZZODYGSKP-UHFFFAOYSA-N 0 0 355.350 2.521 50 5 FFBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCN(Cc2ccccc2)CC1 ZINC000015345317 220152772 /nfs/dbraw/zinc/15/27/72/220152772.db2.gz BXKHMHZEBAUFHU-ZHACJKMWSA-N 0 0 351.406 2.952 50 5 FFBARN Cc1ccc(C(=O)Nc2c(C)nc3c(C)cccn3c2=O)cc1[N+](=O)[O-] ZINC000015865278 220169711 /nfs/dbraw/zinc/16/97/11/220169711.db2.gz DDOJNRYMNBVJFU-UHFFFAOYSA-N 0 0 352.350 2.780 50 5 FFBARN COc1ccc(C(=O)CSc2n[nH]c(-c3ccncc3)n2)cc1[N+](=O)[O-] ZINC000018115974 220223471 /nfs/dbraw/zinc/22/34/71/220223471.db2.gz QWVZQTKGZKJXIP-UHFFFAOYSA-N 0 0 371.378 2.759 50 5 FFBARN CC(C)c1onc(C(=O)N2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000020285405 220319843 /nfs/dbraw/zinc/31/98/43/220319843.db2.gz LANGVIPZIQGPJB-UHFFFAOYSA-N 0 0 358.398 2.664 50 5 FFBARN CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)O[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000020945992 220346496 /nfs/dbraw/zinc/34/64/96/220346496.db2.gz ARYSLTABGDLXAB-INIZCTEOSA-N 0 0 356.294 2.742 50 5 FFBARN COc1ccc(OC)c(C(=O)COC(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000022003906 220373825 /nfs/dbraw/zinc/37/38/25/220373825.db2.gz SUBWOPJLRZPSFW-UHFFFAOYSA-N 0 0 359.334 2.960 50 5 FFBARN Cc1nn(C[C@H](O)COc2cccc(C(F)(F)F)c2)c(C)c1[N+](=O)[O-] ZINC000058160923 221100667 /nfs/dbraw/zinc/10/06/67/221100667.db2.gz HRGKHVYTIWXQHJ-LBPRGKRZSA-N 0 0 359.304 2.867 50 5 FFBARN CNC(=O)c1ccc(N[C@H](C)COc2ccccc2OC)c([N+](=O)[O-])c1 ZINC000058172319 221102741 /nfs/dbraw/zinc/10/27/41/221102741.db2.gz JDQWFXALXZUOJI-GFCCVEGCSA-N 0 0 359.382 2.842 50 5 FFBARN CNC(=O)c1cc(Cl)ccc1NC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000058248120 221111543 /nfs/dbraw/zinc/11/15/43/221111543.db2.gz PHANVSJYDJEATK-UHFFFAOYSA-N 0 0 362.773 2.902 50 5 FFBARN COc1ccc([N+](=O)[O-])cc1CSc1nnc(N2CCOCC2)s1 ZINC000058358114 221115478 /nfs/dbraw/zinc/11/54/78/221115478.db2.gz IQWKXHKHJVDAJB-UHFFFAOYSA-N 0 0 368.440 2.584 50 5 FFBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000065552232 221232337 /nfs/dbraw/zinc/23/23/37/221232337.db2.gz UDALQDAVGPXFMW-KRWDZBQOSA-N 0 0 368.393 2.998 50 5 FFBARN C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)OC(C)(C)OC3=O)[C@H]2C1 ZINC000245324821 132376629 /nfs/dbraw/zinc/37/66/29/132376629.db2.gz ACHWJVLPCCQNFU-IAQYHMDHSA-N 0 0 374.393 2.578 50 5 FFBARN COc1ccc(C(=O)Nc2ccccc2N2CCOCC2)cc1[N+](=O)[O-] ZINC000001113662 132380236 /nfs/dbraw/zinc/38/02/36/132380236.db2.gz SFJJYELEPFGWSA-UHFFFAOYSA-N 0 0 357.366 2.692 50 5 FFBARN C[C@@H]1CCCN(c2nc(NCCc3ccccc3)nc(N)c2[N+](=O)[O-])C1 ZINC000005159015 132827186 /nfs/dbraw/zinc/82/71/86/132827186.db2.gz YAPPHPYDVHGGIW-CYBMUJFWSA-N 0 0 356.430 2.858 50 5 FFBARN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N(C1CC1)C1CCCCC1 ZINC000045490159 132951888 /nfs/dbraw/zinc/95/18/88/132951888.db2.gz YVYDGOZINARKJD-UHFFFAOYSA-N 0 0 373.409 2.644 50 5 FFBARN O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000047254605 136122784 /nfs/dbraw/zinc/12/27/84/136122784.db2.gz RUGQCLOPRATAQH-NSHDSACASA-N 0 0 361.789 2.893 50 5 FFBARN Cc1cc(N2CCC3(CC2)OCCO3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000054389817 136125513 /nfs/dbraw/zinc/12/55/13/136125513.db2.gz VVPNSBKBMRJFLE-UHFFFAOYSA-N 0 0 356.382 2.704 50 5 FFBARN CC(C)(C)C1CCN(S(=O)(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000089642969 221741078 /nfs/dbraw/zinc/74/10/78/221741078.db2.gz KFYMLZBGNGGSMP-UHFFFAOYSA-N 0 0 367.471 2.960 50 5 FFBARN CC(C)CSCCN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000095446967 221905065 /nfs/dbraw/zinc/90/50/65/221905065.db2.gz WCACOVMKXZBUJG-INIZCTEOSA-N 0 0 351.428 2.751 50 5 FFBARN Cc1[nH]nc(C(=O)OCc2ccc(F)cc2Br)c1[N+](=O)[O-] ZINC000096012738 221991996 /nfs/dbraw/zinc/99/19/96/221991996.db2.gz CUJQZAZOESMAHF-UHFFFAOYSA-N 0 0 358.123 2.885 50 5 FFBARN C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](c2ccccc2)O1 ZINC000107135326 222390605 /nfs/dbraw/zinc/39/06/05/222390605.db2.gz UHSCZITXVCPKMP-DYVFJYSZSA-N 0 0 362.407 2.746 50 5 FFBARN Cc1noc(-c2ccccc2OCC(=O)Nc2cccc([N+](=O)[O-])c2)n1 ZINC000008586923 263356696 /nfs/dbraw/zinc/35/66/96/263356696.db2.gz XWUAONDIABWHSU-UHFFFAOYSA-N 0 0 354.322 2.971 50 5 FFBARN C[C@H]1C[C@H](OC(=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)C(=O)O1 ZINC000032736104 506288407 /nfs/dbraw/zinc/28/84/07/506288407.db2.gz XORVIMMOUXEBFR-LRDDRELGSA-N 0 0 362.382 2.836 50 5 FFBARN COc1ccc(OC)c([C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000002781346 506293256 /nfs/dbraw/zinc/29/32/56/506293256.db2.gz SMFJOJSHMQWUBA-LLVKDONJSA-N 0 0 366.395 2.652 50 5 FFBARN O=C(NOCc1ccccc1)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000002794312 506292919 /nfs/dbraw/zinc/29/29/19/506292919.db2.gz KWZWYZKFDHIJKO-UHFFFAOYSA-N 0 0 352.350 2.701 50 5 FFBARN Cc1nc2ccccc2nc1CCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000032818977 506298754 /nfs/dbraw/zinc/29/87/54/506298754.db2.gz UXOKQGSAAKNEGB-UHFFFAOYSA-N 0 0 366.377 2.584 50 5 FFBARN CCN(CC)C(=O)CN1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000032809890 506299178 /nfs/dbraw/zinc/29/91/78/506299178.db2.gz NNLOVROZLYRZSA-UHFFFAOYSA-N 0 0 368.865 2.629 50 5 FFBARN COC(=O)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000003028978 506306781 /nfs/dbraw/zinc/30/67/81/506306781.db2.gz GUCNDGIQGPKICW-UHFFFAOYSA-N 0 0 355.755 2.868 50 5 FFBARN CC(C)(C)NS(=O)(=O)c1ccc(N2CCCSCC2)c([N+](=O)[O-])c1 ZINC000065612831 506334573 /nfs/dbraw/zinc/33/45/73/506334573.db2.gz DBXHOVKBGLLBIX-UHFFFAOYSA-N 0 0 373.500 2.615 50 5 FFBARN Cc1[nH]c2ccccc2c1C(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000003602196 506345516 /nfs/dbraw/zinc/34/55/16/506345516.db2.gz QNFLYQSHTSHLDQ-UHFFFAOYSA-N 0 0 363.329 2.863 50 5 FFBARN COCCNc1ccc(-c2nn(C)c(=O)c3ccccc32)cc1[N+](=O)[O-] ZINC000004164423 506362333 /nfs/dbraw/zinc/36/23/33/506362333.db2.gz IMOQBLIKAYXTAO-UHFFFAOYSA-N 0 0 354.366 2.567 50 5 FFBARN CCn1cc(Br)c(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)n1 ZINC000004185926 506364009 /nfs/dbraw/zinc/36/40/09/506364009.db2.gz WXLGCCFRFVYARH-UHFFFAOYSA-N 0 0 369.175 2.835 50 5 FFBARN Cc1ccc(N2C[C@@H](NC(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2=O)cc1 ZINC000004496978 506378100 /nfs/dbraw/zinc/37/81/00/506378100.db2.gz BSBAYAVOQRCQLD-HNNXBMFYSA-N 0 0 353.378 2.747 50 5 FFBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000004732007 506390970 /nfs/dbraw/zinc/39/09/70/506390970.db2.gz DNFDTQYMAZDDGR-JTQLQIEISA-N 0 0 361.304 2.865 50 5 FFBARN CCOC(=O)CCc1cc2c3ccccc3oc(=O)c2c(NC(C)=O)n1 ZINC000004742918 506391400 /nfs/dbraw/zinc/39/14/00/506391400.db2.gz AYNXWODCVPAVON-UHFFFAOYSA-N 0 0 354.362 2.795 50 5 FFBARN O=C(/C=C(\c1ccccc1)N1CCOCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004812052 506395657 /nfs/dbraw/zinc/39/56/57/506395657.db2.gz GLWIZCWLGOTQJV-NBVRZTHBSA-N 0 0 353.378 2.907 50 5 FFBARN COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)cc1 ZINC000005049782 506417452 /nfs/dbraw/zinc/41/74/52/506417452.db2.gz GQYVNBZYWISKPY-UHFFFAOYSA-N 0 0 370.409 2.608 50 5 FFBARN COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1sccc1C ZINC000005110686 506423086 /nfs/dbraw/zinc/42/30/86/506423086.db2.gz IQZYBXHWBCAQSA-UHFFFAOYSA-N 0 0 350.352 2.769 50 5 FFBARN O=C(COC(=O)c1ccccc1O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000005783805 506456603 /nfs/dbraw/zinc/45/66/03/506456603.db2.gz HUBJCGLEJUDYHV-UHFFFAOYSA-N 0 0 350.714 2.749 50 5 FFBARN Cc1nn(CC(=O)OCC(=O)c2ccc(Cl)s2)c(C)c1[N+](=O)[O-] ZINC000006070850 506466605 /nfs/dbraw/zinc/46/66/05/506466605.db2.gz VIUTXJXUHSAYFM-UHFFFAOYSA-N 0 0 357.775 2.549 50 5 FFBARN Cc1ccccc1COC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000006082955 506466772 /nfs/dbraw/zinc/46/67/72/506466772.db2.gz UYMQIOSYGQKMHE-UHFFFAOYSA-N 0 0 368.345 2.633 50 5 FFBARN O=C(/C=C/c1ccco1)OCC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000006561721 506489556 /nfs/dbraw/zinc/48/95/56/506489556.db2.gz PGENCDOCGQKBTC-GQCTYLIASA-N 0 0 373.346 2.993 50 5 FFBARN CNc1ncnc2c1C(c1cccc([N+](=O)[O-])c1)c1c(NC)ncnc1O2 ZINC000006857755 506512513 /nfs/dbraw/zinc/51/25/13/506512513.db2.gz LGYRXFBMENOWLP-UHFFFAOYSA-N 0 0 365.353 2.544 50 5 FFBARN O=C(C=Cc1ccccc1[N+](=O)[O-])OCC(=O)c1ccc2c(c1)OCO2 ZINC000006947026 506518987 /nfs/dbraw/zinc/51/89/87/506518987.db2.gz KFVPQYVRTCZARP-SOFGYWHQSA-N 0 0 355.302 2.763 50 5 FFBARN Nc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000007357431 506556404 /nfs/dbraw/zinc/55/64/04/506556404.db2.gz GDNRRFLZGGODMP-UHFFFAOYSA-N 0 0 361.301 2.997 50 5 FFBARN C[C@H](C(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000007400520 506560257 /nfs/dbraw/zinc/56/02/57/506560257.db2.gz VEOCWHNCHDGZED-SNVBAGLBSA-N 0 0 352.343 2.535 50 5 FFBARN Cc1ccc(OCC(=O)OCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000007777171 506589954 /nfs/dbraw/zinc/58/99/54/506589954.db2.gz UTVUCCOBMZLCBZ-UHFFFAOYSA-N 0 0 358.350 2.772 50 5 FFBARN COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000009095370 506681347 /nfs/dbraw/zinc/68/13/47/506681347.db2.gz AMDZRNDCEUFLMT-LBPRGKRZSA-N 0 0 361.398 2.723 50 5 FFBARN CCn1c2ccccc2nc1NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 ZINC000010651209 506750120 /nfs/dbraw/zinc/75/01/20/506750120.db2.gz UFRGHBNGNXTSNG-UHFFFAOYSA-N 0 0 353.382 2.705 50 5 FFBARN Cc1c(NCC(=O)Nc2cccc(C(=O)NC3CC3)c2)cccc1[N+](=O)[O-] ZINC000011550139 506782089 /nfs/dbraw/zinc/78/20/89/506782089.db2.gz AYEZXLYZIYUTGH-UHFFFAOYSA-N 0 0 368.393 2.846 50 5 FFBARN Cc1ccc(-c2nnc(CNC(=O)COc3ccccc3[N+](=O)[O-])o2)cc1 ZINC000046085566 507074870 /nfs/dbraw/zinc/07/48/70/507074870.db2.gz DQHCJBHKBKJRRQ-UHFFFAOYSA-N 0 0 368.349 2.648 50 5 FFBARN COC(=O)COc1cccc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000024953095 507452227 /nfs/dbraw/zinc/45/22/27/507452227.db2.gz BNBJSYLCRHYCEX-UHFFFAOYSA-N 0 0 350.352 2.769 50 5 FFBARN CCOc1ccc(C(=O)Nc2cccnc2-n2cccn2)cc1[N+](=O)[O-] ZINC000025010305 507459808 /nfs/dbraw/zinc/45/98/08/507459808.db2.gz CVRDRYSIMBYGRG-UHFFFAOYSA-N 0 0 353.338 2.827 50 5 FFBARN Cc1csc2nc(COC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc(=O)n12 ZINC000025187332 507474995 /nfs/dbraw/zinc/47/49/95/507474995.db2.gz GNLYZTJWYMEFKH-UHFFFAOYSA-N 0 0 359.363 2.638 50 5 FFBARN CCOC(=O)CCN(Cc1cccnc1)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000060098242 507514041 /nfs/dbraw/zinc/51/40/41/507514041.db2.gz SORGJQQWHKOHAG-UHFFFAOYSA-N 0 0 371.393 2.894 50 5 FFBARN Cn1cnc([N+](=O)[O-])c1NCc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000029625277 507784582 /nfs/dbraw/zinc/78/45/82/507784582.db2.gz SHHWMQNGLCKWMJ-UHFFFAOYSA-N 0 0 357.414 2.957 50 5 FFBARN CC[C@@H](C)N(CC(=O)OC(C)(C)C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000089942262 507888328 /nfs/dbraw/zinc/88/83/28/507888328.db2.gz NKFICAAIQLJONM-LLVKDONJSA-N 0 0 351.403 2.759 50 5 FFBARN CNC(=O)c1ccc(N(C[C@H](O)c2ccc(F)cc2)C2CC2)c([N+](=O)[O-])c1 ZINC000079063911 507929504 /nfs/dbraw/zinc/92/95/04/507929504.db2.gz DUBHVLQSGJKYHF-SFHVURJKSA-N 0 0 373.384 2.796 50 5 FFBARN CC(C)(O)C(C)(C)Nc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000095997025 508200851 /nfs/dbraw/zinc/20/08/51/508200851.db2.gz BBFOQKAEAVNFIX-UHFFFAOYSA-N 0 0 370.349 2.850 50 5 FFBARN COc1ccc(NC(=O)[C@H](c2cccc([N+](=O)[O-])c2)N2CCOCC2)cc1 ZINC000096602153 508215144 /nfs/dbraw/zinc/21/51/44/508215144.db2.gz SCNHRRIFRQDCJH-SFHVURJKSA-N 0 0 371.393 2.615 50 5 FFBARN NC(=O)c1c2c(sc1C(=O)Nc1ccc([N+](=O)[O-])s1)CCCC2 ZINC000225548395 509376473 /nfs/dbraw/zinc/37/64/73/509376473.db2.gz DUEUWPKNRMBBFW-UHFFFAOYSA-N 0 0 351.409 2.948 50 5 FFBARN COC(=O)N1CCC([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000170600790 509676299 /nfs/dbraw/zinc/67/62/99/509676299.db2.gz CNGHCPGQXMQKCP-SECBINFHSA-N 0 0 355.416 2.561 50 5 FFBARN CCOC(=O)c1cc(C(=O)n2ccccc2=NC(C)C)cc([N+](=O)[O-])c1 ZINC000252457549 509836565 /nfs/dbraw/zinc/83/65/65/509836565.db2.gz QPRKFRSFGDCUPD-UHFFFAOYSA-N 0 0 357.366 2.571 50 5 FFBARN COc1cccc(CN2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000020274201 525942749 /nfs/dbraw/zinc/94/27/49/525942749.db2.gz IVVOJLJNYYBAOM-UHFFFAOYSA-N 0 0 370.409 2.953 50 5 FFBARN O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NCC1(C2CC2)CCC1 ZINC000089768009 526850354 /nfs/dbraw/zinc/85/03/54/526850354.db2.gz OPFOVJCHWQLPJJ-UHFFFAOYSA-N 0 0 365.817 2.675 50 5 FFBARN O=[N+]([O-])c1c2nonc2c(Sc2nc3ccccc3o2)cc1NCCO ZINC000020680016 527323551 /nfs/dbraw/zinc/32/35/51/527323551.db2.gz RGDCVNXAVHYXLQ-UHFFFAOYSA-N 0 0 373.350 2.828 50 5 FFBARN