smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C(=O)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2)ccc1[N+](=O)[O-] ZINC000000809152 568483896 /nfs/dbraw/zinc/48/38/96/568483896.db2.gz NILZTLACLJBYAR-UHFFFAOYSA-N 0 0 407.813 5.617 40 5 HKBBRN Cc1cc2nc(-c3cc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)ccc3O)oc2cc1C ZINC000000817472 568490110 /nfs/dbraw/zinc/49/01/10/568490110.db2.gz QQGGFBOOVRPCBX-UHFFFAOYSA-N 0 0 417.421 5.286 40 5 HKBBRN COc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)[nH]c2-c2ccc(OC)cc2)cc1 ZINC000000826718 568497901 /nfs/dbraw/zinc/49/79/01/568497901.db2.gz IXUTWWDHBGYXJO-UHFFFAOYSA-N 0 0 401.422 5.336 40 5 HKBBRN O=C(Nc1nc(-c2ccc3c(c2)Cc2ccccc2-3)cs1)c1cccc([N+](=O)[O-])c1 ZINC000000826955 568497914 /nfs/dbraw/zinc/49/79/14/568497914.db2.gz KCMZKBKBRBRDOC-UHFFFAOYSA-N 0 0 413.458 5.542 40 5 HKBBRN Cc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000000830917 568504130 /nfs/dbraw/zinc/50/41/30/568504130.db2.gz NYHURIZDLGECJV-UHFFFAOYSA-N 0 0 415.474 5.946 40 5 HKBBRN Cc1ccc(C(=O)N[C@H](Sc2ccc([N+](=O)[O-])cc2)C(Cl)(Cl)Cl)cc1 ZINC000000836890 568501851 /nfs/dbraw/zinc/50/18/51/568501851.db2.gz XFAKQJSOOQVAHX-OAHLLOKOSA-N 0 0 419.717 5.122 40 5 HKBBRN Cc1ccc(C(=O)N[C@@H](Sc2ccc([N+](=O)[O-])cc2)C(Cl)(Cl)Cl)cc1 ZINC000000836892 568501824 /nfs/dbraw/zinc/50/18/24/568501824.db2.gz XFAKQJSOOQVAHX-HNNXBMFYSA-N 0 0 419.717 5.122 40 5 HKBBRN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000000841503 559287601 /nfs/dbraw/zinc/28/76/01/559287601.db2.gz CCTMYLKCMYAVJC-UHFFFAOYSA-N 0 0 407.813 5.617 40 5 HKBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000000853563 568711822 /nfs/dbraw/zinc/71/18/22/568711822.db2.gz LZEWKUFWXCXHNC-UHFFFAOYSA-N 0 0 403.825 5.716 40 5 HKBBRN COc1ccc(-c2cc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)c3ccccc3n2)cc1 ZINC000000853566 568711836 /nfs/dbraw/zinc/71/18/36/568711836.db2.gz RUESLMBVSYQJSO-UHFFFAOYSA-N 0 0 413.433 5.379 40 5 HKBBRN Cc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccc(Cl)cc3)c[nH]2)cc1[N+](=O)[O-] ZINC000000855490 568711596 /nfs/dbraw/zinc/71/15/96/568711596.db2.gz LBDBHIOLNWIRHL-LBPRGKRZSA-N 0 0 416.890 5.066 40 5 HKBBRN O=C(CSc1nc(-c2ccc(Cl)cc2)c[nH]1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000855494 568711527 /nfs/dbraw/zinc/71/15/27/568711527.db2.gz PRPVXAQASMABLB-UHFFFAOYSA-N 0 0 423.281 5.023 40 5 HKBBRN Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)o1 ZINC000000861633 568713521 /nfs/dbraw/zinc/71/35/21/568713521.db2.gz GYORUYPVSKZULK-UHFFFAOYSA-N 0 0 410.429 5.987 40 5 HKBBRN Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4cccc([N+](=O)[O-])c4)c3)oc2c1 ZINC000000868813 568713410 /nfs/dbraw/zinc/71/34/10/568713410.db2.gz HVWNJSWVLVHBBX-UHFFFAOYSA-N 0 0 407.813 5.617 40 5 HKBBRN Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4ccc([N+](=O)[O-])cc4)c3)oc2c1 ZINC000000868814 568713505 /nfs/dbraw/zinc/71/35/05/568713505.db2.gz OJHSVZAQLJATHV-UHFFFAOYSA-N 0 0 407.813 5.617 40 5 HKBBRN Cc1ccc2cc3c(N)c(C(=O)Nc4ccc(Cl)c([N+](=O)[O-])c4)sc3nc2c1 ZINC000000899167 568740784 /nfs/dbraw/zinc/74/07/84/568740784.db2.gz WJABMYMNSQGXPN-UHFFFAOYSA-N 0 0 412.858 5.154 40 5 HKBBRN O=C(c1ccc(Cl)c(Cl)c1)N(Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000000945278 568752932 /nfs/dbraw/zinc/75/29/32/568752932.db2.gz FZFVEVZWGHGKPZ-UHFFFAOYSA-N 0 0 401.249 5.749 40 5 HKBBRN CC(C)(C)c1ccccc1OCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000000959313 568758218 /nfs/dbraw/zinc/75/82/18/568758218.db2.gz OOGJFUOALVJQIK-UHFFFAOYSA-N 0 0 411.483 5.033 40 5 HKBBRN O=C(COc1ccccc1[N+](=O)[O-])Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000000959334 569014587 /nfs/dbraw/zinc/01/45/87/569014587.db2.gz ZOMBNPGCZVWZGO-UHFFFAOYSA-N 0 0 424.265 5.043 40 5 HKBBRN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(Cl)cc1Cl ZINC000001053154 568765006 /nfs/dbraw/zinc/76/50/06/568765006.db2.gz KAGYFLHYHBXSOL-JXMROGBWSA-N 0 0 403.221 5.814 40 5 HKBBRN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1cc(Cl)ccc1Cl ZINC000001053159 568765050 /nfs/dbraw/zinc/76/50/50/568765050.db2.gz LQOQYOSYZNXSGY-JXMROGBWSA-N 0 0 403.221 5.814 40 5 HKBBRN Cc1ccc(N[C@H]2C[C@@H](C)N(C(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 ZINC000001084861 568767744 /nfs/dbraw/zinc/76/77/44/568767744.db2.gz CTLCAIPBNOGHEZ-VGSWGCGISA-N 0 0 401.466 5.495 40 5 HKBBRN Cc1ccc(N[C@@H]2C[C@@H](C)N(C(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 ZINC000001084862 568767742 /nfs/dbraw/zinc/76/77/42/568767742.db2.gz CTLCAIPBNOGHEZ-VGOFRKELSA-N 0 0 401.466 5.495 40 5 HKBBRN Cc1ccc(N[C@H]2C[C@H](C)N(C(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 ZINC000001084863 568767631 /nfs/dbraw/zinc/76/76/31/568767631.db2.gz CTLCAIPBNOGHEZ-JTSKRJEESA-N 0 0 401.466 5.495 40 5 HKBBRN Cc1ccc(N[C@@H]2C[C@H](C)N(C(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 ZINC000001084864 568767678 /nfs/dbraw/zinc/76/76/78/568767678.db2.gz CTLCAIPBNOGHEZ-HTAPYJJXSA-N 0 0 401.466 5.495 40 5 HKBBRN O=C(CCCc1ccc(Cl)cc1Cl)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000001098001 568769124 /nfs/dbraw/zinc/76/91/24/568769124.db2.gz GKNYOQZPYWSMNQ-UHFFFAOYSA-N 0 0 410.282 5.473 40 5 HKBBRN CC(=O)Nc1cc(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)ccc1C ZINC000001312180 569023790 /nfs/dbraw/zinc/02/37/90/569023790.db2.gz HIZWSEAFDHWLDG-UHFFFAOYSA-N 0 0 420.421 5.011 40 5 HKBBRN Cc1ccc2cc3c(nc2c1)sc1c3ncnc1SCC(=O)c1ccccc1 ZINC000001327806 560573596 /nfs/dbraw/zinc/57/35/96/560573596.db2.gz WPODOWCPXYMFEX-UHFFFAOYSA-N 0 0 401.516 5.676 40 5 HKBBRN CC(C)N(C(=O)CSc1ncnc2c3cc4ccccc4nc3sc21)C(C)C ZINC000001327862 560573637 /nfs/dbraw/zinc/57/36/37/560573637.db2.gz ZMPIZGBBYDPJHG-UHFFFAOYSA-N 0 0 410.568 5.130 40 5 HKBBRN Cc1ccc2cc3c(nc2c1)sc1c3ncnc1S[C@H]1Cc2ccccc2C1=O ZINC000001327869 560573593 /nfs/dbraw/zinc/57/35/93/560573593.db2.gz DLUXUXAXHOLMAV-SFHVURJKSA-N 0 0 413.527 5.601 40 5 HKBBRN Cc1ccc2cc3c(nc2c1)sc1c3ncnc1S[C@@H]1Cc2ccccc2C1=O ZINC000001327870 560573654 /nfs/dbraw/zinc/57/36/54/560573654.db2.gz DLUXUXAXHOLMAV-GOSISDBHSA-N 0 0 413.527 5.601 40 5 HKBBRN Cc1cc(Cl)ccc1NC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000001431087 568939791 /nfs/dbraw/zinc/93/97/91/568939791.db2.gz NWAIWFBHAGNSBM-UHFFFAOYSA-N 0 0 409.829 5.061 40 5 HKBBRN O=C(Nc1cc(C(F)(F)F)ccc1Oc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000001436504 568940011 /nfs/dbraw/zinc/94/00/11/568940011.db2.gz VZLVNIUIBDHWSV-UHFFFAOYSA-N 0 0 420.318 5.797 40 5 HKBBRN O=C(Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000001437719 568940068 /nfs/dbraw/zinc/94/00/68/568940068.db2.gz CNVYGZWIRVLDGQ-UHFFFAOYSA-N 0 0 402.237 6.213 40 5 HKBBRN Cc1cc(OC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(Cl)cc1Br ZINC000001560698 569030445 /nfs/dbraw/zinc/03/04/45/569030445.db2.gz XTQFOWOLYHKDCP-UHFFFAOYSA-N 0 0 420.046 5.583 40 5 HKBBRN O=[N+]([O-])c1ccc(/C(=C\c2ccc(-c3ccccc3)o2)S(=O)(=O)c2ccccc2)o1 ZINC000001565725 569030479 /nfs/dbraw/zinc/03/04/79/569030479.db2.gz KWZOPORMPIBRFR-RCCKNPSSSA-N 0 0 421.430 5.420 40 5 HKBBRN O=C(NC(c1ccccc1)c1ccccc1)OCc1c2ccccc2cc2ccccc21 ZINC000001566128 557272645 /nfs/dbraw/zinc/27/26/45/557272645.db2.gz KVCKCCCCCXMACE-UHFFFAOYSA-N 0 0 417.508 7.009 40 5 HKBBRN O=C(NC1CCCCC1)N(c1nnc(-c2cccc([N+](=O)[O-])c2)s1)c1ccccc1 ZINC000001572394 569030593 /nfs/dbraw/zinc/03/05/93/569030593.db2.gz JTYMLOMKQQLUFR-UHFFFAOYSA-N 0 0 423.498 5.294 40 5 HKBBRN O=C(Nc1cc(C(F)(F)F)ccc1Cl)n1nc(Cl)c2ccc([N+](=O)[O-])cc21 ZINC000001573534 569030597 /nfs/dbraw/zinc/03/05/97/569030597.db2.gz NEXBWVWHYVJIHZ-UHFFFAOYSA-N 0 0 419.146 5.350 40 5 HKBBRN N=C(Nc1cc2ccccc2c2ccccc12)Nc1cc2ccccc2c2ccccc12 ZINC000001577014 557273425 /nfs/dbraw/zinc/27/34/25/557273425.db2.gz XPJHABOTGFNGEN-UHFFFAOYSA-N 0 0 411.508 7.758 40 5 HKBBRN CCCCOC(=O)Nc1ccc2c(c1)c1c(ccc3c1[nH]c(=O)c1cccn13)n2CC ZINC000001579294 557273738 /nfs/dbraw/zinc/27/37/38/557273738.db2.gz AQJYMFHCKWNPTM-UHFFFAOYSA-N 0 0 416.481 5.257 40 5 HKBBRN O=C(Nc1cccc(Cl)c1Cl)c1cc(/C=C/c2ccc([N+](=O)[O-])cc2)on1 ZINC000001588865 569030633 /nfs/dbraw/zinc/03/06/33/569030633.db2.gz TXMFYKGLLMTEGL-RMKNXTFCSA-N 0 0 404.209 5.312 40 5 HKBBRN O=C(Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000001598595 569030707 /nfs/dbraw/zinc/03/07/07/569030707.db2.gz MDCDCWFPECAWDY-UHFFFAOYSA-N 0 0 415.443 6.081 40 5 HKBBRN O=C(Oc1c2ccccc2c2ccccc2c1OC(=O)c1ccccc1)c1ccccc1 ZINC000001600647 557275560 /nfs/dbraw/zinc/27/55/60/557275560.db2.gz HFMSVFXDRXRZHF-UHFFFAOYSA-N 0 0 418.448 6.431 40 5 HKBBRN O=C(C[C@H](c1ccccc1)[C@@](Br)(c1ccccc1)[N+](=O)[O-])c1ccccc1 ZINC000001603022 569031019 /nfs/dbraw/zinc/03/10/19/569031019.db2.gz MMRUVTNJHKZMIH-IFMALSPDSA-N 0 0 424.294 5.568 40 5 HKBBRN O=C(C[C@@H](c1ccccc1)[C@@](Br)(c1ccccc1)[N+](=O)[O-])c1ccccc1 ZINC000001603023 569031008 /nfs/dbraw/zinc/03/10/08/569031008.db2.gz MMRUVTNJHKZMIH-RBBKRZOGSA-N 0 0 424.294 5.568 40 5 HKBBRN O=C(C[C@H](c1ccccc1)[C@](Br)(c1ccccc1)[N+](=O)[O-])c1ccccc1 ZINC000001603024 569031017 /nfs/dbraw/zinc/03/10/17/569031017.db2.gz MMRUVTNJHKZMIH-IRLDBZIGSA-N 0 0 424.294 5.568 40 5 HKBBRN O=C(C[C@@H](c1ccccc1)[C@](Br)(c1ccccc1)[N+](=O)[O-])c1ccccc1 ZINC000001603025 569030994 /nfs/dbraw/zinc/03/09/94/569030994.db2.gz MMRUVTNJHKZMIH-UNMCSNQZSA-N 0 0 424.294 5.568 40 5 HKBBRN COc1cc2c3sc(=S)n4c3c3c(cc(OC)c(OC)c3c2cc1OC)CC4 ZINC000001619590 557276598 /nfs/dbraw/zinc/27/65/98/557276598.db2.gz ZKLIHPWOVLUFIH-UHFFFAOYSA-N 0 0 413.520 5.329 40 5 HKBBRN O=C1/C(=C\c2ccc(Cl)cc2)S[C@H]2SC=C(c3ccc([N+](=O)[O-])cc3)N12 ZINC000001637154 569031393 /nfs/dbraw/zinc/03/13/93/569031393.db2.gz CQJDQSFWJMGKQB-QJKHOBJASA-N 0 0 402.884 5.194 40 5 HKBBRN O=C1/C(=C\c2ccc(Cl)cc2)S[C@@H]2SC=C(c3ccc([N+](=O)[O-])cc3)N12 ZINC000001637156 569031401 /nfs/dbraw/zinc/03/14/01/569031401.db2.gz CQJDQSFWJMGKQB-WBNHJWIASA-N 0 0 402.884 5.194 40 5 HKBBRN Cc1ccc2c3c1c1c(C)ccc4c1c(c1ccccc1c4=O)c3c1ccccc1c2=O ZINC000001671637 569143916 /nfs/dbraw/zinc/14/39/16/569143916.db2.gz IJFDOVWXJGQCGY-UHFFFAOYSA-N 0 0 410.472 6.819 40 5 HKBBRN O=C(Sc1ccc(Br)cc1Br)c1ccc([N+](=O)[O-])cc1 ZINC000001688781 569031948 /nfs/dbraw/zinc/03/19/48/569031948.db2.gz KZQCZYQEGGFHRW-UHFFFAOYSA-N 0 0 417.078 5.052 40 5 HKBBRN O=C(OCCC/C(=C/c1cc2ccccc2c2ccccc12)[N+](=O)[O-])c1ccccc1 ZINC000001703291 557281696 /nfs/dbraw/zinc/28/16/96/557281696.db2.gz OHRKWNJHAKYRDS-PYCFMQQDSA-N 0 0 411.457 6.248 40 5 HKBBRN COc1c2c(Cl)cccc2c(OP(=O)(OC)OC)c2cccc(Cl)c21 ZINC000001712218 557282303 /nfs/dbraw/zinc/28/23/03/557282303.db2.gz TZGUPPFTMLGYJY-UHFFFAOYSA-N 0 0 401.182 6.088 40 5 HKBBRN Cc1ccc(/C=C/c2cc(/C=C/c3ccc(C)cc3)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000001714412 569032907 /nfs/dbraw/zinc/03/29/07/569032907.db2.gz UPSJIAGITQEPAG-PHEQNACWSA-N 0 0 400.434 6.461 40 5 HKBBRN O=c1c2ccccc2c2ccccc2c(=O)n1-c1ccc2c(c1)Cc1cc(F)ccc1-2 ZINC000001717015 557282511 /nfs/dbraw/zinc/28/25/11/557282511.db2.gz LAZLCUZAIQCPJW-UHFFFAOYSA-N 0 0 405.428 5.214 40 5 HKBBRN COc1ccc2c(c1)Cc1cc(-n3c(=O)c4ccccc4c4ccccc4c3=O)ccc1-2 ZINC000001717017 557282519 /nfs/dbraw/zinc/28/25/19/557282519.db2.gz QPFMNNKQAMKKMA-UHFFFAOYSA-N 0 0 417.464 5.084 40 5 HKBBRN COc1cc2c(cc1-n1c(=O)c3ccccc3c3ccccc3c1=O)-c1ccccc1C2 ZINC000001717019 557282502 /nfs/dbraw/zinc/28/25/02/557282502.db2.gz MICRXZNHGSKNAR-UHFFFAOYSA-N 0 0 417.464 5.084 40 5 HKBBRN CCCCn1cnc2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2c1=O ZINC000001718147 557282784 /nfs/dbraw/zinc/28/27/84/557282784.db2.gz XJTKLLOOZSVVIL-UHFFFAOYSA-N 0 0 406.489 5.474 40 5 HKBBRN CCn1c2ccccc2c2cc(-n3c(=O)c4ccccc4c4ccccc4c3=O)ccc21 ZINC000001719568 557282756 /nfs/dbraw/zinc/28/27/56/557282756.db2.gz DLEHZWVWMMXYEJ-UHFFFAOYSA-N 0 0 416.480 5.632 40 5 HKBBRN O=[N+]([O-])c1cc(Br)cc2nc(Cl)c3cc(Br)ccc3c21 ZINC000001722492 557283058 /nfs/dbraw/zinc/28/30/58/557283058.db2.gz UYGXXGGSEYRYKU-UHFFFAOYSA-N 0 0 416.456 5.475 40 5 HKBBRN O=[N+]([O-])c1ccc(/C=C2\c3cc(Cl)ccc3-c3c2cc(Cl)cc3Cl)cc1 ZINC000001723747 569033020 /nfs/dbraw/zinc/03/30/20/569033020.db2.gz DSQLJTVYUISMMW-FRKPEAEDSA-N 0 0 402.664 7.124 40 5 HKBBRN O=[N+]([O-])c1ccc(/C=C2/c3cc(Cl)ccc3-c3c2cc(Cl)cc3Cl)cc1 ZINC000001723748 569033010 /nfs/dbraw/zinc/03/30/10/569033010.db2.gz DSQLJTVYUISMMW-APSNUPSMSA-N 0 0 402.664 7.124 40 5 HKBBRN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N(C[C@@H](O)c1ccccc1)C1CCCCC1 ZINC000001738416 569040047 /nfs/dbraw/zinc/04/00/47/569040047.db2.gz IDNFGMLJNAZHHA-HXUWFJFHSA-N 0 0 417.893 5.148 40 5 HKBBRN COc1cc(/C=C/c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000001744183 569145346 /nfs/dbraw/zinc/14/53/46/569145346.db2.gz KDMAQNLFZCJZDD-BQYQJAHWSA-N 0 0 409.825 5.646 40 5 HKBBRN Clc1ccc2c(c1)c(-c1ccccc1)nc1c3ccccc3c(-c3ccccc3)n12 ZINC000001752009 557285116 /nfs/dbraw/zinc/28/51/16/557285116.db2.gz GGOAUYMYWDAXMZ-UHFFFAOYSA-N 0 0 404.900 7.628 40 5 HKBBRN C[C@]12C[C@H](CC(C)(C)C1)N(c1nc(-c3ccc([N+](=O)[O-])cc3)nc3ccccc31)C2 ZINC000001774833 569052365 /nfs/dbraw/zinc/05/23/65/569052365.db2.gz GOEOGIUQQGWDHE-UUOWRZLLSA-N 0 0 402.498 5.610 40 5 HKBBRN O=C(CCSc1ccc([N+](=O)[O-])cc1)OCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000001854251 569056539 /nfs/dbraw/zinc/05/65/39/569056539.db2.gz WGRRHZSSAQHXCQ-UHFFFAOYSA-N 0 0 421.474 5.170 40 5 HKBBRN O=[N+]([O-])c1cccc(Cl)c1Oc1ccc(CSc2nc3ccccc3o2)cc1 ZINC000001862109 569056689 /nfs/dbraw/zinc/05/66/89/569056689.db2.gz FAQQKBNFUXJIPJ-UHFFFAOYSA-N 0 0 412.854 6.474 40 5 HKBBRN O=[N+]([O-])c1ccc(P(=O)(Nc2cccc(Cl)c2)Nc2cccc(Cl)c2)cc1 ZINC000001870320 569056812 /nfs/dbraw/zinc/05/68/12/569056812.db2.gz FDKPGCOEKMYCRD-UHFFFAOYSA-N 0 0 422.208 5.944 40 5 HKBBRN O=[N+]([O-])c1ccc(P(=O)(Nc2ccc(Cl)cc2)Nc2ccc(Cl)cc2)cc1 ZINC000001870321 569056775 /nfs/dbraw/zinc/05/67/75/569056775.db2.gz PXUAMLNOZOVPES-UHFFFAOYSA-N 0 0 422.208 5.944 40 5 HKBBRN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002380442 569390242 /nfs/dbraw/zinc/39/02/42/569390242.db2.gz ZCJJTKXGSZTLQT-UHFFFAOYSA-N 0 0 412.673 5.538 40 5 HKBBRN O=[N+]([O-])c1ccc(CSc2ncnc3scc(-c4ccc(Cl)cc4)c32)cc1 ZINC000002395537 569393634 /nfs/dbraw/zinc/39/36/34/569393634.db2.gz WKMAHXKHESMZKF-UHFFFAOYSA-N 0 0 413.911 6.212 40 5 HKBBRN Cc1ccc(-c2ccc(OC(=O)c3ccc(Br)c([N+](=O)[O-])c3)cc2)cc1 ZINC000002750636 568806628 /nfs/dbraw/zinc/80/66/28/568806628.db2.gz LORAIJQBGQTETJ-UHFFFAOYSA-N 0 0 412.239 5.552 40 5 HKBBRN COc1ccccc1OC(=O)c1ccccc1Sc1c(Cl)cccc1[N+](=O)[O-] ZINC000002751235 568806391 /nfs/dbraw/zinc/80/63/91/568806391.db2.gz QYUGAWWJYMEMBI-UHFFFAOYSA-N 0 0 415.854 5.627 40 5 HKBBRN O=C1c2cc3oc4ccccc4c4ccccc4oc3cc2C(=O)N1c1cccc(O)c1 ZINC000002751251 568931751 /nfs/dbraw/zinc/93/17/51/568931751.db2.gz DXJHKOBGNYQZDG-UHFFFAOYSA-N 0 0 421.408 5.963 40 5 HKBBRN O=C1c2cc3oc4ccccc4c4ccccc4oc3cc2C(=O)N1c1ccccc1 ZINC000002751260 568931842 /nfs/dbraw/zinc/93/18/42/568931842.db2.gz JWGOZPXKJBLYKD-UHFFFAOYSA-N 0 0 405.409 6.257 40 5 HKBBRN O=C1c2cc3oc4ccccc4c4ccccc4oc3cc2C(=O)N1c1ccccc1O ZINC000002751358 568931766 /nfs/dbraw/zinc/93/17/66/568931766.db2.gz CENFKXOLBWQXPP-UHFFFAOYSA-N 0 0 421.408 5.963 40 5 HKBBRN Cc1nn(Cc2ccc(C(=O)Nc3ccc(Cl)cc3Cl)cc2)c(C)c1[N+](=O)[O-] ZINC000002756103 568806770 /nfs/dbraw/zinc/80/67/70/568806770.db2.gz APOJIPVIMWPXMD-UHFFFAOYSA-N 0 0 419.268 5.016 40 5 HKBBRN Cc1ccc(-c2cc(C(=O)OCc3ccc([N+](=O)[O-])cc3)c3ccccc3n2)cc1C ZINC000002766422 568807129 /nfs/dbraw/zinc/80/71/29/568807129.db2.gz VPQYXLNIPDIPTJ-UHFFFAOYSA-N 0 0 412.445 5.784 40 5 HKBBRN O=C(Nc1cc(Sc2ccccc2)cc([N+](=O)[O-])c1)c1cc(F)c(F)cc1Cl ZINC000002771284 568807770 /nfs/dbraw/zinc/80/77/70/568807770.db2.gz WICHCEKXPJDBQP-UHFFFAOYSA-N 0 0 420.824 5.930 40 5 HKBBRN O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C/c1c2ccccc2cc2ccccc21 ZINC000002820981 560732394 /nfs/dbraw/zinc/73/23/94/560732394.db2.gz QKQKIPWHMNXWHR-LPYMAVHISA-N 0 0 418.279 6.644 40 5 HKBBRN O=C1S/C(=C\c2ccc(-c3ccccc3)cc2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000002986284 568833100 /nfs/dbraw/zinc/83/31/00/568833100.db2.gz KAUAJBNHFHHKBD-STZFKDTASA-N 0 0 416.458 5.498 40 5 HKBBRN CCN(CC)C(=O)/C(=C/c1c2ccccc2cc2ccccc21)NC(=O)c1ccccc1 ZINC000003009833 568837680 /nfs/dbraw/zinc/83/76/80/568837680.db2.gz YUOWZAGKCWODJH-XHPQRKPJSA-N 0 0 422.528 5.632 40 5 HKBBRN Cc1ccccc1N[C@@H]1C[C@@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2)c2c(C)cccc21 ZINC000003013207 132261526 /nfs/dbraw/zinc/26/15/26/132261526.db2.gz CEDOKBKKWCYACF-WZONZLPQSA-N 0 0 415.493 5.804 40 5 HKBBRN Cc1ccccc1N[C@H]1C[C@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2)c2c(C)cccc21 ZINC000003013209 132261570 /nfs/dbraw/zinc/26/15/70/132261570.db2.gz CEDOKBKKWCYACF-MBSDFSHPSA-N 0 0 415.493 5.804 40 5 HKBBRN Cc1ccccc1N[C@@H]1C[C@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2)c2c(C)cccc21 ZINC000003013210 132261540 /nfs/dbraw/zinc/26/15/40/132261540.db2.gz CEDOKBKKWCYACF-FDDCHVKYSA-N 0 0 415.493 5.804 40 5 HKBBRN COc1ccccc1/N=c1/oc2ccc3ccccc3c2cc1-c1nc2ccccc2[nH]1 ZINC000003037271 568845739 /nfs/dbraw/zinc/84/57/39/568845739.db2.gz LWDGMHNWYCLSFJ-KDJFERLWSA-N 0 0 417.468 6.370 40 5 HKBBRN Cc1ccc(C2=N/C(=C/c3c4ccccc4cc4ccccc43)C(=O)O2)cc1[N+](=O)[O-] ZINC000003090774 557445501 /nfs/dbraw/zinc/44/55/01/557445501.db2.gz OBPKXGRYPIMXOL-HYARGMPZSA-N 0 0 408.413 5.554 40 5 HKBBRN Cc1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000003092876 568854812 /nfs/dbraw/zinc/85/48/12/568854812.db2.gz QXCHQXBSJJFSJL-UHFFFAOYSA-N 0 0 415.276 6.057 40 5 HKBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccccc1-c1nc2ccccc2s1 ZINC000003107707 568855085 /nfs/dbraw/zinc/85/50/85/568855085.db2.gz QBFLEDUQZBRVBW-OUKQBFOZSA-N 0 0 401.447 5.523 40 5 HKBBRN CC1(C)[C@@H]2CC[C@@]1(C)c1c2c(C(=O)Nc2cccc([N+](=O)[O-])c2)nn1-c1ccccc1 ZINC000003166444 568858766 /nfs/dbraw/zinc/85/87/66/568858766.db2.gz SNDGZFPXIAECEC-KOSHJBKYSA-N 0 0 416.481 5.208 40 5 HKBBRN CCCCOc1ccc(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)cc1 ZINC000003176442 568859832 /nfs/dbraw/zinc/85/98/32/568859832.db2.gz QVRJNMKEDGMKCA-UHFFFAOYSA-N 0 0 417.512 5.114 40 5 HKBBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nc2c(c(C(F)(F)F)n1)CCCC2 ZINC000003177440 568859355 /nfs/dbraw/zinc/85/93/55/568859355.db2.gz NALHQECSVLQXTP-UHFFFAOYSA-N 0 0 423.338 5.452 40 5 HKBBRN CSc1nnc2c(n1)O[C@H](c1c3ccccc3cc3ccccc31)Nc1ccccc1-2 ZINC000003211869 557456642 /nfs/dbraw/zinc/45/66/42/557456642.db2.gz RWNDAJYRLLXWAO-HSZRJFAPSA-N 0 0 422.513 6.070 40 5 HKBBRN CSc1nnc2c(n1)O[C@@H](c1c3ccccc3cc3ccccc31)Nc1ccccc1-2 ZINC000003211870 557456612 /nfs/dbraw/zinc/45/66/12/557456612.db2.gz RWNDAJYRLLXWAO-QHCPKHFHSA-N 0 0 422.513 6.070 40 5 HKBBRN CC[N+]([O-])(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 ZINC000003647465 557496730 /nfs/dbraw/zinc/49/67/30/557496730.db2.gz PGHWCZITRQNIPM-OCEACIFDSA-N 0 0 421.968 6.575 40 5 in-man HKBBRN CC(=O)n1c2cc([N+](=O)[O-])ccc2c(OC(=O)c2ccccc2)c1-c1ccccc1 ZINC000003844598 568927277 /nfs/dbraw/zinc/92/72/77/568927277.db2.gz ZSQASOMRGZXPHJ-UHFFFAOYSA-N 0 0 400.390 5.096 40 5 HKBBRN O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C(\Cl)c2ccccc2)cc1/C=C/c1ccccc1 ZINC000003845000 568927545 /nfs/dbraw/zinc/92/75/45/568927545.db2.gz FZFHORCIEZPSME-IICJTNPGSA-N 0 0 406.825 6.410 40 5 HKBBRN CC(=O)Nc1ccc(/C=C\c2nc3cc([N+](=O)[O-])ccc3n2-c2ccc(C)cc2)cc1 ZINC000003845365 568927537 /nfs/dbraw/zinc/92/75/37/568927537.db2.gz DXZMBXRCLHCBHG-AUWJEWJLSA-N 0 0 412.449 5.371 40 5 HKBBRN COc1cc2oc3cc(O)c(OC)c(CC=C(C)C)c3c(=O)c2c(O)c1CC=C(C)C ZINC000003925289 291295121 /nfs/dbraw/zinc/29/51/21/291295121.db2.gz YRKKJHJIWCRNCW-UHFFFAOYSA-N 0 0 424.493 5.392 40 5 endogenous,in-man HKBBRN C[C@@]12C[C@@H](CC(C)(C)C1)N(c1nc(-c3ccc([N+](=O)[O-])cc3)nc3ccccc31)C2 ZINC000004042445 568935755 /nfs/dbraw/zinc/93/57/55/568935755.db2.gz GOEOGIUQQGWDHE-HOYKHHGWSA-N 0 0 402.498 5.610 40 5 HKBBRN CCOC(=O)c1cnc2c3ccccc3ccc2c1N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000004056160 569321394 /nfs/dbraw/zinc/32/13/94/569321394.db2.gz UFYAETATUWMPOE-QYBDOPJKSA-N 0 0 402.538 5.970 40 5 HKBBRN Cc1cc(Nc2cc([N+](=O)[O-])ccc2C)nc(SCc2ccc(Cl)cc2)n1 ZINC000004125328 568944690 /nfs/dbraw/zinc/94/46/90/568944690.db2.gz MGBRAQBCPQJQIO-UHFFFAOYSA-N 0 0 400.891 5.691 40 5 HKBBRN O=C(Nc1ccc2ccc3cccc4ccc1c2c34)c1sc2ccccc2c1Cl ZINC000004129083 560599323 /nfs/dbraw/zinc/59/93/23/560599323.db2.gz DTKHUBUAGGQZTK-UHFFFAOYSA-N 0 0 411.913 7.704 40 5 HKBBRN Cc1ccc2c(c1)C(c1ccc([N+](=O)[O-])cc1)=NNC(c1ccc(C(C)(C)C)cc1)=N2 ZINC000004129797 568944621 /nfs/dbraw/zinc/94/46/21/568944621.db2.gz NMVXDISUYKFKPQ-UHFFFAOYSA-N 0 0 412.493 5.635 40 5 HKBBRN O=[N+]([O-])c1ccc(C2=NNC(c3ccc(Cl)cc3)=Nc3ccc(Cl)cc32)cc1 ZINC000004129809 560599431 /nfs/dbraw/zinc/59/94/31/560599431.db2.gz WYMFZIUNQHBSKM-UHFFFAOYSA-N 0 0 411.248 5.336 40 5 HKBBRN Cc1ccc(C2=Nc3c4ccccc4ccc3C(c3ccc([N+](=O)[O-])cc3)=NN2)cc1 ZINC000004129819 560599453 /nfs/dbraw/zinc/59/94/53/560599453.db2.gz MUIHFPFVWBPFKB-UHFFFAOYSA-N 0 0 406.445 5.490 40 5 HKBBRN Cc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004144583 569328176 /nfs/dbraw/zinc/32/81/76/569328176.db2.gz PQIVHYVTLMBGEL-UHFFFAOYSA-N 0 0 416.506 5.367 40 5 HKBBRN O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000004257049 568954665 /nfs/dbraw/zinc/95/46/65/568954665.db2.gz SKXOJZTXULPDLP-UHFFFAOYSA-N 0 0 421.453 5.223 40 5 HKBBRN Cc1ccc(S(=O)(=O)N2CCS[C@@H]2c2c3ccccc3cc3ccccc32)cc1 ZINC000004286295 560604831 /nfs/dbraw/zinc/60/48/31/560604831.db2.gz UFXLIPHMYGEGGL-XMMPIXPASA-N 0 0 419.571 5.738 40 5 HKBBRN Cc1ccc(S(=O)(=O)N2CCS[C@H]2c2c3ccccc3cc3ccccc32)cc1 ZINC000004286296 560604818 /nfs/dbraw/zinc/60/48/18/560604818.db2.gz UFXLIPHMYGEGGL-DEOSSOPVSA-N 0 0 419.571 5.738 40 5 HKBBRN O=[N+]([O-])c1ccc2nc(N[C@@H](c3c[nH]c4ccccc43)c3ccc(O)cc3)sc2c1 ZINC000004482447 558602665 /nfs/dbraw/zinc/60/26/65/558602665.db2.gz SMJOEODWQZVBNH-OAQYLSRUSA-N 0 0 416.462 5.593 40 5 HKBBRN O=C(Oc1cc2sc(=S)oc2c(-c2ccc([N+](=O)[O-])cc2)c1)c1ccccc1 ZINC000004548183 558662201 /nfs/dbraw/zinc/66/22/01/558662201.db2.gz MEZFLDYLHXALMF-UHFFFAOYSA-N 0 0 409.444 6.018 40 5 HKBBRN COc1cc(C)c(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc1C(C)C ZINC000004603092 558837556 /nfs/dbraw/zinc/83/75/56/558837556.db2.gz VLWXTHNPLPUECC-MFOYZWKCSA-N 0 0 414.845 5.033 40 5 HKBBRN C[C@@H]1CCc2c(c3c(ccc4ccccc43)nc2-c2cc(Br)ccc2O)C1 ZINC000004618358 557573190 /nfs/dbraw/zinc/57/31/90/557573190.db2.gz RENXPLYJQBTTFQ-CQSZACIVSA-N 0 0 418.334 6.648 40 5 HKBBRN C[C@H]1CCc2c(c3c(ccc4ccccc43)nc2-c2cc(Br)ccc2O)C1 ZINC000004618359 557573115 /nfs/dbraw/zinc/57/31/15/557573115.db2.gz RENXPLYJQBTTFQ-AWEZNQCLSA-N 0 0 418.334 6.648 40 5 HKBBRN C[C@@H]1CCc2c(c(-c3cc(Br)ccc3O)nc3ccc4ccccc4c32)C1 ZINC000004618368 557573122 /nfs/dbraw/zinc/57/31/22/557573122.db2.gz ITNNZGDNIQSBEQ-CQSZACIVSA-N 0 0 418.334 6.648 40 5 HKBBRN C[C@H]1CCc2c(c(-c3cc(Br)ccc3O)nc3ccc4ccccc4c32)C1 ZINC000004618369 557573199 /nfs/dbraw/zinc/57/31/99/557573199.db2.gz ITNNZGDNIQSBEQ-AWEZNQCLSA-N 0 0 418.334 6.648 40 5 HKBBRN COc1ccc(/C=C\c2nc3ccccc3nc2OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000004698039 558901010 /nfs/dbraw/zinc/90/10/10/558901010.db2.gz XXHMTYAQSBYADJ-KAMYIIQDSA-N 0 0 413.433 5.296 40 5 HKBBRN Cc1ccc(-n2c(/C=C\c3ccc([N+](=O)[O-])cc3)nc3cc([N+](=O)[O-])ccc32)cc1 ZINC000004701272 558906640 /nfs/dbraw/zinc/90/66/40/558906640.db2.gz FDUMEYJSHNJAPS-MLPAPPSSSA-N 0 0 400.394 5.321 40 5 HKBBRN O=[N+]([O-])c1cc([N+](=O)[O-])c(/C(Cl)=C\c2ccccc2)cc1/C=C\c1ccccc1 ZINC000004701556 558906612 /nfs/dbraw/zinc/90/66/12/558906612.db2.gz DYSQENXWMXGQJH-NALWFHSCSA-N 0 0 406.825 6.410 40 5 HKBBRN CC(C)(C)c1ccc(CC(C)(C)COC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000004714397 560610925 /nfs/dbraw/zinc/61/09/25/560610925.db2.gz QOQZGKCSULCORM-UHFFFAOYSA-N 0 0 414.458 5.226 40 5 HKBBRN CC(C)=CCCC(C)=C=CC(C)(C)COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000004714399 558914558 /nfs/dbraw/zinc/91/45/58/558914558.db2.gz CJUAMADYFHPZNC-UHFFFAOYSA-N 0 0 402.447 5.534 40 5 HKBBRN O=[N+]([O-])c1cccc(/C=C/c2nc3ccccc3nc2Oc2ccc(Cl)cc2)c1 ZINC000004721131 558923007 /nfs/dbraw/zinc/92/30/07/558923007.db2.gz WXAHPDXPKXZNPK-MDWZMJQESA-N 0 0 403.825 6.154 40 5 HKBBRN O=[N+]([O-])c1ccc2c(c1)N1C(c3ccccc3)=C[C@@H](c3ccccc3)[C@H]3CCCC[C@]31N2 ZINC000004733123 559009430 /nfs/dbraw/zinc/00/94/30/559009430.db2.gz BTGZMYYPTSGPIQ-QHWMMSMNSA-N 0 0 423.516 6.552 40 5 HKBBRN O=[N+]([O-])c1ccc2c(c1)N1C(c3ccccc3)=C[C@@H](c3ccccc3)[C@H]3CCCC[C@@]31N2 ZINC000004733135 559009433 /nfs/dbraw/zinc/00/94/33/559009433.db2.gz BTGZMYYPTSGPIQ-OBTVHEKISA-N 0 0 423.516 6.552 40 5 HKBBRN O=[N+]([O-])c1ccc2c(c1)c(-c1ccccc1)nn2Cc1ccc(Br)cc1 ZINC000004744522 559043631 /nfs/dbraw/zinc/04/36/31/559043631.db2.gz FLZPHUQAFJWPEK-UHFFFAOYSA-N 0 0 408.255 5.422 40 5 HKBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004748773 559045255 /nfs/dbraw/zinc/04/52/55/559045255.db2.gz NWGJSXLKDBUYLC-RUDMXATFSA-N 0 0 402.494 5.715 40 5 HKBBRN O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])Oc1ccc(-c2ccccc2)cc1Cl ZINC000004771211 559057073 /nfs/dbraw/zinc/05/70/73/559057073.db2.gz UFZQUNRTBLSYGL-UHFFFAOYSA-N 0 0 403.221 6.180 40 5 HKBBRN CC(C)CCOC(=O)c1ccccc1OC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000004771217 559056969 /nfs/dbraw/zinc/05/69/69/559056969.db2.gz JNIBGPBLGDIJLG-UHFFFAOYSA-N 0 0 406.822 5.062 40 5 HKBBRN CCc1cc(-n2c3ccccc3nc3cc(CC)c(=O)c(CC)c2-3)cc(CC)c1O ZINC000004774456 557596740 /nfs/dbraw/zinc/59/67/40/557596740.db2.gz NYGNLTUUXZMTRX-UHFFFAOYSA-N 0 0 400.522 5.446 40 5 HKBBRN CC[C@H]1[C@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004794233 132288922 /nfs/dbraw/zinc/28/89/22/132288922.db2.gz AHJVMUCXWPUDTK-OWSXEPHWSA-N 0 0 415.493 5.823 40 5 HKBBRN COc1ccc(Nc2nc(Oc3ccc4ccccc4c3)nc(C)c2[N+](=O)[O-])cc1 ZINC000004797389 560608837 /nfs/dbraw/zinc/60/88/37/560608837.db2.gz AKROMMWDJIMSDP-UHFFFAOYSA-N 0 0 402.410 5.391 40 5 HKBBRN O=C(OCc1ccc(Cl)c(Cl)c1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000004800777 569328308 /nfs/dbraw/zinc/32/83/08/569328308.db2.gz JOERSFUYDVXKAQ-UHFFFAOYSA-N 0 0 405.031 5.021 40 5 HKBBRN COc1cc2cccnc2c(N(c2ccc([N+](=O)[O-])cc2)c2ccc([N+](=O)[O-])cc2)c1 ZINC000004830972 559162848 /nfs/dbraw/zinc/16/28/48/559162848.db2.gz KSZUKZYJMDHVOV-UHFFFAOYSA-N 0 0 416.393 5.530 40 5 HKBBRN Cc1c([N+](=O)[O-])cc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000004838627 560609198 /nfs/dbraw/zinc/60/91/98/560609198.db2.gz FNMDKTIOZYATIV-UHFFFAOYSA-N 0 0 404.593 5.024 40 5 HKBBRN CCCCc1nc2c(ncc(NC(=O)C(C)(C)C)c2C)n1Cc1cccc([N+](=O)[O-])c1 ZINC000004848158 560609777 /nfs/dbraw/zinc/60/97/77/560609777.db2.gz JKJKZYJGFUYXPI-UHFFFAOYSA-N 0 0 423.517 5.023 40 5 HKBBRN CCCCC(=O)Nc1cc2nc(CCCC)n(Cc3ccccc3[N+](=O)[O-])c2nc1C ZINC000004848524 560610253 /nfs/dbraw/zinc/61/02/53/560610253.db2.gz ZJJOUMSFIRNUTA-UHFFFAOYSA-N 0 0 423.517 5.168 40 5 HKBBRN CCCCC(=O)Nc1cc2nc(CCCC)n(Cc3cccc([N+](=O)[O-])c3)c2nc1C ZINC000004848525 560610269 /nfs/dbraw/zinc/61/02/69/560610269.db2.gz VRWKILKVQRJSBP-UHFFFAOYSA-N 0 0 423.517 5.168 40 5 HKBBRN CCCCc1nc2cc(NC(=O)C(C)(C)C)c(C)nc2n1Cc1ccccc1[N+](=O)[O-] ZINC000004850392 560608551 /nfs/dbraw/zinc/60/85/51/560608551.db2.gz UBBXUEGWKLRWIP-UHFFFAOYSA-N 0 0 423.517 5.023 40 5 HKBBRN CCCCc1nc2cc(NC(=O)C(C)(C)C)c(C)nc2n1Cc1cccc([N+](=O)[O-])c1 ZINC000004850395 560608562 /nfs/dbraw/zinc/60/85/62/560608562.db2.gz CBMPXRCYMAFNSK-UHFFFAOYSA-N 0 0 423.517 5.023 40 5 HKBBRN CCCCc1nc2cc(NC(=O)C(C)(C)C)c(C)nc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000004850398 560608592 /nfs/dbraw/zinc/60/85/92/560608592.db2.gz PIARZKXOKUYUKZ-UHFFFAOYSA-N 0 0 423.517 5.023 40 5 HKBBRN CCc1ccc(C2(c3ccc(CC)cc3)C[C@@H]2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004852722 559190951 /nfs/dbraw/zinc/19/09/51/559190951.db2.gz IERVXMGGWBKVKV-XMMPIXPASA-N 0 0 414.505 5.664 40 5 HKBBRN CCc1ccc(C2(c3ccc(CC)cc3)C[C@H]2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004852723 559190933 /nfs/dbraw/zinc/19/09/33/559190933.db2.gz IERVXMGGWBKVKV-DEOSSOPVSA-N 0 0 414.505 5.664 40 5 HKBBRN O=[N+]([O-])c1ccc(Sc2nc3ccccc3n2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000004853452 560611663 /nfs/dbraw/zinc/61/16/63/560611663.db2.gz URNHGZJIFDZUCE-UHFFFAOYSA-N 0 0 406.423 5.052 40 5 HKBBRN O=C(c1ccc(Br)cc1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000004854666 559191798 /nfs/dbraw/zinc/19/17/98/559191798.db2.gz IHSOASWEKKUITN-UHFFFAOYSA-N 0 0 411.255 5.204 40 5 HKBBRN CCOc1ccc(Nc2c3ccccc3n(-c3ccccc3)c(=O)c2[N+](=O)[O-])cc1 ZINC000004859587 559191815 /nfs/dbraw/zinc/19/18/15/559191815.db2.gz VWYVVJNPCSKHFL-UHFFFAOYSA-N 0 0 401.422 5.041 40 5 HKBBRN O=C(c1ccccc1Cl)N(Cc1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000004893555 560615486 /nfs/dbraw/zinc/61/54/86/560615486.db2.gz WORFDLJGUZAVGB-UHFFFAOYSA-N 0 0 411.801 5.003 40 5 HKBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000004893570 559198068 /nfs/dbraw/zinc/19/80/68/559198068.db2.gz SVQCUEGABOPRDF-UHFFFAOYSA-N 0 0 411.801 5.003 40 5 HKBBRN O=C(c1ccccc1)N(Cc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000004893571 559198109 /nfs/dbraw/zinc/19/81/09/559198109.db2.gz SSPROFHTGINKJI-UHFFFAOYSA-N 0 0 411.255 5.204 40 5 HKBBRN Cc1ccc2cc3c(nc2c1)sc1c3ncnc1SCc1ccc(Cl)cc1 ZINC000004898284 560611404 /nfs/dbraw/zinc/61/14/04/560611404.db2.gz PBOLMPKSHXUWCB-UHFFFAOYSA-N 0 0 407.951 6.647 40 5 HKBBRN Cc1cc(C)c2nc3sc4c(ncnc4SCC(=O)c4ccccc4)c3cc2c1 ZINC000004898287 560611348 /nfs/dbraw/zinc/61/13/48/560611348.db2.gz DVYVYAQGRIGANS-UHFFFAOYSA-N 0 0 415.543 5.985 40 5 HKBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000004902469 559199414 /nfs/dbraw/zinc/19/94/14/559199414.db2.gz CFNWCSGPZLQBOZ-UHFFFAOYSA-N 0 0 403.825 5.716 40 5 HKBBRN O=C(Nc1ccccc1[N+](=O)[O-])c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000004902483 560617414 /nfs/dbraw/zinc/61/74/14/560617414.db2.gz OMKNQUQXOSFSPB-UHFFFAOYSA-N 0 0 403.825 5.716 40 5 HKBBRN Cc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccc(Cl)cc3)c[nH]2)cc1[N+](=O)[O-] ZINC000004903243 559199395 /nfs/dbraw/zinc/19/93/95/559199395.db2.gz LBDBHIOLNWIRHL-GFCCVEGCSA-N 0 0 416.890 5.066 40 5 HKBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1)c1cccc2ccccc21 ZINC000004903273 559199421 /nfs/dbraw/zinc/19/94/21/559199421.db2.gz OMHOJKSQHSZKNK-UHFFFAOYSA-N 0 0 416.864 6.248 40 5 HKBBRN CCCCC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1)c1c(OC(C)=O)ccc2ccccc21 ZINC000004903438 559199405 /nfs/dbraw/zinc/19/94/05/559199405.db2.gz FPXPKGRYWPJFTD-DEOSSOPVSA-N 0 0 420.465 5.069 40 5 HKBBRN CCCCC(=O)N[C@H](c1cccc([N+](=O)[O-])c1)c1c(OC(C)=O)ccc2ccccc21 ZINC000004903441 559199408 /nfs/dbraw/zinc/19/94/08/559199408.db2.gz FPXPKGRYWPJFTD-XMMPIXPASA-N 0 0 420.465 5.069 40 5 HKBBRN COc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc32)c([N+](=O)[O-])c1 ZINC000004906079 559199413 /nfs/dbraw/zinc/19/94/13/559199413.db2.gz HDXDVSLFRIMMRW-UHFFFAOYSA-N 0 0 413.433 5.379 40 5 HKBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc21 ZINC000004906080 559199398 /nfs/dbraw/zinc/19/93/98/559199398.db2.gz GJZIPRUXPRCTNV-UHFFFAOYSA-N 0 0 413.433 5.379 40 5 HKBBRN COc1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccc(C)cc32)c([N+](=O)[O-])c1 ZINC000004906090 559199431 /nfs/dbraw/zinc/19/94/31/559199431.db2.gz QLIFMLGSOPHITI-UHFFFAOYSA-N 0 0 413.433 5.379 40 5 HKBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(-c2ccccc2)nc2ccc(C)cc21 ZINC000004906092 559199415 /nfs/dbraw/zinc/19/94/15/559199415.db2.gz BLADRRUNFIWHDC-UHFFFAOYSA-N 0 0 413.433 5.379 40 5 HKBBRN COc1ccc(C)cc1-c1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2n1 ZINC000004906211 560617699 /nfs/dbraw/zinc/61/76/99/560617699.db2.gz SLWUDTNWSYMEIA-UHFFFAOYSA-N 0 0 413.433 5.379 40 5 HKBBRN CCOC(=O)[C@@H]1[C@H](c2ccccc2)ON(c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000004914527 559202221 /nfs/dbraw/zinc/20/22/21/559202221.db2.gz SANJJBBEHLTVFG-ZRBLBEILSA-N 0 0 418.449 5.008 40 5 HKBBRN CCOC(=O)[C@H]1[C@H](c2ccccc2)ON(c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000004914528 559202174 /nfs/dbraw/zinc/20/21/74/559202174.db2.gz SANJJBBEHLTVFG-ZLNRFVROSA-N 0 0 418.449 5.008 40 5 HKBBRN CCOC(=O)[C@@H]1[C@@H](c2ccccc2)ON(c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000004914531 559202182 /nfs/dbraw/zinc/20/21/82/559202182.db2.gz SANJJBBEHLTVFG-YTFSRNRJSA-N 0 0 418.449 5.008 40 5 HKBBRN CCOC(=O)[C@H]1[C@@H](c2ccccc2)ON(c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000004914538 559202170 /nfs/dbraw/zinc/20/21/70/559202170.db2.gz SANJJBBEHLTVFG-DNVJHFABSA-N 0 0 418.449 5.008 40 5 HKBBRN C[C@@]12CC[C@@H]3c4ccc(OC(=O)c5ccc([N+](=O)[O-])cc5)cc4CC[C@@H]3[C@@H]1CCC2=O ZINC000004934394 559209301 /nfs/dbraw/zinc/20/93/01/559209301.db2.gz HSVAEISJKGHUGC-HXKBJWFLSA-N 0 0 419.477 5.239 40 5 HKBBRN C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccc([N+](=O)[O-])cc5)cc4CC[C@@H]3[C@@H]1CCC2=O ZINC000004934396 559209259 /nfs/dbraw/zinc/20/92/59/559209259.db2.gz HSVAEISJKGHUGC-KXEAFHOWSA-N 0 0 419.477 5.239 40 5 HKBBRN C[C@@]12CC[C@H]3c4ccc(OC(=O)c5ccc([N+](=O)[O-])cc5)cc4CC[C@@H]3[C@@H]1CCC2=O ZINC000004934397 559209397 /nfs/dbraw/zinc/20/93/97/559209397.db2.gz HSVAEISJKGHUGC-DEJKCJRPSA-N 0 0 419.477 5.239 40 5 HKBBRN C[C@]12CC[C@H]3c4ccc(OC(=O)c5ccc([N+](=O)[O-])cc5)cc4CC[C@@H]3[C@@H]1CCC2=O ZINC000004934398 559209360 /nfs/dbraw/zinc/20/93/60/559209360.db2.gz HSVAEISJKGHUGC-UEOMBKFZSA-N 0 0 419.477 5.239 40 5 HKBBRN CCCCOc1ccc(-c2nnc(-c3cccc([N+](=O)[O-])c3)n2-c2ccccc2)cc1 ZINC000004952400 559215647 /nfs/dbraw/zinc/21/56/47/559215647.db2.gz DZDXXXFMNZKOGY-UHFFFAOYSA-N 0 0 414.465 5.688 40 5 HKBBRN O=[N+]([O-])c1ccc(C2=NNC(c3ccc(F)cc3)=Nc3c4ccccc4ccc32)cc1 ZINC000004954636 560617312 /nfs/dbraw/zinc/61/73/12/560617312.db2.gz FDIBYLMFBWCJTJ-UHFFFAOYSA-N 0 0 410.408 5.321 40 5 HKBBRN CCc1sc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)nc1-c1ccc(C)cc1C ZINC000004957138 560617294 /nfs/dbraw/zinc/61/72/94/560617294.db2.gz KFYCHPRVTJRLEV-UHFFFAOYSA-N 0 0 406.463 5.671 40 5 HKBBRN COc1ccc([C@@H]2[C@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@@H]2[N+](=O)[O-])cc1OC ZINC000004963840 559217249 /nfs/dbraw/zinc/21/72/49/559217249.db2.gz XXJKJSIFJWRZMJ-VNRZQXBUSA-N 0 0 415.489 5.570 40 5 HKBBRN COc1ccc([C@H]2[C@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@@H]2[N+](=O)[O-])cc1OC ZINC000004963842 559217280 /nfs/dbraw/zinc/21/72/80/559217280.db2.gz XXJKJSIFJWRZMJ-DDOAZUFRSA-N 0 0 415.489 5.570 40 5 HKBBRN COc1ccc([C@@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@@H]2[N+](=O)[O-])cc1OC ZINC000004963843 559217284 /nfs/dbraw/zinc/21/72/84/559217284.db2.gz XXJKJSIFJWRZMJ-QMWXCIFZSA-N 0 0 415.489 5.570 40 5 HKBBRN COc1ccc([C@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@@H]2[N+](=O)[O-])cc1OC ZINC000004963844 559217312 /nfs/dbraw/zinc/21/73/12/559217312.db2.gz XXJKJSIFJWRZMJ-PWGHIRGTSA-N 0 0 415.489 5.570 40 5 HKBBRN Cc1nc(Nc2ccc(Cl)c(Cl)c2)nc(N(C)c2ccccc2)c1[N+](=O)[O-] ZINC000005005144 559226534 /nfs/dbraw/zinc/22/65/34/559226534.db2.gz XOPSUEQROKTUMY-UHFFFAOYSA-N 0 0 404.257 5.512 40 5 HKBBRN Cc1nc(Nc2cc(Cl)ccc2Cl)nc(N(C)c2ccccc2)c1[N+](=O)[O-] ZINC000005005145 559226578 /nfs/dbraw/zinc/22/65/78/559226578.db2.gz CFPORXOQQMLBHO-UHFFFAOYSA-N 0 0 404.257 5.512 40 5 HKBBRN COc1ccccc1Nc1nc(Nc2cccc3ccccc32)nc(C)c1[N+](=O)[O-] ZINC000005006118 560620647 /nfs/dbraw/zinc/62/06/47/560620647.db2.gz PKHBYVHYISPVCK-UHFFFAOYSA-N 0 0 401.426 5.342 40 5 HKBBRN COc1ccccc1Nc1nc(Nc2ccc3ccccc3c2)nc(C)c1[N+](=O)[O-] ZINC000005006123 560620667 /nfs/dbraw/zinc/62/06/67/560620667.db2.gz YHQBVMJNVJPGEC-UHFFFAOYSA-N 0 0 401.426 5.342 40 5 HKBBRN Cc1cc2nc3ccccc3c(=O)n2c(SCc2ccc(Cl)cc2Cl)n1 ZINC000005008282 560620879 /nfs/dbraw/zinc/62/08/79/560620879.db2.gz CVVFZINFVQXCRB-UHFFFAOYSA-N 0 0 402.306 5.150 40 5 HKBBRN Cc1ccc(/C=C\c2cc(/C=C\c3ccc(C)cc3)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000005080547 559242495 /nfs/dbraw/zinc/24/24/95/559242495.db2.gz UPSJIAGITQEPAG-XSYHWHKQSA-N 0 0 400.434 6.461 40 5 HKBBRN Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cccc1-c1nc2ncccc2o1 ZINC000005128177 559248948 /nfs/dbraw/zinc/24/89/48/559248948.db2.gz FPBGTHLPOTYDGQ-UHFFFAOYSA-N 0 0 408.801 5.012 40 5 HKBBRN O=C(CSc1ccc(Cl)cc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000005191539 559291340 /nfs/dbraw/zinc/29/13/40/559291340.db2.gz BBCIFYLCMXXFFY-UHFFFAOYSA-N 0 0 405.888 5.103 40 5 HKBBRN C[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]([N+](=O)[O-])[C@H]2c1ccccc1 ZINC000005217093 560540285 /nfs/dbraw/zinc/54/02/85/560540285.db2.gz NRHODLQXJWGMRZ-PTJMHOJZSA-N 0 0 409.485 5.635 40 5 HKBBRN C[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]([N+](=O)[O-])[C@@H]2c1ccccc1 ZINC000005217094 560540250 /nfs/dbraw/zinc/54/02/50/560540250.db2.gz NRHODLQXJWGMRZ-ATJLQDCWSA-N 0 0 409.485 5.635 40 5 HKBBRN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cccc2nc3ccccc3nc21 ZINC000005257585 557642103 /nfs/dbraw/zinc/64/21/03/557642103.db2.gz WMBXESFMRQWVCP-UHFFFAOYSA-N 0 0 401.775 5.708 40 5 HKBBRN O=C(Nc1ccc2nc3ccccc3nc2c1)c1cccc2nc3ccccc3nc21 ZINC000005259163 557642109 /nfs/dbraw/zinc/64/21/09/557642109.db2.gz MPKQMYCJSGNGRI-UHFFFAOYSA-N 0 0 401.429 5.132 40 5 HKBBRN Cc1nc(Nc2cccc(C(F)(F)F)c2)nc(N(C)c2ccccc2)c1[N+](=O)[O-] ZINC000005276886 560560722 /nfs/dbraw/zinc/56/07/22/560560722.db2.gz LSJOVUIZWBDIRU-UHFFFAOYSA-N 0 0 403.364 5.224 40 5 HKBBRN Cc1nn(-c2ccccc2)c2c1cc(-c1nc3ccccc3[nH]1)c1nc3ccccc3n12 ZINC000005276943 557643189 /nfs/dbraw/zinc/64/31/89/557643189.db2.gz FTIHTGYKBRDRAA-UHFFFAOYSA-N 0 0 414.472 5.678 40 5 HKBBRN O=C1c2cccc3cc([N+](=O)[O-])cc(c32)C(=O)N1[C@H](Cc1ccccc1)c1ccccc1 ZINC000005328303 560564671 /nfs/dbraw/zinc/56/46/71/560564671.db2.gz NTEKPJXABRFXGG-HSZRJFAPSA-N 0 0 422.440 5.328 40 5 HKBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)Oc1c(Cl)cc(Cl)c(Cl)c1[N+](=O)[O-] ZINC000005328694 560564836 /nfs/dbraw/zinc/56/48/36/560564836.db2.gz GLKGDKVDOSTVEF-UHFFFAOYSA-N 0 0 406.565 5.074 40 5 HKBBRN Cc1ccc(NC(=O)OCCOc2c(C(C)C)cccc2C(C)C)c([N+](=O)[O-])c1 ZINC000005328947 560564768 /nfs/dbraw/zinc/56/47/68/560564768.db2.gz VIXORXUAJAMSDE-UHFFFAOYSA-N 0 0 400.475 5.778 40 5 HKBBRN O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])Oc1ccc(Cl)cc1Cc1ccccc1 ZINC000005329445 560564810 /nfs/dbraw/zinc/56/48/10/560564810.db2.gz VXFZZGQMGNGUOF-UHFFFAOYSA-N 0 0 417.248 6.103 40 5 HKBBRN Cc1ccc(-n2c(/C=C/c3ccc([N+](=O)[O-])cc3)nc3cc([N+](=O)[O-])ccc32)cc1 ZINC000005337646 560566344 /nfs/dbraw/zinc/56/63/44/560566344.db2.gz FDUMEYJSHNJAPS-AWNIVKPZSA-N 0 0 400.394 5.321 40 5 HKBBRN Cc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccncc2)cc1C ZINC000005356169 560571396 /nfs/dbraw/zinc/57/13/96/560571396.db2.gz DFFPSCVARUWOLR-UHFFFAOYSA-N 0 0 417.494 5.147 40 5 HKBBRN COc1ccc(Nc2nc(Nc3cccc4ccccc43)nc(C)c2[N+](=O)[O-])cc1 ZINC000005360803 560571384 /nfs/dbraw/zinc/57/13/84/560571384.db2.gz HZDKRXCIUCSMML-UHFFFAOYSA-N 0 0 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O=C(Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(N2CCCC2)cc1 ZINC000007383142 569337508 /nfs/dbraw/zinc/33/75/08/569337508.db2.gz GSSKIFUGOXODKK-UHFFFAOYSA-N 0 0 419.506 5.599 40 5 HKBBRN CC1CCN(c2ccc(C(=O)Nc3ccc(Cl)cc3Cl)cc2[N+](=O)[O-])CC1 ZINC000007388420 569235847 /nfs/dbraw/zinc/23/58/47/569235847.db2.gz UQIUSROTFIUSTK-UHFFFAOYSA-N 0 0 408.285 5.390 40 5 HKBBRN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccccc1N1CCCC1 ZINC000007388609 569235854 /nfs/dbraw/zinc/23/58/54/569235854.db2.gz QQRQCDUUIMWPQM-WYMLVPIESA-N 0 0 403.438 5.107 40 5 HKBBRN CCN(CC)c1ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000007388764 569235850 /nfs/dbraw/zinc/23/58/50/569235850.db2.gz YKTYUBFFTOQGCJ-UHFFFAOYSA-N 0 0 424.545 5.238 40 5 HKBBRN CCCc1cc(-c2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)s2)ccn1 ZINC000008040490 568969439 /nfs/dbraw/zinc/96/94/39/568969439.db2.gz VUKSRFCYWICJPL-UHFFFAOYSA-N 0 0 401.491 6.400 40 5 HKBBRN O=[N+]([O-])c1ccc2c(c1)c(-c1ccccc1)nn2Cc1ccccc1Br ZINC000008040512 568969524 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CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)nc2c1 ZINC000008198249 568981259 /nfs/dbraw/zinc/98/12/59/568981259.db2.gz HNSRFYGDMDMJKL-HNNXBMFYSA-N 0 0 415.449 6.169 40 5 HKBBRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccccc4[N+](=O)[O-])cc3)nc2c1 ZINC000008198284 568981258 /nfs/dbraw/zinc/98/12/58/568981258.db2.gz PVWVOLCLTPZSNP-HNNXBMFYSA-N 0 0 415.449 6.169 40 5 HKBBRN COc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)c([N+](=O)[O-])c1 ZINC000008319872 568988848 /nfs/dbraw/zinc/98/88/48/568988848.db2.gz LKSSURRHHSLKNB-JXMROGBWSA-N 0 0 412.829 5.477 40 5 HKBBRN Cc1c(C(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)cccc1[N+](=O)[O-] ZINC000008330932 568993081 /nfs/dbraw/zinc/99/30/81/568993081.db2.gz LAABGNURLLFLHY-UHFFFAOYSA-N 0 0 406.221 5.827 40 5 HKBBRN Cc1cc(C(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)ccc1[N+](=O)[O-] ZINC000008336524 568993066 /nfs/dbraw/zinc/99/30/66/568993066.db2.gz VTHMJEQPLNUIHM-UHFFFAOYSA-N 0 0 406.221 5.827 40 5 HKBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1sc2cc(Cl)ccc2c1Cl ZINC000008377628 557784522 /nfs/dbraw/zinc/78/45/22/557784522.db2.gz STOKGUCWIOXBHX-UHFFFAOYSA-N 0 0 401.658 6.022 40 5 HKBBRN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(OCc2ccccc2)cc1 ZINC000008381270 568996236 /nfs/dbraw/zinc/99/62/36/568996236.db2.gz ANJYUSSCBZNNQC-UHFFFAOYSA-N 0 0 405.435 5.036 40 5 HKBBRN O=C(NCCC1=CCCCC1)Nc1ccc2sc3nc4ccccc4nc3c2c1 ZINC000008382125 569340230 /nfs/dbraw/zinc/34/02/30/569340230.db2.gz RAZNIRHAWOPOEY-UHFFFAOYSA-N 0 0 402.523 6.010 40 5 HKBBRN O=C(CN(c1cccc(C(F)(F)F)c1)C1=NCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000008418294 569001623 /nfs/dbraw/zinc/00/16/23/569001623.db2.gz BGVVHCBZNVSYEE-UHFFFAOYSA-N 0 0 419.403 5.275 40 5 HKBBRN O=C(CN(c1cccc(C(F)(F)F)c1)C1=NCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000008418439 569001576 /nfs/dbraw/zinc/00/15/76/569001576.db2.gz ALBWPLUAHNLYAK-UHFFFAOYSA-N 0 0 419.403 5.275 40 5 HKBBRN O=C1c2cccc3cc([N+](=O)[O-])cc(c32)C(=O)N1[C@@H](Cc1ccccc1)c1ccccc1 ZINC000008642229 571097524 /nfs/dbraw/zinc/09/75/24/571097524.db2.gz 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ZINC000009056721 569391235 /nfs/dbraw/zinc/39/12/35/569391235.db2.gz JDTAAIQDEWMYSE-UHFFFAOYSA-N 0 0 417.852 6.024 40 5 HKBBRN O=[N+]([O-])c1ccc(CSc2nnc(C(c3ccccc3)c3ccccc3)o2)cc1 ZINC000009199843 569391841 /nfs/dbraw/zinc/39/18/41/569391841.db2.gz DPKORNIXWQRHHB-UHFFFAOYSA-N 0 0 403.463 5.450 40 5 HKBBRN O=C1S/C(=C/c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1Cc1ccccc1Cl ZINC000009234614 569391947 /nfs/dbraw/zinc/39/19/47/569391947.db2.gz QWBVLCRSZWBFGW-OVCLIPMQSA-N 0 0 409.250 5.138 40 5 HKBBRN O=[N+]([O-])c1ccc(CCOC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000009235189 569391948 /nfs/dbraw/zinc/39/19/48/569391948.db2.gz XFRGXBVRJPMYIH-UHFFFAOYSA-N 0 0 409.485 6.146 40 5 HKBBRN CC(C)(C)c1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009235918 535116555 /nfs/dbraw/zinc/11/65/55/535116555.db2.gz BNZSLMCULYYHLT-QFIPXVFZSA-N 0 0 401.466 5.663 40 5 HKBBRN CC(C)(C)c1ccc(N2C(=O)c3ccccc3N[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009239277 535116958 /nfs/dbraw/zinc/11/69/58/535116958.db2.gz BNZSLMCULYYHLT-JOCHJYFZSA-N 0 0 401.466 5.663 40 5 HKBBRN COc1ccc(Oc2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)cc2)cc1 ZINC000009324464 569392208 /nfs/dbraw/zinc/39/22/08/569392208.db2.gz PRZGVPYGQMTBQH-UHFFFAOYSA-N 0 0 404.378 5.394 40 5 HKBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(-c4ccccc4)cc3)nc21 ZINC000010010562 569394924 /nfs/dbraw/zinc/39/49/24/569394924.db2.gz DXEVELSOSPACIX-UHFFFAOYSA-N 0 0 405.435 5.132 40 5 HKBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3cccc4c(Cl)cccc34)nc21 ZINC000010010603 569394893 /nfs/dbraw/zinc/39/48/93/569394893.db2.gz ABHXWTHDONSOME-UHFFFAOYSA-N 0 0 413.842 5.272 40 5 HKBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)/C=C/c3ccc(-c4ccccc4)o3)nc21 ZINC000010010625 569394963 /nfs/dbraw/zinc/39/49/63/569394963.db2.gz UAASVUOKXJNBAG-CSKARUKUSA-N 0 0 421.434 5.125 40 5 HKBBRN Cc1cccc(CCCNC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c1 ZINC000010110631 569395156 /nfs/dbraw/zinc/39/51/56/569395156.db2.gz IVOYNKZZIGEXSC-HKOYGPOVSA-N 0 0 400.478 5.193 40 5 HKBBRN O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000010120055 569395178 /nfs/dbraw/zinc/39/51/78/569395178.db2.gz LTYVBROZHJDMRY-UHFFFAOYSA-N 0 0 407.813 5.233 40 5 HKBBRN O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000010120056 569395163 /nfs/dbraw/zinc/39/51/63/569395163.db2.gz NXRNTZWPPLQUOL-UHFFFAOYSA-N 0 0 407.813 5.233 40 5 HKBBRN O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000010120059 569395158 /nfs/dbraw/zinc/39/51/58/569395158.db2.gz SMVDXJQETVOEJQ-UHFFFAOYSA-N 0 0 407.813 5.233 40 5 HKBBRN Cc1cc2nc(-c3ccc(CNC(=O)c4cccc([N+](=O)[O-])c4C)cc3)oc2cc1C ZINC000010120364 569395126 /nfs/dbraw/zinc/39/51/26/569395126.db2.gz ATTJGROTXILYFJ-UHFFFAOYSA-N 0 0 415.449 5.258 40 5 HKBBRN Cc1cc2nc(-c3ccc(CNC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)oc2cc1C ZINC000010120365 569395165 /nfs/dbraw/zinc/39/51/65/569395165.db2.gz QFFZTCYBYJANPK-UHFFFAOYSA-N 0 0 415.449 5.258 40 5 HKBBRN Cc1cc2nc(-c3ccc(CNC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3)oc2cc1C ZINC000010120370 569395115 /nfs/dbraw/zinc/39/51/15/569395115.db2.gz JQABASDMEYVJTN-UHFFFAOYSA-N 0 0 415.449 5.258 40 5 HKBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc(-c2cc3ccccc3oc2=O)c1 ZINC000010128839 569395153 /nfs/dbraw/zinc/39/51/53/569395153.db2.gz WZAXYWKVVLDOSK-VAWYXSNFSA-N 0 0 412.401 5.020 40 5 HKBBRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 ZINC000010336630 569395692 /nfs/dbraw/zinc/39/56/92/569395692.db2.gz MLEHVHQFARIOHC-UHFFFAOYSA-N 0 0 402.450 5.376 40 5 HKBBRN O=[N+]([O-])c1cccc(-c2cc(-c3cccc([N+](=O)[O-])c3)c3c(ccc4ccccc43)n2)c1 ZINC000010372588 557861915 /nfs/dbraw/zinc/86/19/15/557861915.db2.gz VWHAZUWNJVWEBW-UHFFFAOYSA-N 0 0 421.412 6.538 40 5 HKBBRN O=[N+]([O-])c1ccc(-c2cc(-c3ccc(Cl)cc3)c3c(ccc4ccccc43)n2)cc1 ZINC000010372600 557861900 /nfs/dbraw/zinc/86/19/00/557861900.db2.gz PFJJDMXUMGNTGO-UHFFFAOYSA-N 0 0 410.860 7.284 40 5 HKBBRN O=[N+]([O-])c1cccc(-c2cc(-c3ccc(Cl)cc3)c3c(ccc4ccccc43)n2)c1 ZINC000010372612 557861879 /nfs/dbraw/zinc/86/18/79/557861879.db2.gz NMJJEMHXGBEMPH-UHFFFAOYSA-N 0 0 410.860 7.284 40 5 HKBBRN Clc1ccc(-c2cc(-c3ccc(Cl)cc3)c3c(ccc4ccccc43)n2)cc1 ZINC000010372616 557861887 /nfs/dbraw/zinc/86/18/87/557861887.db2.gz OXOWMPZDCSKDJH-UHFFFAOYSA-N 0 0 400.308 8.029 40 5 HKBBRN O=C(Nc1ccc(N2CCCC2)c(Cl)c1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000010372856 569395885 /nfs/dbraw/zinc/39/58/85/569395885.db2.gz RTTYNVNVNQOYSO-UHFFFAOYSA-N 0 0 413.905 5.299 40 5 HKBBRN O=C(Nc1cccc(Cl)c1N1CCCC1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000010372859 569395868 /nfs/dbraw/zinc/39/58/68/569395868.db2.gz DQZPYWPQCLYSKF-UHFFFAOYSA-N 0 0 413.905 5.299 40 5 HKBBRN CC1CCN(c2ccc(NC(=O)C3(c4ccc([N+](=O)[O-])cc4)CCCC3)cc2)CC1 ZINC000010372873 132345891 /nfs/dbraw/zinc/34/58/91/132345891.db2.gz BWRBBHARRANCKG-UHFFFAOYSA-N 0 0 407.514 5.282 40 5 HKBBRN O=C(Nc1ccc2c(c1)oc1ccccc12)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000010372889 569395877 /nfs/dbraw/zinc/39/58/77/569395877.db2.gz DWIXXIJIAWOHIU-UHFFFAOYSA-N 0 0 400.434 5.945 40 5 HKBBRN Cc1c(C(=O)Nc2ccccc2SCc2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000010542811 569396605 /nfs/dbraw/zinc/39/66/05/569396605.db2.gz YCSQSDYBUMGXDP-UHFFFAOYSA-N 0 0 412.898 6.101 40 5 HKBBRN Cc1cc(C(=O)Nc2ccccc2SCc2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000010542819 569396574 /nfs/dbraw/zinc/39/65/74/569396574.db2.gz DNPLQLWBOISPNP-UHFFFAOYSA-N 0 0 412.898 6.101 40 5 HKBBRN COc1ccc(-n2c(SCc3cccc([N+](=O)[O-])c3)nnc2-c2ccccc2)cc1 ZINC000011197125 569344583 /nfs/dbraw/zinc/34/45/83/569344583.db2.gz UXEBOYCNJAVZTH-UHFFFAOYSA-N 0 0 418.478 5.143 40 5 HKBBRN O=[N+]([O-])c1ccc(CSc2nnc(Cc3ccccc3)n2-c2ccccc2)cc1 ZINC000012105291 569399653 /nfs/dbraw/zinc/39/96/53/569399653.db2.gz JWZDCQHDEXOPRQ-UHFFFAOYSA-N 0 0 402.479 5.059 40 5 HKBBRN O=[N+]([O-])c1cccc(CSc2nnc(Cc3ccccc3)n2-c2ccccc2)c1 ZINC000012111363 569344567 /nfs/dbraw/zinc/34/45/67/569344567.db2.gz NWHRAWFDPQITNF-UHFFFAOYSA-N 0 0 402.479 5.059 40 5 HKBBRN O=[N+]([O-])c1ccc2nc(N[C@H](c3c[nH]c4ccccc43)c3ccc(O)cc3)sc2c1 ZINC000012360161 569400443 /nfs/dbraw/zinc/40/04/43/569400443.db2.gz SMJOEODWQZVBNH-NRFANRHFSA-N 0 0 416.462 5.593 40 5 HKBBRN CCCC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000012419235 569401102 /nfs/dbraw/zinc/40/11/02/569401102.db2.gz XYPQIRFDKAYILI-FYWRMAATSA-N 0 0 419.437 5.245 40 5 HKBBRN Cc1ccc(C23C[C@H]4C[C@H](CC(CNC(=O)c5cccc([N+](=O)[O-])c5)(C4)C2)C3)cc1 ZINC000012615469 569402099 /nfs/dbraw/zinc/40/20/99/569402099.db2.gz OROCMJWJFXEWJI-VINFYQEGSA-N 0 0 404.510 5.171 40 5 HKBBRN CCOc1ccc(C2=Nc3ccc(Cl)cc3C(c3ccc([N+](=O)[O-])cc3)=NN2)cc1 ZINC000012707557 569402931 /nfs/dbraw/zinc/40/29/31/569402931.db2.gz BKZLMMVJYQMDFC-UHFFFAOYSA-N 0 0 420.856 5.081 40 5 HKBBRN O=C(Nc1ccc2[nH]c3c(ccnc3-c3ccccc3)c2c1)c1ccccc1[N+](=O)[O-] ZINC000012952985 569405131 /nfs/dbraw/zinc/40/51/31/569405131.db2.gz RFGISXPJCQEKJY-UHFFFAOYSA-N 0 0 408.417 5.544 40 5 HKBBRN O=C(Nc1cccc2c3ccnc(-c4ccccc4)c3[nH]c21)c1ccccc1[N+](=O)[O-] ZINC000012952990 569405111 /nfs/dbraw/zinc/40/51/11/569405111.db2.gz AHKQFRJCCPDNGG-UHFFFAOYSA-N 0 0 408.417 5.544 40 5 HKBBRN Cc1cc(C)c2nc3sc4c(ncnc4SCc4ccc(Cl)cc4)c3cc2c1 ZINC000013086105 560793387 /nfs/dbraw/zinc/79/33/87/560793387.db2.gz PCUUGGMIDMUCAA-UHFFFAOYSA-N 0 0 421.978 6.955 40 5 HKBBRN Cc1cc(C)c2cc3c(nc2c1)sc1c3ncnc1SCc1ccc(Cl)cc1 ZINC000013086107 558512563 /nfs/dbraw/zinc/51/25/63/558512563.db2.gz SGZXUPYPTUPCQM-UHFFFAOYSA-N 0 0 421.978 6.955 40 5 HKBBRN COc1ccc2nc3sc4c(ncnc4SCc4ccc(Cl)cc4)c3cc2c1 ZINC000013086109 560793379 /nfs/dbraw/zinc/79/33/79/560793379.db2.gz NWYKILIALCSUDI-UHFFFAOYSA-N 0 0 423.950 6.347 40 5 HKBBRN O=[N+]([O-])c1cccc(/N=c2\scc(-c3ccc(Cl)cc3)n2-c2ccccc2)c1 ZINC000013162962 569410198 /nfs/dbraw/zinc/41/01/98/569410198.db2.gz DHKRGWDRMKJEAT-LNVKXUELSA-N 0 0 407.882 6.000 40 5 HKBBRN O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000013371635 569412371 /nfs/dbraw/zinc/41/23/71/569412371.db2.gz ZIGTYRPRZHJOEE-UHFFFAOYSA-N 0 0 411.628 6.067 40 5 HKBBRN CCOc1ccc2c(c1)C(c1ccc([N+](=O)[O-])cc1)=NNC(c1ccc(Cl)cc1)=N2 ZINC000013388715 569413130 /nfs/dbraw/zinc/41/31/30/569413130.db2.gz PJPHUXPFLNDCGQ-UHFFFAOYSA-N 0 0 420.856 5.081 40 5 HKBBRN COc1ccc(C2=Nc3c4ccccc4ccc3C(c3ccc([N+](=O)[O-])cc3)=NN2)cc1 ZINC000013388721 569413195 /nfs/dbraw/zinc/41/31/95/569413195.db2.gz LFHLOLGISMDEOH-UHFFFAOYSA-N 0 0 422.444 5.191 40 5 HKBBRN O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C(\Cl)c2ccccc2)cc1/C=C\c1ccccc1 ZINC000013403269 558531693 /nfs/dbraw/zinc/53/16/93/558531693.db2.gz FZFHORCIEZPSME-PLPGPOEOSA-N 0 0 406.825 6.410 40 5 HKBBRN O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C\c2ccccc2)cc1/C=C(/Cl)c1ccccc1 ZINC000013403274 569413259 /nfs/dbraw/zinc/41/32/59/569413259.db2.gz FZFHORCIEZPSME-BUGXHRFLSA-N 0 0 406.825 6.410 40 5 HKBBRN O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C(/Cl)c2ccccc2)cc1/C=C/c1ccccc1 ZINC000013403279 569413261 /nfs/dbraw/zinc/41/32/61/569413261.db2.gz FZFHORCIEZPSME-IZOCETQSSA-N 0 0 406.825 6.410 40 5 HKBBRN CC(=O)Nc1ccc(/C=C/c2nc3cc([N+](=O)[O-])ccc3n2-c2ccc(C)cc2)cc1 ZINC000013403880 569413316 /nfs/dbraw/zinc/41/33/16/569413316.db2.gz DXZMBXRCLHCBHG-VGOFMYFVSA-N 0 0 412.449 5.371 40 5 HKBBRN O=[N+]([O-])c1cc([N+](=O)[O-])c(/C(Cl)=C/c2ccccc2)cc1/C=C\c1ccccc1 ZINC000013406692 558531742 /nfs/dbraw/zinc/53/17/42/558531742.db2.gz DYSQENXWMXGQJH-WKLWQRMESA-N 0 0 406.825 6.410 40 5 HKBBRN O=C(Nc1ccc(Br)cc1[N+](=O)[O-])c1sc2ccccc2c1Cl ZINC000013477046 560811022 /nfs/dbraw/zinc/81/10/22/560811022.db2.gz QHVLMKWGGTZODH-UHFFFAOYSA-N 0 0 411.664 5.478 40 5 HKBBRN O=C(Nc1nnc(-c2ccc(Cl)cc2Cl)s1)Nc1ccc([N+](=O)[O-])cc1 ZINC000013563514 558843552 /nfs/dbraw/zinc/84/35/52/558843552.db2.gz BABLBXUCYQPAFW-UHFFFAOYSA-N 0 0 410.242 5.064 40 5 HKBBRN O=c1oc2ccc3ccccc3c2cc1-c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000013616069 558549442 /nfs/dbraw/zinc/54/94/42/558549442.db2.gz YQQUGWZTPUZGMG-UHFFFAOYSA-N 0 0 424.308 7.044 40 5 HKBBRN O=[N+]([O-])c1cc(-c2nc3c([nH]2)c2ccccc2c2ccccc32)ccc1Br ZINC000013616846 560824061 /nfs/dbraw/zinc/82/40/61/560824061.db2.gz DPEMWWMCRAAYRP-UHFFFAOYSA-N 0 0 418.250 6.207 40 5 HKBBRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccccc3[N+](=O)[O-])c2)cc1 ZINC000013628087 558848588 /nfs/dbraw/zinc/84/85/88/558848588.db2.gz FQHKMPDJTUVMIF-UHFFFAOYSA-N 0 0 417.465 5.397 40 5 HKBBRN Cc1ccc(C(=O)Nc2ccccc2SCc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000013668549 558852992 /nfs/dbraw/zinc/85/29/92/558852992.db2.gz RSYKMFKCOKIRIB-UHFFFAOYSA-N 0 0 412.898 6.101 40 5 HKBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(OCc2ccccc2Cl)cc1 ZINC000013687875 558854970 /nfs/dbraw/zinc/85/49/70/558854970.db2.gz BFMPKAGVIOWMGC-UHFFFAOYSA-N 0 0 417.248 5.733 40 5 HKBBRN CC[C@H]1[C@H](C)[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000013757230 132459207 /nfs/dbraw/zinc/45/92/07/132459207.db2.gz AHJVMUCXWPUDTK-OZWPHOJSSA-N 0 0 415.493 5.823 40 5 HKBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1nc(-c2cccc3ccccc32)cs1 ZINC000013953817 560830766 /nfs/dbraw/zinc/83/07/66/560830766.db2.gz LKGXCKCQULKEOJ-VAWYXSNFSA-N 0 0 401.447 5.523 40 5 HKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000013964507 559013508 /nfs/dbraw/zinc/01/35/08/559013508.db2.gz IZORCWGXXFJRMY-UHFFFAOYSA-N 0 0 417.852 6.024 40 5 HKBBRN COc1cc2ccccc2cc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000014376728 569344887 /nfs/dbraw/zinc/34/48/87/569344887.db2.gz FZZPYROQUZFILM-UHFFFAOYSA-N 0 0 405.435 5.132 40 5 HKBBRN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000014413291 559165601 /nfs/dbraw/zinc/16/56/01/559165601.db2.gz MPVCJYANNLSSFW-UHFFFAOYSA-N 0 0 403.221 5.946 40 5 HKBBRN CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000014582962 560846307 /nfs/dbraw/zinc/84/63/07/560846307.db2.gz DQYMQKLFZVHOQV-UHFFFAOYSA-N 0 0 402.756 5.308 40 5 HKBBRN Cc1nn2c(c1-c1ccccc1)N=C(c1cccc([N+](=O)[O-])c1)C[C@@H]2c1ccncc1 ZINC000014607584 559170715 /nfs/dbraw/zinc/17/07/15/559170715.db2.gz ZLEYACAJVKKWLU-JOCHJYFZSA-N 0 0 409.449 5.276 40 5 HKBBRN Cc1nn2c(c1-c1ccccc1)N=C(c1cccc([N+](=O)[O-])c1)C[C@H]2c1ccncc1 ZINC000014607585 559170710 /nfs/dbraw/zinc/17/07/10/559170710.db2.gz ZLEYACAJVKKWLU-QFIPXVFZSA-N 0 0 409.449 5.276 40 5 HKBBRN Cc1nn2c(c1-c1ccccc1)N=C(c1ccc([N+](=O)[O-])cc1)C[C@@H]2c1ccccn1 ZINC000014607614 560847068 /nfs/dbraw/zinc/84/70/68/560847068.db2.gz OXZSHSFVPLUQBL-JOCHJYFZSA-N 0 0 409.449 5.276 40 5 HKBBRN Cc1nn2c(c1-c1ccccc1)N=C(c1ccc([N+](=O)[O-])cc1)C[C@H]2c1ccccn1 ZINC000014607615 559170694 /nfs/dbraw/zinc/17/06/94/559170694.db2.gz OXZSHSFVPLUQBL-QFIPXVFZSA-N 0 0 409.449 5.276 40 5 HKBBRN COc1c(CC=C(C)C)c(O)c2c(=O)c3cccc(O)c3n(C)c2c1CC=C(C)C ZINC000014780665 291293380 /nfs/dbraw/zinc/29/33/80/291293380.db2.gz XCHVRLXEQIEULZ-UHFFFAOYSA-N 0 0 407.510 5.129 40 5 biogenic,in-vitro HKBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(Br)cc1Cl ZINC000014785202 560849752 /nfs/dbraw/zinc/84/97/52/560849752.db2.gz XWGMFEGMCVAXLL-QHHAFSJGSA-N 0 0 416.058 5.316 40 5 HKBBRN O=C(Nc1ccccc1Br)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000014877586 560884241 /nfs/dbraw/zinc/88/42/41/560884241.db2.gz AQRAKYFKGWNQJH-UHFFFAOYSA-N 0 0 421.634 5.523 40 5 HKBBRN Cc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)nc1-c1ccc(Br)cc1 ZINC000014911522 568455118 /nfs/dbraw/zinc/45/51/18/568455118.db2.gz RBZPFLLZPQQIBH-UHFFFAOYSA-N 0 0 418.272 5.042 40 5 HKBBRN COCc1cc(C)nc2sc3c(nc(C)c4sc5nc(C)cc(COC)c5c34)c21 ZINC000015022013 558986874 /nfs/dbraw/zinc/98/68/74/558986874.db2.gz GHUISVVXVWJPMM-UHFFFAOYSA-N 0 0 423.563 5.825 40 5 HKBBRN O=C(Nc1cc(Cl)ccc1Oc1ccccc1F)c1cc([N+](=O)[O-])ccc1Cl ZINC000015304265 568871710 /nfs/dbraw/zinc/87/17/10/568871710.db2.gz SJHJZUJBMGMFJZ-UHFFFAOYSA-N 0 0 421.211 6.085 40 5 HKBBRN O=C(Nc1cccc(Cl)c1Cl)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000015425684 560842348 /nfs/dbraw/zinc/84/23/48/560842348.db2.gz VHJMZZWPYVXPLK-UHFFFAOYSA-N 0 0 411.628 6.067 40 5 HKBBRN O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000015539005 568947480 /nfs/dbraw/zinc/94/74/80/568947480.db2.gz BTKQMXNIODALDM-UHFFFAOYSA-N 0 0 413.783 5.120 40 5 HKBBRN CCc1ccc(-c2nn3c4cc(N5CCCCC5)ccc4nc3c3ccccc32)cc1 ZINC000016162072 560859881 /nfs/dbraw/zinc/85/98/81/560859881.db2.gz QVSDEJUQNVWEBI-UHFFFAOYSA-N 0 0 406.533 6.255 40 5 HKBBRN COc1ccc(-c2csc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)n2)cc1 ZINC000016217463 569029901 /nfs/dbraw/zinc/02/99/01/569029901.db2.gz IWCYHVFSDWBFCL-UHFFFAOYSA-N 0 0 421.434 5.239 40 5 HKBBRN COc1ccccc1Nc1nc(Nc2cccc(C(F)(F)F)c2)nc(C)c1[N+](=O)[O-] ZINC000016249521 569030299 /nfs/dbraw/zinc/03/02/99/569030299.db2.gz VPAGGSUGZITIJN-UHFFFAOYSA-N 0 0 419.363 5.208 40 5 HKBBRN Cc1onc(-c2ccccc2Cl)c1C(=O)Sc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000016249553 569030306 /nfs/dbraw/zinc/03/03/06/569030306.db2.gz OFWOSISYNMCOTG-UHFFFAOYSA-N 0 0 414.830 5.020 40 5 HKBBRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1C ZINC000016268088 569030406 /nfs/dbraw/zinc/03/04/06/569030406.db2.gz CSXHBJHFMSNMEX-ONEGZZNKSA-N 0 0 415.660 5.524 40 5 HKBBRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000016284484 525688282 /nfs/dbraw/zinc/68/82/82/525688282.db2.gz DGNONYQNVXJYJV-UHFFFAOYSA-N 0 0 423.432 5.043 40 5 HKBBRN Cc1ccc(C)c(-c2nn3c4cc(N5CCCCC5)ccc4nc3c3ccccc32)c1 ZINC000016291394 560859868 /nfs/dbraw/zinc/85/98/68/560859868.db2.gz KUGPGQVIBIVNFU-UHFFFAOYSA-N 0 0 406.533 6.310 40 5 HKBBRN Cc1ccc(/N=c2\oc3ccc4ccccc4c3cc2-c2nc3ccccc3s2)cc1 ZINC000016291654 525973017 /nfs/dbraw/zinc/97/30/17/525973017.db2.gz QMVVHDMUHUFVTI-SGEDCAFJSA-N 0 0 418.521 7.404 40 5 HKBBRN Cc1ccc(-c2nn3c4cc(N5CCCCC5)ccc4nc3c3ccccc32)cc1C ZINC000016312639 560859861 /nfs/dbraw/zinc/85/98/61/560859861.db2.gz BWJLSYNTSSRONA-UHFFFAOYSA-N 0 0 406.533 6.310 40 5 HKBBRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)o2)cc1Cl ZINC000016313041 569031262 /nfs/dbraw/zinc/03/12/62/569031262.db2.gz PIDKFOUPGVCPFV-RMKNXTFCSA-N 0 0 417.248 6.122 40 5 HKBBRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)o2)cc1Cl ZINC000016346689 569031668 /nfs/dbraw/zinc/03/16/68/569031668.db2.gz FBITYAOILHTNLD-RMKNXTFCSA-N 0 0 417.248 6.122 40 5 HKBBRN Cc1cccc(/N=c2\oc3ccc4ccccc4c3cc2-c2nc3ccccc3s2)c1 ZINC000016349010 558787550 /nfs/dbraw/zinc/78/75/50/558787550.db2.gz IKUCCJGIRJNSNO-SGEDCAFJSA-N 0 0 418.521 7.404 40 5 HKBBRN Cc1nc(Nc2ccc3ccccc3c2)c([N+](=O)[O-])c(Nc2ccc3ccccc3c2)n1 ZINC000016363247 569032252 /nfs/dbraw/zinc/03/22/52/569032252.db2.gz XTPKPFKVNISQTL-UHFFFAOYSA-N 0 0 421.460 6.487 40 5 HKBBRN Cc1nc(Nc2cccc3ccccc32)c([N+](=O)[O-])c(Nc2cccc3ccccc32)n1 ZINC000016363249 569032271 /nfs/dbraw/zinc/03/22/71/569032271.db2.gz CWWKZLLYDMVKAF-UHFFFAOYSA-N 0 0 421.460 6.487 40 5 HKBBRN O=[N+]([O-])c1cccc(Cl)c1Oc1ccc(COc2c(Cl)cccc2Cl)cc1 ZINC000016384073 569040164 /nfs/dbraw/zinc/04/01/64/569040164.db2.gz WGJQMQTZKUYMBX-UHFFFAOYSA-N 0 0 424.667 6.926 40 5 HKBBRN O=C(COc1ccc(Cl)cc1Cl)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000016399993 569041120 /nfs/dbraw/zinc/04/11/20/569041120.db2.gz QSSMQEHWZNPJQW-UHFFFAOYSA-N 0 0 424.265 5.043 40 5 HKBBRN O=[N+]([O-])c1ccc(CSCCCCCCSCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000016401859 569041215 /nfs/dbraw/zinc/04/12/15/569041215.db2.gz MHMKQXHPROYDDK-UHFFFAOYSA-N 0 0 420.556 6.230 40 5 HKBBRN O=C(Nc1nc2cc(Cl)ccc2s1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000016430916 569050212 /nfs/dbraw/zinc/05/02/12/569050212.db2.gz OJNSUPSQZXLOQU-UHFFFAOYSA-N 0 0 424.290 5.978 40 5 HKBBRN O=C(Nc1ccccc1Cl)c1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000016450399 569051456 /nfs/dbraw/zinc/05/14/56/569051456.db2.gz FYAQWWQTUJXQQP-UHFFFAOYSA-N 0 0 413.773 5.201 40 5 HKBBRN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(Br)cc1 ZINC000016450591 569051387 /nfs/dbraw/zinc/05/13/87/569051387.db2.gz MXZKIVYKGDGOHK-ZRDIBKRKSA-N 0 0 413.227 5.269 40 5 HKBBRN O=C1S/C(=C/c2ccccc2)C(=O)N1CNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000016450791 569051463 /nfs/dbraw/zinc/05/14/63/569051463.db2.gz DYTLARDYKHHFEQ-MKMNVTDBSA-N 0 0 424.265 5.008 40 5 HKBBRN O=[N+]([O-])c1ccc(NC(=S)Nc2ccccc2)cc1NC(=S)Nc1ccccc1 ZINC000016490009 569055993 /nfs/dbraw/zinc/05/59/93/569055993.db2.gz XKCQGJDMDMOYSS-UHFFFAOYSA-N 0 0 423.523 5.213 40 5 HKBBRN O=C(Oc1ccccc1)c1cc(Sc2ccc([N+](=O)[O-])cc2)c2ccccc2c1O ZINC000016490617 569055654 /nfs/dbraw/zinc/05/56/54/569055654.db2.gz QQSCWZWMQMINQF-UHFFFAOYSA-N 0 0 417.442 5.824 40 5 HKBBRN O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)c1cc([N+](=O)[O-])cs1 ZINC000016491933 569055999 /nfs/dbraw/zinc/05/59/99/569055999.db2.gz YTQMGXOFSGFHPF-UHFFFAOYSA-N 0 0 421.503 5.688 40 5 HKBBRN O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccc([N+](=O)[O-])cc1 ZINC000016492167 569057409 /nfs/dbraw/zinc/05/74/09/569057409.db2.gz OPVNMLHSWNEENL-UHFFFAOYSA-N 0 0 416.458 5.892 40 5 HKBBRN O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1cccc([N+](=O)[O-])c1 ZINC000016492171 569055818 /nfs/dbraw/zinc/05/58/18/569055818.db2.gz YAKNQRBHALYLRA-UHFFFAOYSA-N 0 0 416.458 5.892 40 5 HKBBRN O=Cc1cc([N+](=O)[O-])ccc1Sc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000016492264 569055912 /nfs/dbraw/zinc/05/59/12/569055912.db2.gz BBIVJLHOQIQCSN-UHFFFAOYSA-N 0 0 402.431 5.881 40 5 HKBBRN NC(=O)c1ccc(Sc2nc(-c3ccccc3)c(-c3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000016492272 569055930 /nfs/dbraw/zinc/05/59/30/569055930.db2.gz VNQWUZVUCCSCSZ-UHFFFAOYSA-N 0 0 417.446 5.167 40 5 HKBBRN O=Cc1ccc(Sc2nc(-c3ccccc3)c(-c3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000016492279 569056043 /nfs/dbraw/zinc/05/60/43/569056043.db2.gz AAWVXBAIVPCDNB-UHFFFAOYSA-N 0 0 402.431 5.881 40 5 HKBBRN O=[N+]([O-])c1ccc(Sc2nc(-c3ccccc3)c(-c3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000016492287 569055945 /nfs/dbraw/zinc/05/59/45/569055945.db2.gz HZICYUPYOAIUEX-UHFFFAOYSA-N 0 0 419.418 5.976 40 5 HKBBRN O=[N+]([O-])c1ccc(CSc2nc(-c3ccccc3)sc2Nc2ccccc2)cc1 ZINC000016493388 527354490 /nfs/dbraw/zinc/35/44/90/527354490.db2.gz IZSKMJMDGCCTLN-UHFFFAOYSA-N 0 0 419.531 6.754 40 5 HKBBRN Oc1cccc(/N=c2\oc3ccc4ccccc4c3cc2-c2nc3ccccc3s2)c1 ZINC000016526077 560860984 /nfs/dbraw/zinc/86/09/84/560860984.db2.gz TTXAUVPZPZXLDT-RFBIWTDZSA-N 0 0 420.493 6.801 40 5 HKBBRN O=C(CSc1nc2ccccc2s1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000016545453 569058637 /nfs/dbraw/zinc/05/86/37/569058637.db2.gz CLFURDVGGJRNQN-UHFFFAOYSA-N 0 0 422.487 5.972 40 5 HKBBRN O=C(Nc1cc(Sc2ccccn2)cc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl ZINC000016545985 569058659 /nfs/dbraw/zinc/05/86/59/569058659.db2.gz YCBPTSHTUFATMX-UHFFFAOYSA-N 0 0 420.277 5.700 40 5 HKBBRN CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000016637046 569061093 /nfs/dbraw/zinc/06/10/93/569061093.db2.gz UYEBPTZKPKXKOV-WEVVVXLNSA-N 0 0 422.268 5.292 40 5 HKBBRN Cc1ccc(-c2cs/c(=N\C(=O)c3ccccc3)n2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000016711349 569261372 /nfs/dbraw/zinc/26/13/72/569261372.db2.gz MZWSYWVGNICMDQ-VHXPQNKSSA-N 0 0 415.474 5.164 40 5 HKBBRN Cc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)sc2nc(-c3ccccc3)cn12 ZINC000016740409 558803315 /nfs/dbraw/zinc/80/33/15/558803315.db2.gz JHQUYEPZPAWXJA-UHFFFAOYSA-N 0 0 412.858 5.185 40 5 HKBBRN Cc1c(C(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])sc2nc(-c3ccccc3)cn12 ZINC000016740412 569262103 /nfs/dbraw/zinc/26/21/03/569262103.db2.gz LBOXMBNDQILCHY-UHFFFAOYSA-N 0 0 412.858 5.185 40 5 HKBBRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(-c2ccccn2)nc2ccccc21 ZINC000016740447 569261929 /nfs/dbraw/zinc/26/19/29/569261929.db2.gz PDEBTOBEGKUQGH-UHFFFAOYSA-N 0 0 404.813 5.111 40 5 HKBBRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(-c2ccncc2)nc2ccccc21 ZINC000016740470 569261963 /nfs/dbraw/zinc/26/19/63/569261963.db2.gz TZNFQBYRMOLUIX-UHFFFAOYSA-N 0 0 404.813 5.111 40 5 HKBBRN CCn1c2c3ccccc3c(C(=O)c3ccc(C)cc3)n2c2c3ccccc3oc2c1=O ZINC000016756699 558805799 /nfs/dbraw/zinc/80/57/99/558805799.db2.gz YRISCHKOHORREK-UHFFFAOYSA-N 0 0 420.468 5.713 40 5 HKBBRN Cn1c2c3c(ccc4ccccc34)c(C(=O)c3ccccc3)n2c2ccccc2c1=O ZINC000016756746 558805797 /nfs/dbraw/zinc/80/57/97/558805797.db2.gz QPOBZWOHSHAEMC-UHFFFAOYSA-N 0 0 402.453 5.329 40 5 HKBBRN Cc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccccc2)cc1 ZINC000016788703 569263186 /nfs/dbraw/zinc/26/31/86/569263186.db2.gz POGVMTLBECWJPD-UHFFFAOYSA-N 0 0 402.479 5.443 40 5 HKBBRN O=[N+]([O-])c1ccc(-c2cs/c(=N\Cc3ccccc3)n2Cc2ccccc2)cc1 ZINC000016804905 569263219 /nfs/dbraw/zinc/26/32/19/569263219.db2.gz NTSIICWSUCLSHE-VHXPQNKSSA-N 0 0 401.491 5.274 40 5 HKBBRN Cc1ccc(/C=C/c2cc(/C=C\c3ccc(C)cc3)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000016926235 558809352 /nfs/dbraw/zinc/80/93/52/558809352.db2.gz UPSJIAGITQEPAG-HEEUSZRZSA-N 0 0 400.434 6.461 40 5 HKBBRN O=c1[nH]c(-c2ccccc2)nc2cc([N+](=O)[O-])c(C(Cl)=Cc3ccccc3)cc12 ZINC000016953224 558809776 /nfs/dbraw/zinc/80/97/76/558809776.db2.gz RXDOLZCKFNLTOY-WQRHYEAKSA-N 0 0 403.825 5.648 40 5 HKBBRN O=C1/C(=C/c2ccc(Cl)cc2)S[C@@H]2SC=C(c3ccc([N+](=O)[O-])cc3)N12 ZINC000016958420 569268729 /nfs/dbraw/zinc/26/87/29/569268729.db2.gz CQJDQSFWJMGKQB-VUZIPCMWSA-N 0 0 402.884 5.194 40 5 HKBBRN CC[C@H](CO)Nc1nc2cc(Br)ccc2c2ccc(Br)cc21 ZINC000016980531 558811156 /nfs/dbraw/zinc/81/11/56/558811156.db2.gz OMXCYYDRTRHWFZ-GFCCVEGCSA-N 0 0 424.136 5.096 40 5 HKBBRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)o2)cc1Cl ZINC000017082075 569272836 /nfs/dbraw/zinc/27/28/36/569272836.db2.gz SIGZJSUBAAYTCF-RMKNXTFCSA-N 0 0 400.793 5.608 40 5 HKBBRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cc([N+](=O)[O-])ccc3F)o2)cc1Cl ZINC000017082076 569273098 /nfs/dbraw/zinc/27/30/98/569273098.db2.gz RCTFATGBMKRIDZ-RMKNXTFCSA-N 0 0 400.793 5.608 40 5 HKBBRN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccc(OCc2ccccc2)c1 ZINC000017083154 569273145 /nfs/dbraw/zinc/27/31/45/569273145.db2.gz QQGPLNGPUFLPQT-UHFFFAOYSA-N 0 0 405.435 5.036 40 5 HKBBRN Cc1ccc(C(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)cc1[N+](=O)[O-] ZINC000017083303 569273069 /nfs/dbraw/zinc/27/30/69/569273069.db2.gz WERLLQBWYKNXJH-UHFFFAOYSA-N 0 0 406.221 5.827 40 5 HKBBRN COc1ccc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1[N+](=O)[O-] ZINC000017087593 569272985 /nfs/dbraw/zinc/27/29/85/569272985.db2.gz BDLBYFAMPWXYDJ-UHFFFAOYSA-N 0 0 407.209 5.423 40 5 HKBBRN COc1ccc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1[N+](=O)[O-] ZINC000017087594 569273109 /nfs/dbraw/zinc/27/31/09/569273109.db2.gz DJXULDQJGHNXGR-UHFFFAOYSA-N 0 0 407.209 5.423 40 5 HKBBRN CC1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2Cl)CC1 ZINC000017087836 569274393 /nfs/dbraw/zinc/27/43/93/569274393.db2.gz RZHRMXUUVUYUSP-UHFFFAOYSA-N 0 0 408.285 5.390 40 5 HKBBRN CC1CCN(c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000017087837 569274087 /nfs/dbraw/zinc/27/40/87/569274087.db2.gz GYALQUCTJQWWSH-UHFFFAOYSA-N 0 0 408.285 5.390 40 5 HKBBRN CC1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2Cl)CC1 ZINC000017087838 569273877 /nfs/dbraw/zinc/27/38/77/569273877.db2.gz LOMWUOSHDLZYQI-UHFFFAOYSA-N 0 0 408.285 5.390 40 5 HKBBRN Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000017088104 569274255 /nfs/dbraw/zinc/27/42/55/569274255.db2.gz WIUVAPWPNBNXKC-UHFFFAOYSA-N 0 0 408.801 5.012 40 5 HKBBRN CC(C)c1ccccc1NC(=S)NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000017088237 569274300 /nfs/dbraw/zinc/27/43/00/569274300.db2.gz XJFNEXNXVUWZOX-UHFFFAOYSA-N 0 0 409.467 5.105 40 5 HKBBRN CC(C)c1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000017088249 569274481 /nfs/dbraw/zinc/27/44/81/569274481.db2.gz ZGNJCAOERARVFE-UHFFFAOYSA-N 0 0 409.467 5.105 40 5 HKBBRN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cccc2c(Cl)cccc12 ZINC000017088361 569274615 /nfs/dbraw/zinc/27/46/15/569274615.db2.gz HVTKUASMYMNFIW-UHFFFAOYSA-N 0 0 409.854 5.777 40 5 HKBBRN O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1ccccc1[N+](=O)[O-] ZINC000017088362 569273848 /nfs/dbraw/zinc/27/38/48/569273848.db2.gz ZCXLGEPMNJAZQM-UHFFFAOYSA-N 0 0 409.854 5.777 40 5 HKBBRN O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1 ZINC000017088363 569274007 /nfs/dbraw/zinc/27/40/07/569274007.db2.gz NLYYAFSFBPFYRD-UHFFFAOYSA-N 0 0 409.854 5.777 40 5 HKBBRN O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000017088676 569274488 /nfs/dbraw/zinc/27/44/88/569274488.db2.gz UUGHNTVILHNUTR-UHFFFAOYSA-N 0 0 410.735 5.779 40 5 HKBBRN Cc1ccc(C(C)C)c(OCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 ZINC000017088889 569274599 /nfs/dbraw/zinc/27/45/99/569274599.db2.gz IIAIZXMUCJNMGH-UHFFFAOYSA-N 0 0 411.483 5.168 40 5 HKBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/c1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000017089388 569273350 /nfs/dbraw/zinc/27/33/50/569273350.db2.gz HBHKOPVYSYODJQ-JXMROGBWSA-N 0 0 412.829 5.477 40 5 HKBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000017089389 569273843 /nfs/dbraw/zinc/27/38/43/569273843.db2.gz MXQIYCDOGQHERR-JXMROGBWSA-N 0 0 412.829 5.477 40 5 HKBBRN Cc1cc(C)cc(-c2nc3cc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)ccc3o2)c1 ZINC000017089519 569273747 /nfs/dbraw/zinc/27/37/47/569273747.db2.gz MTFIESHZGORXOP-RMKNXTFCSA-N 0 0 413.433 5.672 40 5 HKBBRN CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000017089707 569274252 /nfs/dbraw/zinc/27/42/52/569274252.db2.gz RDAQZSXSGGLIGT-UHFFFAOYSA-N 0 0 413.817 5.109 40 5 HKBBRN Cc1ccc([N+](=O)[O-])c(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)c1C ZINC000017089715 569274379 /nfs/dbraw/zinc/27/43/79/569274379.db2.gz GFVFAARXFHRBIB-UHFFFAOYSA-N 0 0 413.886 5.145 40 5 HKBBRN COc1c(Br)c2ccccc2cc1C(=O)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000017090192 569274204 /nfs/dbraw/zinc/27/42/04/569274204.db2.gz ZKMXSOVGBMIFPZ-UHFFFAOYSA-N 0 0 415.243 5.080 40 5 HKBBRN COc1c(Br)c2ccccc2cc1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000017090193 569274491 /nfs/dbraw/zinc/27/44/91/569274491.db2.gz HELAWNNZCVPKBY-UHFFFAOYSA-N 0 0 415.243 5.080 40 5 HKBBRN Cc1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1[N+](=O)[O-] ZINC000017090245 569274640 /nfs/dbraw/zinc/27/46/40/569274640.db2.gz KXXKKVDLQJPEJS-UHFFFAOYSA-N 0 0 415.405 5.154 40 5 HKBBRN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000017090302 569273395 /nfs/dbraw/zinc/27/33/95/569273395.db2.gz QRLMRZGPJMHVPD-FMIVXFBMSA-N 0 0 415.474 5.832 40 5 HKBBRN COc1ccc(-c2csc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1 ZINC000017090423 569273993 /nfs/dbraw/zinc/27/39/93/569273993.db2.gz SWYPOXSWOGACFP-YCRREMRBSA-N 0 0 415.858 5.032 40 5 HKBBRN Cc1c(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cccc1[N+](=O)[O-] ZINC000017090950 569274416 /nfs/dbraw/zinc/27/44/16/569274416.db2.gz HXMRYRAAIXYHPT-JXMROGBWSA-N 0 0 417.248 6.122 40 5 HKBBRN Cc1c(NC(=O)/C=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cccc1[N+](=O)[O-] ZINC000017090951 569273316 /nfs/dbraw/zinc/27/33/16/569273316.db2.gz RIICBOOVVIVFEV-PKNBQFBNSA-N 0 0 417.248 6.122 40 5 HKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000017090952 569274188 /nfs/dbraw/zinc/27/41/88/569274188.db2.gz CISOVTYADOLICS-RMKNXTFCSA-N 0 0 417.248 6.122 40 5 HKBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000017090953 569273627 /nfs/dbraw/zinc/27/36/27/569273627.db2.gz FLNIBBUYHXDHCL-WEVVVXLNSA-N 0 0 417.248 6.122 40 5 HKBBRN Cc1c(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cccc1[N+](=O)[O-] ZINC000017090954 569274065 /nfs/dbraw/zinc/27/40/65/569274065.db2.gz XGOMLHFAWGLDMP-SOFGYWHQSA-N 0 0 417.248 6.122 40 5 HKBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000017090955 569274167 /nfs/dbraw/zinc/27/41/67/569274167.db2.gz BCDJOLUTSUPLKO-QPJJXVBHSA-N 0 0 417.248 6.122 40 5 HKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000017090956 569273754 /nfs/dbraw/zinc/27/37/54/569273754.db2.gz OKIIAWRKNMGICT-FNORWQNLSA-N 0 0 417.248 6.122 40 5 HKBBRN Cc1ccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c([N+](=O)[O-])c1 ZINC000017090957 569273453 /nfs/dbraw/zinc/27/34/53/569273453.db2.gz LZBOWBVUFHEXLL-QPJJXVBHSA-N 0 0 417.248 6.122 40 5 HKBBRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1Cl ZINC000017090958 569273641 /nfs/dbraw/zinc/27/36/41/569273641.db2.gz OHVGPBNYAWBFAH-RMKNXTFCSA-N 0 0 417.248 6.122 40 5 HKBBRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000017091019 569273690 /nfs/dbraw/zinc/27/36/90/569273690.db2.gz AUPYUBRNTZLOKU-UHFFFAOYSA-N 0 0 417.421 5.281 40 5 HKBBRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000017091020 569273892 /nfs/dbraw/zinc/27/38/92/569273892.db2.gz GANABFQLBCCOOW-UHFFFAOYSA-N 0 0 417.421 5.281 40 5 HKBBRN Cc1ccc(-c2nc3cc(NC(=O)COc4ccc([N+](=O)[O-])cc4)ccc3o2)c(C)c1 ZINC000017091021 569274643 /nfs/dbraw/zinc/27/46/43/569274643.db2.gz YSBXFRJCKAKYIW-UHFFFAOYSA-N 0 0 417.421 5.037 40 5 HKBBRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000017091022 569273399 /nfs/dbraw/zinc/27/33/99/569273399.db2.gz LHJWMFXEPWZUQG-UHFFFAOYSA-N 0 0 417.421 5.281 40 5 HKBBRN Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2C)c1Cl ZINC000017091220 569273535 /nfs/dbraw/zinc/27/35/35/569273535.db2.gz HBTRTDDBJFVDOS-UHFFFAOYSA-N 0 0 417.676 5.498 40 5 HKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1c(Cl)c(C)c(Cl)c(C)c1Cl ZINC000017091221 569273369 /nfs/dbraw/zinc/27/33/69/569273369.db2.gz AYACTFSVXIQGOE-UHFFFAOYSA-N 0 0 417.676 5.498 40 5 HKBBRN Cc1ccc(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)c([N+](=O)[O-])c1 ZINC000017091222 560866042 /nfs/dbraw/zinc/86/60/42/560866042.db2.gz BOVWMYBDURPISG-UHFFFAOYSA-N 0 0 417.676 5.498 40 5 HKBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)C=Cc1ccc(C(C)C)cc1 ZINC000017091263 569273506 /nfs/dbraw/zinc/27/35/06/569273506.db2.gz AYWOFWUMNAAPND-RMKNXTFCSA-N 0 0 417.918 5.206 40 5 HKBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)OCc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000017091309 569274043 /nfs/dbraw/zinc/27/40/43/569274043.db2.gz AMVULEVAVKCWBY-JXMROGBWSA-N 0 0 418.232 5.918 40 5 HKBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000017091668 569274093 /nfs/dbraw/zinc/27/40/93/569274093.db2.gz HWVBPPNLYZGLGR-PKNBQFBNSA-N 0 0 418.840 5.443 40 5 HKBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000017091669 569273870 /nfs/dbraw/zinc/27/38/70/569273870.db2.gz SKYQYYCEMOYZAG-WUXMJOGZSA-N 0 0 418.840 5.443 40 5 HKBBRN CCOc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000017091817 569274248 /nfs/dbraw/zinc/27/42/48/569274248.db2.gz SMPTUGSTKQAPQK-UHFFFAOYSA-N 0 0 419.462 5.523 40 5 HKBBRN O=C(NC(=S)Nc1ccc(Cl)cc1[N+](=O)[O-])c1cccc2c(Cl)cccc12 ZINC000017092084 569274039 /nfs/dbraw/zinc/27/40/39/569274039.db2.gz YQBGEOUXYGLODZ-UHFFFAOYSA-N 0 0 420.277 5.182 40 5 HKBBRN O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl)c1cccc2c(Cl)cccc12 ZINC000017092085 569274647 /nfs/dbraw/zinc/27/46/47/569274647.db2.gz RPFBMTGQAQXRDJ-UHFFFAOYSA-N 0 0 420.277 5.182 40 5 HKBBRN O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc2c(Cl)cccc12 ZINC000017092086 569273618 /nfs/dbraw/zinc/27/36/18/569273618.db2.gz VLTFTSYMIGQYJI-UHFFFAOYSA-N 0 0 420.277 5.182 40 5 HKBBRN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000017092087 569273599 /nfs/dbraw/zinc/27/35/99/569273599.db2.gz GCGNELIDXOOBMW-FNORWQNLSA-N 0 0 420.277 5.677 40 5 HKBBRN O=C(NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc2c(Cl)cccc12 ZINC000017092088 569274405 /nfs/dbraw/zinc/27/44/05/569274405.db2.gz KEENJNJZULLNNP-UHFFFAOYSA-N 0 0 420.277 5.182 40 5 HKBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1 ZINC000017092438 569273996 /nfs/dbraw/zinc/27/39/96/569273996.db2.gz JYXIAMJEIQMMMF-RMKNXTFCSA-N 0 0 420.812 5.103 40 5 HKBBRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000017092565 569273528 /nfs/dbraw/zinc/27/35/28/569273528.db2.gz BDMIMACHEMWUDM-ZZXKWVIFSA-N 0 0 421.211 5.953 40 5 HKBBRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1cc([N+](=O)[O-])ccc1F ZINC000017092566 569273501 /nfs/dbraw/zinc/27/35/01/569273501.db2.gz KQZFWEXFLSOOMY-ZZXKWVIFSA-N 0 0 421.211 5.953 40 5 HKBBRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1cc([N+](=O)[O-])ccc1F ZINC000017092567 569273781 /nfs/dbraw/zinc/27/37/81/569273781.db2.gz AHMYMYUTMFMPTL-XBXARRHUSA-N 0 0 421.211 5.953 40 5 HKBBRN COc1ccc(-c2csc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)n2)cc1 ZINC000017092652 569273460 /nfs/dbraw/zinc/27/34/60/569273460.db2.gz AWEGROWQNWJVKT-UHFFFAOYSA-N 0 0 421.434 5.239 40 5 HKBBRN Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c1Cl ZINC000017092807 569274179 /nfs/dbraw/zinc/27/41/79/569274179.db2.gz WBSMBBDIOYSFKD-UHFFFAOYSA-N 0 0 421.639 5.328 40 5 HKBBRN Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1Cl ZINC000017092808 569274600 /nfs/dbraw/zinc/27/46/00/569274600.db2.gz PFEWAZSRPUSIPM-UHFFFAOYSA-N 0 0 421.639 5.328 40 5 HKBBRN Cc1cc(C)cc(-c2nc3cc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)ccc3o2)c1 ZINC000017092820 569273479 /nfs/dbraw/zinc/27/34/79/569273479.db2.gz BOUUGEDNWLGTHW-UHFFFAOYSA-N 0 0 421.840 5.926 40 5 HKBBRN Cc1ccc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)ccc3o2)c(C)c1 ZINC000017092821 569273997 /nfs/dbraw/zinc/27/39/97/569273997.db2.gz VHNXVNSKVVUKKZ-UHFFFAOYSA-N 0 0 421.840 5.926 40 5 HKBBRN Cc1cc(C)cc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc3o2)c1 ZINC000017092823 569273549 /nfs/dbraw/zinc/27/35/49/569273549.db2.gz BSCTZVRQITUIBR-UHFFFAOYSA-N 0 0 421.840 5.926 40 5 HKBBRN COc1ccc(C(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)cc1[N+](=O)[O-] ZINC000017092878 569274321 /nfs/dbraw/zinc/27/43/21/569274321.db2.gz KQIXFSYSJDLJIB-UHFFFAOYSA-N 0 0 422.220 5.527 40 5 HKBBRN O=C(COc1ccc([N+](=O)[O-])cc1)OCc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000017092879 569274518 /nfs/dbraw/zinc/27/45/18/569274518.db2.gz XIMSOGHHVQWRNX-UHFFFAOYSA-N 0 0 422.220 5.284 40 5 HKBBRN C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000017093185 569273289 /nfs/dbraw/zinc/27/32/89/569273289.db2.gz FOBIVPNVWDVBHS-GOSISDBHSA-N 0 0 422.529 5.216 40 5 HKBBRN C[C@H]1CCCCN1c1ccc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000017093186 569273757 /nfs/dbraw/zinc/27/37/57/569273757.db2.gz FOBIVPNVWDVBHS-SFHVURJKSA-N 0 0 422.529 5.216 40 5 HKBBRN COc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)cc1[N+](=O)[O-] ZINC000017093289 569273846 /nfs/dbraw/zinc/27/38/46/569273846.db2.gz CGRDZNRWYDNCIM-UHFFFAOYSA-N 0 0 422.828 5.052 40 5 HKBBRN Cc1cc(C(=O)Nc2ccc3oc(-c4cccc5ccccc54)nc3c2)ccc1[N+](=O)[O-] ZINC000017093515 569273771 /nfs/dbraw/zinc/27/37/71/569273771.db2.gz CVODSGKSUGFYIW-UHFFFAOYSA-N 0 0 423.428 6.117 40 5 HKBBRN CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000017093593 569273746 /nfs/dbraw/zinc/27/37/46/569273746.db2.gz RKCXBFJFTZWTQJ-CQSZACIVSA-N 0 0 423.494 5.495 40 5 HKBBRN CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000017093594 569274371 /nfs/dbraw/zinc/27/43/71/569274371.db2.gz RKCXBFJFTZWTQJ-AWEZNQCLSA-N 0 0 423.494 5.495 40 5 HKBBRN Cc1c(C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)cccc1[N+](=O)[O-] ZINC000017093716 569273963 /nfs/dbraw/zinc/27/39/63/569273963.db2.gz OTTBQLBCXGFXTH-UHFFFAOYSA-N 0 0 423.881 6.086 40 5 HKBBRN Cc1cc(C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)ccc1[N+](=O)[O-] ZINC000017093717 569274183 /nfs/dbraw/zinc/27/41/83/569274183.db2.gz QUXARRBMSWENSE-UHFFFAOYSA-N 0 0 423.881 6.086 40 5 HKBBRN Cc1ccc(C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000017093718 569273865 /nfs/dbraw/zinc/27/38/65/569273865.db2.gz QTNZOTOVFQTUAT-UHFFFAOYSA-N 0 0 423.881 6.086 40 5 HKBBRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000017093768 569273476 /nfs/dbraw/zinc/27/34/76/569273476.db2.gz XSIQGYYTBBGYBZ-GORDUTHDSA-N 0 0 424.265 5.172 40 5 HKBBRN COc1c(Cl)cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1Cl ZINC000017093769 569273639 /nfs/dbraw/zinc/27/36/39/569273639.db2.gz IZRVLNATKWPXHG-UHFFFAOYSA-N 0 0 424.265 5.286 40 5 HKBBRN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1sc2cc(Cl)ccc2c1Cl ZINC000017093780 569273480 /nfs/dbraw/zinc/27/34/80/569273480.db2.gz FWBNFNPAKIJZHG-UHFFFAOYSA-N 0 0 424.290 5.978 40 5 HKBBRN O=[N+]([O-])c1ccc(/C(=C/c2ccc(-c3ccccc3)o2)S(=O)(=O)c2ccccc2)o1 ZINC000017106452 569274830 /nfs/dbraw/zinc/27/48/30/569274830.db2.gz KWZOPORMPIBRFR-QNGOZBTKSA-N 0 0 421.430 5.420 40 5 HKBBRN O=C1/C(=C/c2ccc(Cl)cc2)S[C@H]2SC=C(c3ccc([N+](=O)[O-])cc3)N12 ZINC000017223162 569276661 /nfs/dbraw/zinc/27/66/61/569276661.db2.gz CQJDQSFWJMGKQB-YZIPPPLESA-N 0 0 402.884 5.194 40 5 HKBBRN O=[N+]([O-])c1ccc(/C=C\c2cc(-c3ccccc3)nc3ccc4ccccc4c23)cc1 ZINC000017249733 558826268 /nfs/dbraw/zinc/82/62/68/558826268.db2.gz TXOPJXIIAAMQKX-RAXLEYEMSA-N 0 0 402.453 7.134 40 5 HKBBRN Cc1ccc(-c2nc(NC(=O)c3cccs3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000019894513 569433174 /nfs/dbraw/zinc/43/31/74/569433174.db2.gz RGBLDCTZAZCUFI-UHFFFAOYSA-N 0 0 421.503 6.008 40 5 HKBBRN CC[C@@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccc(C)cc1 ZINC000020041684 568586641 /nfs/dbraw/zinc/58/66/41/568586641.db2.gz KWWZLJQQTHXKBV-YVJFHRMNSA-N 0 0 400.478 5.711 40 5 HKBBRN CC[C@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccc(C)cc1 ZINC000020041687 568586716 /nfs/dbraw/zinc/58/67/16/568586716.db2.gz KWWZLJQQTHXKBV-ICBIFTLVSA-N 0 0 400.478 5.711 40 5 HKBBRN CC(C)Oc1ccc(CNC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000020104463 519779215 /nfs/dbraw/zinc/77/92/15/519779215.db2.gz WALIBGSLKWXBBI-LFVJCYFKSA-N 0 0 416.477 5.239 40 5 HKBBRN Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000020140457 525753096 /nfs/dbraw/zinc/75/30/96/525753096.db2.gz KSQQTZPZJHOMKE-UHFFFAOYSA-N 0 0 418.405 5.168 40 5 HKBBRN Cc1cc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1-c1ccc(CO)o1 ZINC000020140474 568590334 /nfs/dbraw/zinc/59/03/34/568590334.db2.gz NVSVDUYKJWVIIO-UHFFFAOYSA-N 0 0 418.405 5.168 40 5 HKBBRN Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000020140528 568590029 /nfs/dbraw/zinc/59/00/29/568590029.db2.gz QVIVIESHTCWDSE-UHFFFAOYSA-N 0 0 418.405 5.168 40 5 HKBBRN Cc1cc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1-c1ccc(CO)o1 ZINC000020140546 525244394 /nfs/dbraw/zinc/24/43/94/525244394.db2.gz UNTCZNXPZAHPTP-UHFFFAOYSA-N 0 0 418.405 5.168 40 5 HKBBRN Cc1ccc(-c2ccc(C(=O)Nc3cccc(-c4ccc(CO)o4)c3)o2)c([N+](=O)[O-])c1 ZINC000020140598 568590074 /nfs/dbraw/zinc/59/00/74/568590074.db2.gz GPLKVTHKLPVSTF-UHFFFAOYSA-N 0 0 418.405 5.168 40 5 HKBBRN Cc1ccc(-c2ccc(C(=O)Nc3ccc(-c4ccc(CO)o4)cc3)o2)c([N+](=O)[O-])c1 ZINC000020140616 525747172 /nfs/dbraw/zinc/74/71/72/525747172.db2.gz OBYIFSFPWKZEHJ-UHFFFAOYSA-N 0 0 418.405 5.168 40 5 HKBBRN O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000020241926 569349617 /nfs/dbraw/zinc/34/96/17/569349617.db2.gz YHKBXJVWNHRQGX-UHFFFAOYSA-N 0 0 410.901 5.968 40 5 HKBBRN Cc1nn(Cc2cccc(Cl)c2Cl)c(C)c1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000020294441 568597480 /nfs/dbraw/zinc/59/74/80/568597480.db2.gz SEBWVLJIVJARSY-UHFFFAOYSA-N 0 0 419.268 5.016 40 5 HKBBRN CC(C)c1ccc(-c2nc3cc(NC(=O)c4ccccc4[N+](=O)[O-])ccc3o2)cc1 ZINC000020411237 568604942 /nfs/dbraw/zinc/60/49/42/568604942.db2.gz JFKYLDMRLVYSQG-UHFFFAOYSA-N 0 0 401.422 5.779 40 5 HKBBRN Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)cc1[N+](=O)[O-] ZINC000020411239 568604751 /nfs/dbraw/zinc/60/47/51/568604751.db2.gz LPVOMVUBIWFWBQ-UHFFFAOYSA-N 0 0 415.449 6.087 40 5 HKBBRN Cc1cc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)ccc1[N+](=O)[O-] ZINC000020411242 568604854 /nfs/dbraw/zinc/60/48/54/568604854.db2.gz XDKFUTVNYFZBJM-UHFFFAOYSA-N 0 0 415.449 6.087 40 5 HKBBRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)Cc3ccccc3[N+](=O)[O-])c2)cc1 ZINC000020451283 519024143 /nfs/dbraw/zinc/02/41/43/519024143.db2.gz VRXSNMSHLXOILL-UHFFFAOYSA-N 0 0 416.477 5.305 40 5 HKBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(OCCSc2ccccc2)cc1 ZINC000020453587 568608799 /nfs/dbraw/zinc/60/87/99/568608799.db2.gz WTDMYDVQHZKPLQ-UHFFFAOYSA-N 0 0 424.478 5.027 40 5 HKBBRN CCOc1ccc([C@@H](C)NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000020459122 568609479 /nfs/dbraw/zinc/60/94/79/568609479.db2.gz XGJRLDCFJZWCKQ-ZDSQJECRSA-N 0 0 416.477 5.412 40 5 HKBBRN CCOc1ccc([C@H](C)NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000020459123 568609524 /nfs/dbraw/zinc/60/95/24/568609524.db2.gz XGJRLDCFJZWCKQ-KHCKMINHSA-N 0 0 416.477 5.412 40 5 HKBBRN Cc1ccc([C@@H](NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000020460824 525770192 /nfs/dbraw/zinc/77/01/92/525770192.db2.gz GGDTZHZEFVJVNH-QHCPKHFHSA-N 0 0 406.507 5.042 40 5 HKBBRN Cc1ccc([C@H](NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000020460825 568609529 /nfs/dbraw/zinc/60/95/29/568609529.db2.gz GGDTZHZEFVJVNH-HSZRJFAPSA-N 0 0 406.507 5.042 40 5 HKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000020488653 568613403 /nfs/dbraw/zinc/61/34/03/568613403.db2.gz AWTPXUOAQVOYNI-UHFFFAOYSA-N 0 0 401.466 5.108 40 5 HKBBRN Cc1ccccc1[C@@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000020492742 568613389 /nfs/dbraw/zinc/61/33/89/568613389.db2.gz JBCFZZRBOJIUPI-QHCPKHFHSA-N 0 0 406.507 5.042 40 5 HKBBRN Cc1ccccc1[C@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000020492743 568613746 /nfs/dbraw/zinc/61/37/46/568613746.db2.gz JBCFZZRBOJIUPI-HSZRJFAPSA-N 0 0 406.507 5.042 40 5 HKBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000020493477 527129819 /nfs/dbraw/zinc/12/98/19/527129819.db2.gz BSJQAFOFMRMTSL-UHFFFAOYSA-N 0 0 421.884 5.453 40 5 HKBBRN Cc1c(NC(=O)c2ccc(OCCSc3ccccc3)cc2)cccc1[N+](=O)[O-] ZINC000020493717 568613853 /nfs/dbraw/zinc/61/38/53/568613853.db2.gz BXOVBYYRDHGSFG-UHFFFAOYSA-N 0 0 408.479 5.327 40 5 HKBBRN Cc1c(C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cccc1[N+](=O)[O-] ZINC000020495765 568613662 /nfs/dbraw/zinc/61/36/62/568613662.db2.gz MQDLMBIESXTXHZ-UHFFFAOYSA-N 0 0 416.477 5.684 40 5 HKBBRN O=[N+]([O-])c1ccc(/C=C/c2nc3ccccc3nc2/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000020512632 568619850 /nfs/dbraw/zinc/61/98/50/568619850.db2.gz SUBCNCJAZXHXFC-KAVGSWPWSA-N 0 0 424.416 5.787 40 5 HKBBRN O=C(CCCCCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccccc1 ZINC000020523233 568625502 /nfs/dbraw/zinc/62/55/02/568625502.db2.gz WEEIENMNCQGVEQ-UHFFFAOYSA-N 0 0 409.408 5.615 40 5 HKBBRN O=[N+]([O-])c1ccc(N2N=C(c3ccc(-c4ccccc4)cc3)C[C@@H]2c2ccccc2)cc1 ZINC000020530402 568625847 /nfs/dbraw/zinc/62/58/47/568625847.db2.gz CDFUPPJTINWETE-HHHXNRCGSA-N 0 0 419.484 6.618 40 5 HKBBRN O=[N+]([O-])c1ccc(N2N=C(c3ccc(-c4ccccc4)cc3)C[C@H]2c2ccccc2)cc1 ZINC000020530404 527364103 /nfs/dbraw/zinc/36/41/03/527364103.db2.gz CDFUPPJTINWETE-MHZLTWQESA-N 0 0 419.484 6.618 40 5 HKBBRN O=C(c1cc([N+](=O)[O-])cc2c1C=Cc1c(ccc3ccccc31)O2)N1CCCCC1 ZINC000020533959 526629037 /nfs/dbraw/zinc/62/90/37/526629037.db2.gz YEWDROTWAYKDMO-UHFFFAOYSA-N 0 0 400.434 5.650 40 5 HKBBRN Cc1c(C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)cccc1[N+](=O)[O-] ZINC000020610545 568636463 /nfs/dbraw/zinc/63/64/63/568636463.db2.gz QXVCLSXKRJZALZ-UHFFFAOYSA-N 0 0 415.453 5.013 40 5 HKBBRN Cc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)cc1[N+](=O)[O-] ZINC000020610547 568636259 /nfs/dbraw/zinc/63/62/59/568636259.db2.gz RNLQHKRZAVIRSE-UHFFFAOYSA-N 0 0 415.453 5.013 40 5 HKBBRN Cc1cc(C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)ccc1[N+](=O)[O-] ZINC000020610557 568636315 /nfs/dbraw/zinc/63/63/15/568636315.db2.gz GYSLHIXKXNFBSX-UHFFFAOYSA-N 0 0 415.453 5.013 40 5 HKBBRN O=[N+]([O-])c1cccc(-c2cn3nc(SCc4ccccc4Cl)sc3n2)c1 ZINC000021085514 568661313 /nfs/dbraw/zinc/66/13/13/568661313.db2.gz XIGJZCCSCSOVPK-UHFFFAOYSA-N 0 0 402.888 5.312 40 5 HKBBRN CC(C)OC(=O)c1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000021124070 568669978 /nfs/dbraw/zinc/66/99/78/568669978.db2.gz DJMQALXKXLCSPF-WYMLVPIESA-N 0 0 420.421 5.072 40 5 HKBBRN CC(C)OC(=O)c1ccc(NC(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)cc1 ZINC000021124795 568669812 /nfs/dbraw/zinc/66/98/12/568669812.db2.gz JYPRJTAKAUEPIP-UHFFFAOYSA-N 0 0 418.858 5.280 40 5 HKBBRN O=C(CSCc1c(Cl)cccc1Cl)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000021125547 568669827 /nfs/dbraw/zinc/66/98/27/568669827.db2.gz QKJUHBVDISZVGF-UHFFFAOYSA-N 0 0 405.690 5.427 40 5 HKBBRN Cc1ccc(-c2ccc(C(=O)Nc3ccc(N4CCCCC4)c(F)c3)o2)c([N+](=O)[O-])c1 ZINC000021576329 568719067 /nfs/dbraw/zinc/71/90/67/568719067.db2.gz GPCRFDLMPHOSHU-UHFFFAOYSA-N 0 0 423.444 5.545 40 5 HKBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(N2CCCCC2)c(F)c1 ZINC000021577908 568718907 /nfs/dbraw/zinc/71/89/07/568718907.db2.gz PFQARXOEECQLSA-WEVVVXLNSA-N 0 0 403.841 5.030 40 5 HKBBRN Cc1cc2nc(-c3ccc(C)c(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)c3)oc2cc1C ZINC000021578626 568719933 /nfs/dbraw/zinc/71/99/33/568719933.db2.gz DTCXRVHAMNIZNX-UHFFFAOYSA-N 0 0 415.449 5.889 40 5 HKBBRN Cc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000021578634 568466979 /nfs/dbraw/zinc/46/69/79/568466979.db2.gz GLRLGIFRKVLWME-UHFFFAOYSA-N 0 0 415.449 5.889 40 5 HKBBRN COc1cccc(-c2nc3cc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)ccc3o2)c1 ZINC000021579196 568719973 /nfs/dbraw/zinc/71/99/73/568719973.db2.gz VIBNNFUOXUHPHH-UHFFFAOYSA-N 0 0 423.812 5.317 40 5 HKBBRN COc1cccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc3o2)c1 ZINC000021579200 568720017 /nfs/dbraw/zinc/72/00/17/568720017.db2.gz VPVRXJWBFHQZRO-UHFFFAOYSA-N 0 0 423.812 5.317 40 5 HKBBRN COc1cccc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)ccc3o2)c1 ZINC000021579207 568720020 /nfs/dbraw/zinc/72/00/20/568720020.db2.gz ZUDRZNYTYPCBFT-UHFFFAOYSA-N 0 0 423.812 5.317 40 5 HKBBRN COc1cccc(-c2nc3cc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)ccc3o2)c1 ZINC000021579295 568720005 /nfs/dbraw/zinc/72/00/05/568720005.db2.gz CXQGVZIHZZSFOP-DHZHZOJOSA-N 0 0 415.405 5.064 40 5 HKBBRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000021580485 568719978 /nfs/dbraw/zinc/71/99/78/568719978.db2.gz JSXFAOLMGWQMGT-UHFFFAOYSA-N 0 0 422.828 5.052 40 5 HKBBRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000021580493 568719920 /nfs/dbraw/zinc/71/99/20/568719920.db2.gz BTQDBJRQFDZKQM-UHFFFAOYSA-N 0 0 422.828 5.052 40 5 HKBBRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000021580502 568719883 /nfs/dbraw/zinc/71/98/83/568719883.db2.gz KFKFFZIEOKYWNV-UHFFFAOYSA-N 0 0 422.828 5.052 40 5 HKBBRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000021580506 568720028 /nfs/dbraw/zinc/72/00/28/568720028.db2.gz YCGIRUJOIUGPNS-UHFFFAOYSA-N 0 0 422.828 5.052 40 5 HKBBRN O=C(Nc1nc2c(cccc2Cl)s1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000021595667 568722402 /nfs/dbraw/zinc/72/24/02/568722402.db2.gz SPHPZFNJXAYCDG-UHFFFAOYSA-N 0 0 424.290 5.978 40 5 HKBBRN CC1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2[N+](=O)[O-])CC1 ZINC000021595849 568467688 /nfs/dbraw/zinc/46/76/88/568467688.db2.gz AOJPICUMPWCGAX-UHFFFAOYSA-N 0 0 408.285 5.390 40 5 HKBBRN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000021595955 568722412 /nfs/dbraw/zinc/72/24/12/568722412.db2.gz YSLAZNGPWUASKR-JXMROGBWSA-N 0 0 413.773 5.068 40 5 HKBBRN CC1CCN(c2ccc(C(=O)Nc3cc(Cl)ccc3Cl)cc2[N+](=O)[O-])CC1 ZINC000021595989 568467819 /nfs/dbraw/zinc/46/78/19/568467819.db2.gz VHQMZOGZTJZURW-UHFFFAOYSA-N 0 0 408.285 5.390 40 5 HKBBRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000021596049 568467822 /nfs/dbraw/zinc/46/78/22/568467822.db2.gz IPVMPQXFGDBRPS-UHFFFAOYSA-N 0 0 412.210 5.277 40 5 HKBBRN CC(C)(C)[C@@H]1CCc2nc3sc(C(=O)Nc4ccccc4[N+](=O)[O-])c(N)c3cc2C1 ZINC000022078708 568764772 /nfs/dbraw/zinc/76/47/72/568764772.db2.gz AEJAPUWZSBZQFE-CYBMUJFWSA-N 0 0 424.526 5.190 40 5 HKBBRN CC(C)(C)[C@H]1CCc2nc3sc(C(=O)Nc4ccccc4[N+](=O)[O-])c(N)c3cc2C1 ZINC000022078712 568764751 /nfs/dbraw/zinc/76/47/51/568764751.db2.gz AEJAPUWZSBZQFE-ZDUSSCGKSA-N 0 0 424.526 5.190 40 5 HKBBRN COc1ccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)c([N+](=O)[O-])c1 ZINC000022258055 568765984 /nfs/dbraw/zinc/76/59/84/568765984.db2.gz TWVXDEQTACKDFA-UHFFFAOYSA-N 0 0 412.829 5.088 40 5 HKBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(OCc2ccccc2Cl)c1 ZINC000022258320 568765950 /nfs/dbraw/zinc/76/59/50/568765950.db2.gz KXMSVWCKPZVSDD-UHFFFAOYSA-N 0 0 412.829 5.088 40 5 HKBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)c1cccc(OCc2ccccc2Cl)c1 ZINC000022258395 568765993 /nfs/dbraw/zinc/76/59/93/568765993.db2.gz GVJIVXKHVWQWPL-UHFFFAOYSA-N 0 0 412.829 5.088 40 5 HKBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cccc(OCc2ccccc2Cl)c1 ZINC000022258414 568765954 /nfs/dbraw/zinc/76/59/54/568765954.db2.gz WMWFQJZINRMJHO-UHFFFAOYSA-N 0 0 417.248 5.733 40 5 HKBBRN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(OCc2ccccc2Cl)c1 ZINC000022258418 568765917 /nfs/dbraw/zinc/76/59/17/568765917.db2.gz IOFMSFXRGPDEBL-UHFFFAOYSA-N 0 0 417.248 5.733 40 5 HKBBRN Cc1cc(C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)ccc1[N+](=O)[O-] ZINC000022514572 568769114 /nfs/dbraw/zinc/76/91/14/568769114.db2.gz ANYBRUHCAJEXNV-UHFFFAOYSA-N 0 0 416.477 5.684 40 5 HKBBRN CC[C@@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccc(OC)cc1 ZINC000022527511 568769614 /nfs/dbraw/zinc/76/96/14/568769614.db2.gz FZCPFAYJVXYZNS-YVJFHRMNSA-N 0 0 416.477 5.412 40 5 HKBBRN CC[C@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccc(OC)cc1 ZINC000022527515 568769595 /nfs/dbraw/zinc/76/95/95/568769595.db2.gz FZCPFAYJVXYZNS-ICBIFTLVSA-N 0 0 416.477 5.412 40 5 HKBBRN CCSc1ccccc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000022532197 568769626 /nfs/dbraw/zinc/76/96/26/568769626.db2.gz NSOLMSOVCXPFPU-CAPFRKAQSA-N 0 0 404.491 5.886 40 5 HKBBRN O=[N+]([O-])c1cccc(Cl)c1Oc1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000024522657 560843501 /nfs/dbraw/zinc/84/35/01/560843501.db2.gz FHWLOTSQKGFNQG-UHFFFAOYSA-N 0 0 406.290 6.986 40 5 HKBBRN O=[N+]([O-])c1cccc(/C=C/c2nc3ccccc3nc2OCc2cccc(Cl)c2)c1 ZINC000024522687 560843517 /nfs/dbraw/zinc/84/35/17/560843517.db2.gz DYRXOTNSQNTBAO-VAWYXSNFSA-N 0 0 417.852 5.941 40 5 HKBBRN CCCc1cc(-c2nc(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cs2)ccn1 ZINC000024522889 560843456 /nfs/dbraw/zinc/84/34/56/560843456.db2.gz MIXFSIQRYSFJFS-UHFFFAOYSA-N 0 0 417.490 6.525 40 5 HKBBRN O=[N+]([O-])c1ccc(-c2csc(=NCc3ccccc3)n2Cc2ccccc2)cc1 ZINC000026570064 569039221 /nfs/dbraw/zinc/03/92/21/569039221.db2.gz NTSIICWSUCLSHE-UHFFFAOYSA-O 0 0 402.499 5.271 40 5 HKBBRN O=C(c1c(-c2cccc([N+](=O)[O-])c2)cc2ccccn21)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000026779895 568831392 /nfs/dbraw/zinc/83/13/92/568831392.db2.gz QAZXFVIZKCTBBX-UHFFFAOYSA-N 0 0 421.796 5.307 40 5 HKBBRN CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000027638869 569385457 /nfs/dbraw/zinc/38/54/57/569385457.db2.gz PBMVYDNBOIVHBO-DOFZRALJSA-N 0 0 424.585 7.679 40 5 in-vitro HKBBRN CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000027644429 569385688 /nfs/dbraw/zinc/38/56/88/569385688.db2.gz OITDPRAMDXERDT-DOFZRALJSA-N 0 0 424.585 7.679 40 5 in-vitro HKBBRN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2Cc2nc(-c3ccccc3)no2)cc1 ZINC000027987060 568987297 /nfs/dbraw/zinc/98/72/97/568987297.db2.gz OOYLHWIDZURWLB-UHFFFAOYSA-N 0 0 423.432 5.088 40 5 HKBBRN O=[N+]([O-])c1c(-c2ccccc2)c2cc(Br)ccc2nc1N1CCCCC1 ZINC000028048377 132492360 /nfs/dbraw/zinc/49/23/60/132492360.db2.gz HYVZTPWPIBNNOQ-UHFFFAOYSA-N 0 0 412.287 5.563 40 5 HKBBRN CCOC(=O)c1c(-c2cccc([N+](=O)[O-])c2)csc1NC(=O)c1cccc(C)c1 ZINC000028284351 568783880 /nfs/dbraw/zinc/78/38/80/568783880.db2.gz GTURQLNJPBGPPE-UHFFFAOYSA-N 0 0 410.451 5.061 40 5 HKBBRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000028355685 568784547 /nfs/dbraw/zinc/78/45/47/568784547.db2.gz CAFMLKLSMDKPAE-UHFFFAOYSA-N 0 0 411.628 6.067 40 5 HKBBRN COc1ccc(NC(=O)C23C[C@@H]4C[C@H](C2)CC(c2ccc([N+](=O)[O-])cc2)(C4)C3)cc1 ZINC000028467219 568785146 /nfs/dbraw/zinc/78/51/46/568785146.db2.gz ZOOGGENQNHGWDJ-UPFYTXMWSA-N 0 0 406.482 5.080 40 5 HKBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 ZINC000029508310 568827129 /nfs/dbraw/zinc/82/71/29/568827129.db2.gz JWFQVMOQPNUULP-UHFFFAOYSA-N 0 0 403.369 5.308 40 5 HKBBRN Cc1ccc(-n2c(SCc3cccc([N+](=O)[O-])c3)nnc2-c2ccncc2)cc1C ZINC000029812594 568661868 /nfs/dbraw/zinc/66/18/68/568661868.db2.gz FYBQVMHAKSDQGL-UHFFFAOYSA-N 0 0 417.494 5.147 40 5 HKBBRN CN(Cc1ccc(Cl)cc1)C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000030751297 568886926 /nfs/dbraw/zinc/88/69/26/568886926.db2.gz LRESYBLZUWFJBS-PXLXIMEGSA-N 0 0 406.869 5.447 40 5 HKBBRN CC(C)C[C@@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccccc1 ZINC000030856594 568896231 /nfs/dbraw/zinc/89/62/31/568896231.db2.gz WNNYFYQBRGECIX-GBOLQPHISA-N 0 0 414.505 6.039 40 5 HKBBRN CC(C)C[C@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccccc1 ZINC000030856599 568896227 /nfs/dbraw/zinc/89/62/27/568896227.db2.gz WNNYFYQBRGECIX-GRBCXPRBSA-N 0 0 414.505 6.039 40 5 HKBBRN CC[C@@H](CO)Nc1nc2cc(Br)ccc2c2ccc(Br)cc21 ZINC000031719660 558752155 /nfs/dbraw/zinc/75/21/55/558752155.db2.gz OMXCYYDRTRHWFZ-LBPRGKRZSA-N 0 0 424.136 5.096 40 5 HKBBRN COc1ccc(-c2nc3cc(NC(=O)c4cccc([N+](=O)[O-])c4)ccc3o2)cc1Cl ZINC000032109306 523229131 /nfs/dbraw/zinc/22/91/31/523229131.db2.gz YDIQGBLJVVJFMR-UHFFFAOYSA-N 0 0 423.812 5.317 40 5 HKBBRN CC(C)N1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O ZINC000032115713 519667742 /nfs/dbraw/zinc/66/77/42/519667742.db2.gz YFAWTJPMIMLTGZ-JAIQZWGSSA-N 0 0 421.478 5.043 40 5 HKBBRN Cc1ccc2oc(-c3ccc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)c(Cl)c3)nc2c1 ZINC000032116347 524086092 /nfs/dbraw/zinc/08/60/92/524086092.db2.gz IMCQBCONDPSQGS-UHFFFAOYSA-N 0 0 421.840 5.926 40 5 HKBBRN Cc1ccc(-c2nc3cc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)ccc3o2)cc1C ZINC000032116429 525825425 /nfs/dbraw/zinc/82/54/25/525825425.db2.gz CNLVRGWJRXLWEI-UHFFFAOYSA-N 0 0 421.840 5.926 40 5 HKBBRN Cc1ccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc3o2)cc1C ZINC000032116652 525822703 /nfs/dbraw/zinc/82/27/03/525822703.db2.gz FTRMTVFVXIEEDF-UHFFFAOYSA-N 0 0 421.840 5.926 40 5 HKBBRN Cc1ccc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)ccc3o2)cc1C ZINC000032116707 525824667 /nfs/dbraw/zinc/82/46/67/525824667.db2.gz HBIOKECBSRWYIW-UHFFFAOYSA-N 0 0 421.840 5.926 40 5 HKBBRN CCCCc1ccc2nc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)sc2c1 ZINC000032118763 521288197 /nfs/dbraw/zinc/28/81/97/521288197.db2.gz CZHWOQXSHOAYTB-JXMROGBWSA-N 0 0 415.902 5.852 40 5 HKBBRN CCCCc1ccc2nc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)sc2c1 ZINC000032119042 521288962 /nfs/dbraw/zinc/28/89/62/521288962.db2.gz YCPJNSKECPWGQY-UHFFFAOYSA-N 0 0 421.478 6.059 40 5 HKBBRN Cc1cc(C(=O)Nc2cccc(-c3nc4c(ccc5ccccc45)o3)c2)ccc1[N+](=O)[O-] ZINC000032126219 524172258 /nfs/dbraw/zinc/17/22/58/524172258.db2.gz ALSZTGPWWYIEAW-UHFFFAOYSA-N 0 0 423.428 6.117 40 5 HKBBRN O=C(Nc1nc2c(ccc(Cl)c2Cl)s1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000032126531 527510290 /nfs/dbraw/zinc/51/02/90/527510290.db2.gz QGHKUPLPSDYKMZ-UHFFFAOYSA-N 0 0 402.646 5.417 40 5 HKBBRN Cc1c(C(=O)Nc2cccc(-c3nc4c(ccc5ccccc45)o3)c2)cccc1[N+](=O)[O-] ZINC000032126907 525658914 /nfs/dbraw/zinc/65/89/14/525658914.db2.gz UWBNHYWSLLTTJL-UHFFFAOYSA-N 0 0 423.428 6.117 40 5 HKBBRN COc1cc2sc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)nc2cc1Cl ZINC000032126968 523074072 /nfs/dbraw/zinc/07/40/72/523074072.db2.gz MJKUDZRORBMCJB-HWKANZROSA-N 0 0 424.265 5.172 40 5 HKBBRN CCOc1ccc(C(=O)Nc2nc3c(ccc(Cl)c3Cl)s2)cc1[N+](=O)[O-] ZINC000032127577 520920655 /nfs/dbraw/zinc/92/06/55/520920655.db2.gz DUBKRGFGKDINRQ-UHFFFAOYSA-N 0 0 412.254 5.162 40 5 HKBBRN Cc1ccc(C(=O)Nc2cccc(-c3nc4c(ccc5ccccc45)o3)c2)cc1[N+](=O)[O-] ZINC000032127990 526224273 /nfs/dbraw/zinc/22/42/73/526224273.db2.gz OUSOJBAQKZWSLC-UHFFFAOYSA-N 0 0 423.428 6.117 40 5 HKBBRN O=C(/C=C\c1cccc([N+](=O)[O-])c1)Nc1cccc(-c2nc3ccccc3s2)c1 ZINC000032204012 527656639 /nfs/dbraw/zinc/65/66/39/527656639.db2.gz YJWNZUFIFLDDRP-QXMHVHEDSA-N 0 0 401.447 5.523 40 5 HKBBRN Cc1ccc(C)c(NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2)c2cccc3ccccc32)c1 ZINC000033367128 559068913 /nfs/dbraw/zinc/06/89/13/559068913.db2.gz DUVNAQQVNWFZQC-UQQQWYQISA-N 0 0 422.484 6.544 40 5 HKBBRN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000033405650 568697135 /nfs/dbraw/zinc/69/71/35/568697135.db2.gz VVQJSZSKBGAFAB-UHFFFAOYSA-N 0 0 415.232 5.385 40 5 HKBBRN COc1ccc(/C=C/c2nc3ccccc3nc2OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000033561551 559212647 /nfs/dbraw/zinc/21/26/47/559212647.db2.gz XXHMTYAQSBYADJ-SDNWHVSQSA-N 0 0 413.433 5.296 40 5 HKBBRN O=C(Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000033584725 569350618 /nfs/dbraw/zinc/35/06/18/569350618.db2.gz LNTFZTYYBXRFOF-UHFFFAOYSA-N 0 0 420.808 5.274 40 5 HKBBRN Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3c(C)c(C)ccc3[N+](=O)[O-])o2)cc1C ZINC000033630988 569350767 /nfs/dbraw/zinc/35/07/67/569350767.db2.gz VYLKEHYMDSPYKK-UHFFFAOYSA-N 0 0 423.494 5.215 40 5 HKBBRN Cc1cc(Br)ccc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000033635073 568697814 /nfs/dbraw/zinc/69/78/14/568697814.db2.gz TZIRPIOZTCVHFO-UHFFFAOYSA-N 0 0 401.216 5.178 40 5 HKBBRN CCOc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(C)cc1 ZINC000033651943 568698004 /nfs/dbraw/zinc/69/80/04/568698004.db2.gz ZCQDPOMHXXFANY-UHFFFAOYSA-N 0 0 406.438 5.133 40 5 HKBBRN CC(C)c1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000033654166 569350840 /nfs/dbraw/zinc/35/08/40/569350840.db2.gz GTJGUOXJQBTZJZ-UHFFFAOYSA-N 0 0 409.467 5.105 40 5 HKBBRN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1sc2cc(Cl)ccc2c1Cl ZINC000033658292 569350898 /nfs/dbraw/zinc/35/08/98/569350898.db2.gz BPGRYFKXQDMYGU-UHFFFAOYSA-N 0 0 401.658 6.022 40 5 HKBBRN O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000033663823 569350952 /nfs/dbraw/zinc/35/09/52/569350952.db2.gz GJVAEYMQJZIWSS-UHFFFAOYSA-N 0 0 410.735 5.779 40 5 HKBBRN CC(C)(C)CC(C)(C)NC(=O)Nc1ccc2sc3nc4ccccc4nc3c2c1 ZINC000033665034 569350938 /nfs/dbraw/zinc/35/09/38/569350938.db2.gz HRLVLWJTEPZLDP-UHFFFAOYSA-N 0 0 406.555 6.334 40 5 HKBBRN Cc1ccc(NC(=O)c2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1 ZINC000033701587 569351061 /nfs/dbraw/zinc/35/10/61/569351061.db2.gz QLILIWLXPJNKOE-UHFFFAOYSA-N 0 0 415.456 5.440 40 5 HKBBRN COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 ZINC000033704413 569351097 /nfs/dbraw/zinc/35/10/97/569351097.db2.gz FJFSAIRGRDWPHC-POHAHGRESA-N 0 0 400.818 5.303 40 5 HKBBRN O=[N+]([O-])c1cccc(CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)c1 ZINC000033720105 569351167 /nfs/dbraw/zinc/35/11/67/569351167.db2.gz FRBLZJMWAYXHRI-UHFFFAOYSA-N 0 0 422.897 5.788 40 5 HKBBRN CC(C)c1ccccc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000033729656 569351162 /nfs/dbraw/zinc/35/11/62/569351162.db2.gz MIVUXAIMSMBFHK-UHFFFAOYSA-N 0 0 409.467 5.105 40 5 HKBBRN O=C(Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)N1CCCCCC1 ZINC000033730558 569351172 /nfs/dbraw/zinc/35/11/72/569351172.db2.gz ROTUVICHKDXRTL-UHFFFAOYSA-N 0 0 422.492 5.287 40 5 HKBBRN Cc1ccc(NC(=S)Nc2ccc3sc4nc5ccccc5nc4c3c2)cc1C ZINC000033730745 569351139 /nfs/dbraw/zinc/35/11/39/569351139.db2.gz UNXJIDADHKNZGT-UHFFFAOYSA-N 0 0 414.559 6.423 40 5 HKBBRN Cc1noc(/C=C\c2ccccc2OCc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] ZINC000033734078 569351226 /nfs/dbraw/zinc/35/12/26/569351226.db2.gz KHDDQNVUONBSPU-CLFYSBASSA-N 0 0 405.237 5.947 40 5 HKBBRN CC(C)N(C(=O)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)C(C)C ZINC000033745200 569351269 /nfs/dbraw/zinc/35/12/69/569351269.db2.gz GIXAHYZLAZRGCE-UHFFFAOYSA-N 0 0 424.508 5.530 40 5 HKBBRN Cc1ccc(Nc2nc(-c3ccccc3OCc3ccc([N+](=O)[O-])cc3)cs2)cc1 ZINC000033762403 569351299 /nfs/dbraw/zinc/35/12/99/569351299.db2.gz RCNGENSZHXAFIV-UHFFFAOYSA-N 0 0 417.490 6.349 40 5 HKBBRN S=C(Nc1cccc(Br)c1)Nc1cc2cccnc2c2cccnc12 ZINC000033774022 569351354 /nfs/dbraw/zinc/35/13/54/569351354.db2.gz FTSSHEFPHWYJPF-UHFFFAOYSA-N 0 0 409.312 5.354 40 5 HKBBRN COc1cccc(NC(=S)Nc2ccc3sc4nc5ccccc5nc4c3c2)c1 ZINC000033774675 569351303 /nfs/dbraw/zinc/35/13/03/569351303.db2.gz SJTUCXSPMTYFFQ-UHFFFAOYSA-N 0 0 416.531 5.815 40 5 HKBBRN O=C(Nc1ccccc1)c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 ZINC000033780490 568698505 /nfs/dbraw/zinc/69/85/05/568698505.db2.gz PBCWBMBTXHDLDZ-UHFFFAOYSA-N 0 0 401.429 5.132 40 5 HKBBRN Cc1ccc(C(C)C)c(OCc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2C)c1 ZINC000033803824 569351371 /nfs/dbraw/zinc/35/13/71/569351371.db2.gz QVYOUIXAXLWJSC-UHFFFAOYSA-N 0 0 412.515 5.026 40 5 HKBBRN O=C(Nc1ccc(F)cc1)c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 ZINC000033851546 569351450 /nfs/dbraw/zinc/35/14/50/569351450.db2.gz VPSQQIZTHPHNKL-UHFFFAOYSA-N 0 0 419.419 5.271 40 5 HKBBRN CN(C)c1ccc(NC(=O)Nc2ccc3sc4nc5ccccc5nc4c3c2)cc1 ZINC000033870396 569351453 /nfs/dbraw/zinc/35/14/53/569351453.db2.gz SZXPOCBIGJEPMI-UHFFFAOYSA-N 0 0 413.506 5.708 40 5 HKBBRN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000034706052 568455309 /nfs/dbraw/zinc/45/53/09/568455309.db2.gz SBQUNFBDKDFIFO-UHFFFAOYSA-N 0 0 410.735 5.779 40 5 HKBBRN CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 ZINC000034837452 557018425 /nfs/dbraw/zinc/01/84/25/557018425.db2.gz GQCPAPBVHJBGCA-XFFZJAGNSA-N 0 0 414.845 5.693 40 5 HKBBRN COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OCc1cccc2ccccc21 ZINC000034849471 569351614 /nfs/dbraw/zinc/35/16/14/569351614.db2.gz BARXZKKEDZRRHM-QBFSEMIESA-N 0 0 416.433 5.802 40 5 HKBBRN O=C(NC(=S)Nc1cccc2ccccc21)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000034895491 569351567 /nfs/dbraw/zinc/35/15/67/569351567.db2.gz VCYANEDJPPQIOO-UHFFFAOYSA-N 0 0 417.446 5.135 40 5 HKBBRN O=C(Nc1cc(Cl)ccc1Cl)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000034967737 557109171 /nfs/dbraw/zinc/10/91/71/557109171.db2.gz DRDPCXVZWWBUHC-UHFFFAOYSA-N 0 0 411.628 6.067 40 5 HKBBRN O=C(Nc1ccc(Cl)cc1Cl)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000034967738 568834741 /nfs/dbraw/zinc/83/47/41/568834741.db2.gz YDSHYPTWDZBZIE-UHFFFAOYSA-N 0 0 411.628 6.067 40 5 HKBBRN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000034967742 568834773 /nfs/dbraw/zinc/83/47/73/568834773.db2.gz VBIIJXBGYGDOFV-UHFFFAOYSA-N 0 0 410.735 5.779 40 5 HKBBRN O=C(Nc1cccc(Br)c1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000034967994 568834774 /nfs/dbraw/zinc/83/47/74/568834774.db2.gz NJBZGZAVTIIWHQ-UHFFFAOYSA-N 0 0 421.634 5.523 40 5 HKBBRN O=[N+]([O-])c1cccc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)c1 ZINC000035167837 557498513 /nfs/dbraw/zinc/49/85/13/557498513.db2.gz YVWHTRWFNZNRBB-UHFFFAOYSA-N 0 0 422.897 5.788 40 5 HKBBRN COc1ccc(C(=O)CSc2ncnc3c4cc5ccccc5nc4sc32)cc1 ZINC000035313198 557688916 /nfs/dbraw/zinc/68/89/16/557688916.db2.gz OEQAZXDDWPJAKO-UHFFFAOYSA-N 0 0 417.515 5.376 40 5 HKBBRN O=C(CSc1ncnc2c3cc4ccccc4nc3sc21)Nc1ccc(F)cc1 ZINC000035313215 557688898 /nfs/dbraw/zinc/68/88/98/557688898.db2.gz DCYBQOBVZWTSAZ-UHFFFAOYSA-N 0 0 420.494 5.263 40 5 HKBBRN O=C(CSc1ncnc2c3cc4ccccc4nc3sc21)Nc1ccccc1F ZINC000035313355 558789788 /nfs/dbraw/zinc/78/97/88/558789788.db2.gz BJGBKEPTUQIEBV-UHFFFAOYSA-N 0 0 420.494 5.263 40 5 HKBBRN Cc1ccc2cc3c(nc2c1)sc1c3ncnc1SCC(=O)NC1CCCCC1 ZINC000035313595 557689439 /nfs/dbraw/zinc/68/94/39/557689439.db2.gz GIQOZBYJGWIPCH-UHFFFAOYSA-N 0 0 422.579 5.242 40 5 HKBBRN O=C(Nc1ccc2sc3nc4ccccc4nc3c2c1)N1CC[C@@H](c2ccccc2)C1 ZINC000035326936 557692479 /nfs/dbraw/zinc/69/24/79/557692479.db2.gz FWUVPEPIVKRLKW-QGZVFWFLSA-N 0 0 424.529 6.019 40 5 HKBBRN O=C(Nc1ccc2sc3nc4ccccc4nc3c2c1)N1CC[C@H](c2ccccc2)C1 ZINC000035326940 557692426 /nfs/dbraw/zinc/69/24/26/557692426.db2.gz FWUVPEPIVKRLKW-KRWDZBQOSA-N 0 0 424.529 6.019 40 5 HKBBRN CC(C)(C)c1ccc(-c2csc3nc4c5ccccc5c(Cl)nn4c(=O)c23)cc1 ZINC000035569161 558793602 /nfs/dbraw/zinc/79/36/02/558793602.db2.gz IXFYHXRBUFEEAK-UHFFFAOYSA-N 0 0 419.937 6.075 40 5 HKBBRN O=[N+]([O-])c1cccc(/C=C\c2nc3ccccc3nc2Oc2ccc(Cl)cc2)c1 ZINC000036092282 569089389 /nfs/dbraw/zinc/08/93/89/569089389.db2.gz WXAHPDXPKXZNPK-JYRVWZFOSA-N 0 0 403.825 6.154 40 5 HKBBRN O=[N+]([O-])c1ccc(S[C@@H]2CSc3nc4ccccc4n3[C@@H]2c2ccccc2)cc1 ZINC000036625082 569211143 /nfs/dbraw/zinc/21/11/43/569211143.db2.gz DQXXGBIMTPVJJO-NHCUHLMSSA-N 0 0 419.531 5.801 40 5 HKBBRN O=[N+]([O-])c1ccc(S[C@@H]2CSc3nc4ccccc4n3[C@H]2c2ccccc2)cc1 ZINC000036625083 569211205 /nfs/dbraw/zinc/21/12/05/569211205.db2.gz DQXXGBIMTPVJJO-RTWAWAEBSA-N 0 0 419.531 5.801 40 5 HKBBRN O=[N+]([O-])c1ccc(S[C@H]2CSc3nc4ccccc4n3[C@@H]2c2ccccc2)cc1 ZINC000036625084 569211138 /nfs/dbraw/zinc/21/11/38/569211138.db2.gz DQXXGBIMTPVJJO-LEWJYISDSA-N 0 0 419.531 5.801 40 5 HKBBRN O=[N+]([O-])c1ccc(S[C@H]2CSc3nc4ccccc4n3[C@H]2c2ccccc2)cc1 ZINC000036625085 569211153 /nfs/dbraw/zinc/21/11/53/569211153.db2.gz DQXXGBIMTPVJJO-SFTDATJTSA-N 0 0 419.531 5.801 40 5 HKBBRN S=C(Oc1ccc2nc3[nH]c4ccccc4c3nc2c1)N1CC[C@@H](c2ccccc2)C1 ZINC000038201842 571048765 /nfs/dbraw/zinc/04/87/65/571048765.db2.gz LVCUKVDQGLESHQ-QGZVFWFLSA-N 0 0 424.529 5.418 40 5 HKBBRN S=C(Oc1ccc2nc3[nH]c4ccccc4c3nc2c1)N1CC[C@H](c2ccccc2)C1 ZINC000038201843 571048779 /nfs/dbraw/zinc/04/87/79/571048779.db2.gz LVCUKVDQGLESHQ-KRWDZBQOSA-N 0 0 424.529 5.418 40 5 HKBBRN S=C(Nc1ccc2[nH]c3nc4ccccc4nc3c2c1)Nc1cccc2ccccc21 ZINC000038206438 571048782 /nfs/dbraw/zinc/04/87/82/571048782.db2.gz VVQKBEMKAVJFEY-UHFFFAOYSA-N 0 0 419.513 6.226 40 5 HKBBRN S=C(Nc1ccc2[nH]c3nc4ccccc4nc3c2c1)N1CC[C@@H](c2ccccc2)C1 ZINC000038207604 571048774 /nfs/dbraw/zinc/04/87/74/571048774.db2.gz XFNFCWNTPAFZFN-QGZVFWFLSA-N 0 0 423.545 5.451 40 5 HKBBRN S=C(Nc1ccc2[nH]c3nc4ccccc4nc3c2c1)N1CC[C@H](c2ccccc2)C1 ZINC000038207606 571048786 /nfs/dbraw/zinc/04/87/86/571048786.db2.gz XFNFCWNTPAFZFN-KRWDZBQOSA-N 0 0 423.545 5.451 40 5 HKBBRN S=C(Nc1ccc2[nH]c3nc4ccccc4nc3c2c1)Nc1ccc2ccccc2c1 ZINC000038261885 569359704 /nfs/dbraw/zinc/35/97/04/569359704.db2.gz HFNJIRHLXDEZGD-UHFFFAOYSA-N 0 0 419.513 6.226 40 5 HKBBRN CCOc1ccc(NC(=S)Nc2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1 ZINC000038305873 569359787 /nfs/dbraw/zinc/35/97/87/569359787.db2.gz CJCWYDWVBZLSFE-UHFFFAOYSA-N 0 0 413.506 5.472 40 5 HKBBRN Cc1ccc(N(C)C(=S)Oc2ccc3nc4[nH]c5ccccc5c4nc3c2)cc1C ZINC000038315158 569359733 /nfs/dbraw/zinc/35/97/33/569359733.db2.gz ONWHWQGFTGTWPM-UHFFFAOYSA-N 0 0 412.518 5.681 40 5 HKBBRN COc1ccc(N(C)C(=S)Oc2ccc3nc4[nH]c5ccccc5c4nc3c2)cc1 ZINC000038316139 558646146 /nfs/dbraw/zinc/64/61/46/558646146.db2.gz LSWNMZWJSYPDFL-UHFFFAOYSA-N 0 0 414.490 5.073 40 5 HKBBRN Cc1ccc(C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1[N+](=O)[O-] ZINC000038772635 571081081 /nfs/dbraw/zinc/08/10/81/571081081.db2.gz SPHMUOMVFOAYJE-UHFFFAOYSA-N 0 0 416.477 5.684 40 5 HKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000038859706 571088457 /nfs/dbraw/zinc/08/84/57/571088457.db2.gz NWLFUIQIVQAKEH-UHFFFAOYSA-N 0 0 422.312 5.061 40 5 HKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038859709 571088471 /nfs/dbraw/zinc/08/84/71/571088471.db2.gz RZNCJQBQIJZQNS-UHFFFAOYSA-N 0 0 422.312 5.061 40 5 HKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000038859712 571088448 /nfs/dbraw/zinc/08/84/48/571088448.db2.gz IRCDATCGTXYNFG-UHFFFAOYSA-N 0 0 422.312 5.061 40 5 HKBBRN Cc1c(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cccc1[N+](=O)[O-] ZINC000038860181 571089945 /nfs/dbraw/zinc/08/99/45/571089945.db2.gz NAPRMALOEPNAFP-UHFFFAOYSA-N 0 0 422.312 5.061 40 5 HKBBRN Cc1c(NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cccc1[N+](=O)[O-] ZINC000038860183 571090124 /nfs/dbraw/zinc/09/01/24/571090124.db2.gz JKCGTYKDNADXDL-UHFFFAOYSA-N 0 0 422.312 5.061 40 5 HKBBRN Cc1c(NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cccc1[N+](=O)[O-] ZINC000038860186 571090267 /nfs/dbraw/zinc/09/02/67/571090267.db2.gz KLBNJWOULQNSFS-UHFFFAOYSA-N 0 0 422.312 5.061 40 5 HKBBRN Cc1ccc2c(Cl)c(C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)sc2c1 ZINC000039763850 571134267 /nfs/dbraw/zinc/13/42/67/571134267.db2.gz HRLQAXWTRZKARR-UHFFFAOYSA-N 0 0 414.830 5.074 40 5 HKBBRN COc1cc(/C=C/C(=O)Nc2ccnc3c4ccccc4ccc23)cc(OC)c1OC ZINC000040384306 521934953 /nfs/dbraw/zinc/93/49/53/521934953.db2.gz AEWDGXZLEXSHNS-DHZHZOJOSA-N 0 0 414.461 5.066 40 5 HKBBRN O=C(CSc1nc2ccccc2s1)Nc1ccnc2c3ccccc3ccc12 ZINC000040384357 527064370 /nfs/dbraw/zinc/06/43/70/527064370.db2.gz PDSYTHLOZOQPHU-UHFFFAOYSA-N 0 0 401.516 5.729 40 5 HKBBRN Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)c2ccc3ccccc3c2n1 ZINC000040384450 525152960 /nfs/dbraw/zinc/15/29/60/525152960.db2.gz RDINDKBQVLCYTH-UHFFFAOYSA-N 0 0 411.288 6.021 40 5 HKBBRN Cc1cc(NC(=O)CSc2nc3ccccc3s2)c2ccc3ccccc3c2n1 ZINC000040384499 525155934 /nfs/dbraw/zinc/15/59/34/525155934.db2.gz CLUZAOFUKJOGNB-UHFFFAOYSA-N 0 0 415.543 6.037 40 5 HKBBRN Cc1nc(NC(=O)C(C)(C)C)sc1-c1csc(Nc2cccc([N+](=O)[O-])c2)n1 ZINC000040556432 526974393 /nfs/dbraw/zinc/97/43/93/526974393.db2.gz WLYFHHJQIOPTGX-UHFFFAOYSA-N 0 0 417.516 5.211 40 5 HKBBRN COc1ccc([C@H](C)NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000044839533 525302152 /nfs/dbraw/zinc/30/21/52/525302152.db2.gz PNGURCVRBSDKHX-CSUZIONRSA-N 0 0 402.450 5.021 40 5 HKBBRN COc1ccc([C@@H](C)NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000044839538 525129988 /nfs/dbraw/zinc/12/99/88/525129988.db2.gz PNGURCVRBSDKHX-BXDFRRGMSA-N 0 0 402.450 5.021 40 5 HKBBRN Cc1oc(-c2ccccc2)cc1CN1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000055398867 568773585 /nfs/dbraw/zinc/77/35/85/568773585.db2.gz QKMLOALQOLZRHR-UHFFFAOYSA-N 0 0 411.889 5.139 40 5 HKBBRN Cc1ccc(C)c2sc(NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc21 ZINC000057313094 568826376 /nfs/dbraw/zinc/82/63/76/568826376.db2.gz IMLZESWSAQEOES-ZRDIBKRKSA-N 0 0 419.462 5.733 40 5 HKBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000057313278 568826439 /nfs/dbraw/zinc/82/64/39/568826439.db2.gz QMJJQXPRFPIJMK-UHFFFAOYSA-N 0 0 412.210 5.277 40 5 HKBBRN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000057313434 568826399 /nfs/dbraw/zinc/82/63/99/568826399.db2.gz FTCWLJNVHCTHAN-JXMROGBWSA-N 0 0 413.773 5.068 40 5 HKBBRN CCCOC(=O)c1ccc(NC(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)cc1 ZINC000057313675 568826349 /nfs/dbraw/zinc/82/63/49/568826349.db2.gz KZTFLXUFJWXKST-UHFFFAOYSA-N 0 0 418.858 5.282 40 5 HKBBRN CCC(=O)Nc1ccc(NC(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)cc1 ZINC000057314105 568826384 /nfs/dbraw/zinc/82/63/84/568826384.db2.gz WQBVCOWKEOUHDE-UHFFFAOYSA-N 0 0 403.847 5.064 40 5 HKBBRN CCN(CC)c1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(C)c1 ZINC000057315600 568491923 /nfs/dbraw/zinc/49/19/23/568491923.db2.gz JFEOJWWIEYKNTI-NTCAYCPXSA-N 0 0 419.481 5.661 40 5 HKBBRN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1nc2ccc(F)cc2s1 ZINC000057315694 568826442 /nfs/dbraw/zinc/82/64/42/568826442.db2.gz VCFOEESSOFPYKP-JXMROGBWSA-N 0 0 409.398 5.256 40 5 HKBBRN O=C(Nc1ccc(Cl)c(Cl)c1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000057315712 568491943 /nfs/dbraw/zinc/49/19/43/568491943.db2.gz RYTDWEWHQGHCNF-UHFFFAOYSA-N 0 0 401.658 6.022 40 5 HKBBRN O=C(Nc1ccccc1N1CCCC1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000057315719 568826445 /nfs/dbraw/zinc/82/64/45/568826445.db2.gz GRMCBLUBWDRWAD-UHFFFAOYSA-N 0 0 401.875 5.315 40 5 HKBBRN Cc1ccc2nc(NC(=O)c3sc4c(cccc4[N+](=O)[O-])c3Cl)sc2c1 ZINC000057315774 568826345 /nfs/dbraw/zinc/82/63/45/568826345.db2.gz WGMOOTFAVWREGZ-UHFFFAOYSA-N 0 0 403.872 5.633 40 5 HKBBRN CC1CCN(c2ccc(C(=O)Nc3ccccc3N3CCCCC3)cc2[N+](=O)[O-])CC1 ZINC000057316004 568492170 /nfs/dbraw/zinc/49/21/70/568492170.db2.gz LXAYLIJOMVSBGO-UHFFFAOYSA-N 0 0 422.529 5.074 40 5 HKBBRN Cc1ccc2nc(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)sc2c1 ZINC000057316081 568492187 /nfs/dbraw/zinc/49/21/87/568492187.db2.gz NDYPYQFWGCLTLO-UHFFFAOYSA-N 0 0 410.499 5.002 40 5 HKBBRN CCN(CC)c1ccc(NC(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)cc1 ZINC000057316087 568492227 /nfs/dbraw/zinc/49/22/27/568492227.db2.gz CVDMKOUODIKEOW-UHFFFAOYSA-N 0 0 403.891 5.561 40 5 HKBBRN O=C(Nc1cc(Cl)ccc1Cl)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000057316091 568826449 /nfs/dbraw/zinc/82/64/49/568826449.db2.gz FQGXDVCIRFMXLS-UHFFFAOYSA-N 0 0 401.658 6.022 40 5 HKBBRN CC(C)C(=O)Nc1ccc(NC(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)cc1 ZINC000057316141 568492196 /nfs/dbraw/zinc/49/21/96/568492196.db2.gz MLGOAEKIBVWDFK-UHFFFAOYSA-N 0 0 417.874 5.310 40 5 HKBBRN CCN(CC)c1ccc(NC(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)c(C)c1 ZINC000057316156 568492220 /nfs/dbraw/zinc/49/22/20/568492220.db2.gz UCUXFHMOCLYGOW-UHFFFAOYSA-N 0 0 417.918 5.870 40 5 HKBBRN CC(C)(C)c1ccc(OC(C)(C)C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 ZINC000057316178 568826353 /nfs/dbraw/zinc/82/63/53/568826353.db2.gz SIFGXIJTAFOMDZ-UHFFFAOYSA-N 0 0 413.499 5.298 40 5 HKBBRN O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1ccc2c3c(cccc31)CC2 ZINC000059010511 568936712 /nfs/dbraw/zinc/93/67/12/568936712.db2.gz FRKOHAJRQWJEJG-UHFFFAOYSA-N 0 0 421.503 5.187 40 5 HKBBRN Cc1cc2sc(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)nc2c(C)c1 ZINC000059294105 568950180 /nfs/dbraw/zinc/95/01/80/568950180.db2.gz ZSCVJAZQGUFTJS-UHFFFAOYSA-N 0 0 424.526 5.310 40 5 HKBBRN O=C(Nc1nc2ccc(F)cc2s1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000059294635 568950223 /nfs/dbraw/zinc/95/02/23/568950223.db2.gz IPPOZNOMSXXUJN-UHFFFAOYSA-N 0 0 407.835 5.464 40 5 HKBBRN O=C(Nc1ccc(Oc2ccc(F)cc2)c(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000059417202 568953074 /nfs/dbraw/zinc/95/30/74/568953074.db2.gz JZHPTZVLJVUWMP-UHFFFAOYSA-N 0 0 420.318 5.797 40 5 HKBBRN CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)c1ccccc1[N+](=O)[O-] ZINC000059428126 568953300 /nfs/dbraw/zinc/95/33/00/568953300.db2.gz ZPTAPYCVWDKXTM-UHFFFAOYSA-N 0 0 414.533 6.010 40 5 HKBBRN C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000059428164 568953293 /nfs/dbraw/zinc/95/32/93/568953293.db2.gz HYPQEWNVAGVBMU-VGSWGCGISA-N 0 0 401.466 5.116 40 5 HKBBRN C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000059428166 568953376 /nfs/dbraw/zinc/95/33/76/568953376.db2.gz HYPQEWNVAGVBMU-JTSKRJEESA-N 0 0 401.466 5.116 40 5 HKBBRN C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000059428167 568953352 /nfs/dbraw/zinc/95/33/52/568953352.db2.gz HYPQEWNVAGVBMU-VGOFRKELSA-N 0 0 401.466 5.116 40 5 HKBBRN C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000059428169 568706527 /nfs/dbraw/zinc/70/65/27/568706527.db2.gz HYPQEWNVAGVBMU-HTAPYJJXSA-N 0 0 401.466 5.116 40 5 HKBBRN O=C(c1ccccc1[N+](=O)[O-])N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000059431879 568954463 /nfs/dbraw/zinc/95/44/63/568954463.db2.gz XSQOKIHZCRMVLX-UHFFFAOYSA-N 0 0 416.380 6.057 40 5 HKBBRN O=C(Nc1cc(C(F)(F)F)ccc1OCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000059459243 568955489 /nfs/dbraw/zinc/95/54/89/568955489.db2.gz QZGSXRFWBJKPBH-UHFFFAOYSA-N 0 0 416.355 5.445 40 5 HKBBRN O=C(Nc1cc(C(F)(F)F)ccc1OCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000059459244 568955591 /nfs/dbraw/zinc/95/55/91/568955591.db2.gz LJXHRASURKDIQG-UHFFFAOYSA-N 0 0 416.355 5.445 40 5 HKBBRN O=C(Nc1cc(C(F)(F)F)ccc1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000059459245 568955535 /nfs/dbraw/zinc/95/55/35/568955535.db2.gz GIAOVHKEJLXINK-UHFFFAOYSA-N 0 0 416.355 5.445 40 5 HKBBRN O=C(Nc1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1 ZINC000059463577 568955533 /nfs/dbraw/zinc/95/55/33/568955533.db2.gz UZWLICNEHQNKGG-UHFFFAOYSA-N 0 0 401.447 5.638 40 5 HKBBRN Cc1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000059463578 568955509 /nfs/dbraw/zinc/95/55/09/568955509.db2.gz KJPHQAOKCJVGEA-UHFFFAOYSA-N 0 0 415.474 5.946 40 5 HKBBRN Cc1cccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000059463580 568955473 /nfs/dbraw/zinc/95/54/73/568955473.db2.gz NBARTKYHHYAPJJ-UHFFFAOYSA-N 0 0 415.474 5.946 40 5 HKBBRN Cc1ccc(-c2nc(NC(=O)c3ccco3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000059463605 568955537 /nfs/dbraw/zinc/95/55/37/568955537.db2.gz NGAQCXVXCLQZCP-UHFFFAOYSA-N 0 0 405.435 5.539 40 5 HKBBRN CC(C)(C)c1ccc(-c2nnc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)s2)cc1 ZINC000059475011 568955746 /nfs/dbraw/zinc/95/57/46/568955746.db2.gz YEBQNUAWAULWAX-UHFFFAOYSA-N 0 0 416.890 5.317 40 5 HKBBRN O=[N+]([O-])c1ccc(NCCOc2cccc(Oc3ccccc3)c2)c(C(F)(F)F)c1 ZINC000059475467 568955694 /nfs/dbraw/zinc/95/56/94/568955694.db2.gz SMCKDSIZELDNQC-UHFFFAOYSA-N 0 0 418.371 5.897 40 5 HKBBRN CCCCc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000059483692 568956211 /nfs/dbraw/zinc/95/62/11/568956211.db2.gz GGXNSXABSPUJBP-HSZRJFAPSA-N 0 0 401.466 5.709 40 5 HKBBRN CCCCc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000059483694 568956257 /nfs/dbraw/zinc/95/62/57/568956257.db2.gz GGXNSXABSPUJBP-QHCPKHFHSA-N 0 0 401.466 5.709 40 5 HKBBRN O=[N+]([O-])c1ccc2nc(S[C@@H](c3ccccc3)c3ccc(Cl)cc3)sc2c1 ZINC000059488324 568956388 /nfs/dbraw/zinc/95/63/88/568956388.db2.gz YWZAMUWTHVCYPS-IBGZPJMESA-N 0 0 412.923 6.740 40 5 HKBBRN O=[N+]([O-])c1ccc2nc(S[C@H](c3ccccc3)c3ccc(Cl)cc3)sc2c1 ZINC000059488325 568956403 /nfs/dbraw/zinc/95/64/03/568956403.db2.gz YWZAMUWTHVCYPS-LJQANCHMSA-N 0 0 412.923 6.740 40 5 HKBBRN COc1ccc(C2=N[C@H](c3ccc([N+](=O)[O-])cc3)N=C(c3ccccc3)S2)cc1 ZINC000059488716 568956429 /nfs/dbraw/zinc/95/64/29/568956429.db2.gz JKZOBUNPIPPLRH-HXUWFJFHSA-N 0 0 403.463 5.242 40 5 HKBBRN COc1ccc(C2=N[C@@H](c3ccc([N+](=O)[O-])cc3)N=C(c3ccccc3)S2)cc1 ZINC000059488717 568956384 /nfs/dbraw/zinc/95/63/84/568956384.db2.gz JKZOBUNPIPPLRH-FQEVSTJZSA-N 0 0 403.463 5.242 40 5 HKBBRN CC[C@@H]1CCCCN1c1ccc([N+](=O)[O-])cc1[C@H]1OCCCN1Cc1ccccc1 ZINC000059489912 568956404 /nfs/dbraw/zinc/95/64/04/568956404.db2.gz YJYLKPFZDKGKSK-HYBUGGRVSA-N 0 0 409.530 5.285 40 5 HKBBRN CC[C@H]1CCCCN1c1ccc([N+](=O)[O-])cc1[C@H]1OCCCN1Cc1ccccc1 ZINC000059489913 568956417 /nfs/dbraw/zinc/95/64/17/568956417.db2.gz YJYLKPFZDKGKSK-GBXCKJPGSA-N 0 0 409.530 5.285 40 5 HKBBRN CN(c1ccc([N+](=O)[O-])cc1[C@H]1OCCCN1Cc1ccccc1)C1CCCCC1 ZINC000059489916 568956379 /nfs/dbraw/zinc/95/63/79/568956379.db2.gz YQZRIHIGEUYKLL-XMMPIXPASA-N 0 0 409.530 5.285 40 5 HKBBRN CN(c1ccc([N+](=O)[O-])cc1[C@@H]1OCCCN1Cc1ccccc1)C1CCCCC1 ZINC000059489917 568956397 /nfs/dbraw/zinc/95/63/97/568956397.db2.gz YQZRIHIGEUYKLL-DEOSSOPVSA-N 0 0 409.530 5.285 40 5 HKBBRN CCN(CC)c1ccc([N+](=O)[O-])cc1[C@H]1OCCCN1Cc1ccc(Cl)cc1 ZINC000059490024 568956389 /nfs/dbraw/zinc/95/63/89/568956389.db2.gz SNQLCUOMMCFGLZ-OAQYLSRUSA-N 0 0 403.910 5.016 40 5 HKBBRN CCN(CC)c1ccc([N+](=O)[O-])cc1[C@@H]1OCCCN1Cc1ccc(Cl)cc1 ZINC000059490025 568956426 /nfs/dbraw/zinc/95/64/26/568956426.db2.gz SNQLCUOMMCFGLZ-NRFANRHFSA-N 0 0 403.910 5.016 40 5 HKBBRN O=[N+]([O-])c1ccc(N2CCCCC2)c([C@H]2OCCCN2Cc2ccc(Cl)cc2)c1 ZINC000059490026 568956395 /nfs/dbraw/zinc/95/63/95/568956395.db2.gz NJFUVLYQRXZYKK-JOCHJYFZSA-N 0 0 415.921 5.160 40 5 HKBBRN O=[N+]([O-])c1ccc(N2CCCCC2)c([C@@H]2OCCCN2Cc2ccc(Cl)cc2)c1 ZINC000059490027 568956441 /nfs/dbraw/zinc/95/64/41/568956441.db2.gz NJFUVLYQRXZYKK-QFIPXVFZSA-N 0 0 415.921 5.160 40 5 HKBBRN Cc1ccc(C)c(N2C(=N)S/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)c1 ZINC000059639185 569352376 /nfs/dbraw/zinc/35/23/76/569352376.db2.gz VBDKWECUUKCCPM-GWBOVJIUSA-N 0 0 419.462 5.527 40 5 HKBBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000059960983 568709795 /nfs/dbraw/zinc/70/97/95/568709795.db2.gz CSQKKZNLPOXKMO-XCVCLJGOSA-N 0 0 402.494 5.715 40 5 HKBBRN O=C(Nc1ccccc1C(F)(F)F)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000060740317 569352459 /nfs/dbraw/zinc/35/24/59/569352459.db2.gz MMRXFHXOOHVUKX-UHFFFAOYSA-N 0 0 410.735 5.779 40 5 HKBBRN Cc1c(NC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)cccc1[N+](=O)[O-] ZINC000063473566 568835237 /nfs/dbraw/zinc/83/52/37/568835237.db2.gz KFTCENQLKCBVSL-UHFFFAOYSA-N 0 0 417.396 5.617 40 5 HKBBRN O=C1CC[C@@H](Sc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)N1c1ccccc1 ZINC000065090564 569391162 /nfs/dbraw/zinc/39/11/62/569391162.db2.gz WDSBIHQEZMHHQZ-FYYLOGMGSA-N 0 0 404.491 5.624 40 5 HKBBRN O=C1CC[C@@H](Sc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)N1c1ccccc1 ZINC000065090565 569391099 /nfs/dbraw/zinc/39/10/99/569391099.db2.gz WDSBIHQEZMHHQZ-GGAORHGYSA-N 0 0 404.491 5.624 40 5 HKBBRN O=C1CC[C@H](Sc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)N1c1ccccc1 ZINC000065090566 569391171 /nfs/dbraw/zinc/39/11/71/569391171.db2.gz WDSBIHQEZMHHQZ-JTHBVZDNSA-N 0 0 404.491 5.624 40 5 HKBBRN O=C1CC[C@H](Sc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)N1c1ccccc1 ZINC000065090568 569391182 /nfs/dbraw/zinc/39/11/82/569391182.db2.gz WDSBIHQEZMHHQZ-GMAHTHKFSA-N 0 0 404.491 5.624 40 5 HKBBRN COc1ccc(Cc2ccc([N+](=O)[O-])cc2)cc1-c1noc(-c2cccc(Cl)c2)n1 ZINC000066089149 569394000 /nfs/dbraw/zinc/39/40/00/569394000.db2.gz BGSSOEBHVJZKHM-UHFFFAOYSA-N 0 0 421.840 5.565 40 5 HKBBRN c1ccc(-c2cccc3c2cc2c(-c4ccccc4)cccc2c3-c2ccccc2)cc1 ZINC000068568354 558863468 /nfs/dbraw/zinc/86/34/68/558863468.db2.gz CLBYGUBRBAEDGE-UHFFFAOYSA-N 0 0 406.528 8.994 40 5 HKBBRN c1ccc(Cc2ccc3c4ccccc4c4ccccc4c3c2Cc2ccccc2)cc1 ZINC000068568932 558863504 /nfs/dbraw/zinc/86/35/04/558863504.db2.gz SVDFLYTWVCWCHH-UHFFFAOYSA-N 0 0 408.544 8.328 40 5 HKBBRN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2-c2nc3cc(Cl)ccc3o2)cc1 ZINC000068603139 569399741 /nfs/dbraw/zinc/39/97/41/569399741.db2.gz UMOJEIBAASGULL-UHFFFAOYSA-N 0 0 416.824 5.909 40 5 HKBBRN CC(C)(C)OC(=O)NCCCCCCNC(=O)c1c2ccccc2nc2ccccc21 ZINC000071611318 558905851 /nfs/dbraw/zinc/90/58/51/558905851.db2.gz OMSZQCMQRYAYLA-UHFFFAOYSA-N 0 0 421.541 5.203 40 5 HKBBRN CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)C(C)(C)Oc1ccc(Br)cc1 ZINC000072228883 559169970 /nfs/dbraw/zinc/16/99/70/559169970.db2.gz AEFOULDDFOJOIM-UHFFFAOYSA-N 0 0 421.291 5.024 40 5 HKBBRN CCc1ccc(C(=O)Nc2cc(NC3CCCCC3)c([N+](=O)[O-])cc2Cl)cc1 ZINC000072229126 559170132 /nfs/dbraw/zinc/17/01/32/559170132.db2.gz HRYLMZFDEZSPNG-UHFFFAOYSA-N 0 0 401.894 5.808 40 5 HKBBRN CC(C)c1ccc(C(=O)Nc2cc(NC3CCCCC3)c([N+](=O)[O-])cc2Cl)cc1 ZINC000072229127 559170254 /nfs/dbraw/zinc/17/02/54/559170254.db2.gz MKEYHCHSTUIZOJ-UHFFFAOYSA-N 0 0 415.921 6.369 40 5 HKBBRN CCN(CC)c1cc(NC(=O)c2ccc(C(C)(C)C)cc2)c(Cl)cc1[N+](=O)[O-] ZINC000072229134 559170011 /nfs/dbraw/zinc/17/00/11/559170011.db2.gz SZSZHAYUGMMFCT-UHFFFAOYSA-N 0 0 403.910 5.644 40 5 HKBBRN CC(C)(C)c1ccc(C(=O)Nc2cc(N3CCCC3)c([N+](=O)[O-])cc2Cl)cc1 ZINC000072229135 559169877 /nfs/dbraw/zinc/16/98/77/559169877.db2.gz VRYVTFHRDUQVIB-UHFFFAOYSA-N 0 0 401.894 5.398 40 5 HKBBRN CC(C)(C)c1ccc(C(=O)Nc2cc(N3CCCCC3)c([N+](=O)[O-])cc2Cl)cc1 ZINC000072229141 559169850 /nfs/dbraw/zinc/16/98/50/559169850.db2.gz UFVKEFBCTNMFAE-UHFFFAOYSA-N 0 0 415.921 5.788 40 5 HKBBRN CC(C)c1ccc(C(=O)Nc2cc(N3CCCCC3)c([N+](=O)[O-])cc2Cl)cc1 ZINC000072229142 559170215 /nfs/dbraw/zinc/17/02/15/559170215.db2.gz HPQHJUJBCAOLBC-UHFFFAOYSA-N 0 0 401.894 5.614 40 5 HKBBRN CCc1ccc(C(=O)Nc2cc(N3CCCC[C@@H]3C)c([N+](=O)[O-])cc2Cl)cc1 ZINC000072229144 559170079 /nfs/dbraw/zinc/17/00/79/559170079.db2.gz HVVFRYJRTSKLSK-AWEZNQCLSA-N 0 0 401.894 5.442 40 5 HKBBRN CCc1ccc(C(=O)Nc2cc(N3CCCC[C@H]3C)c([N+](=O)[O-])cc2Cl)cc1 ZINC000072229145 559169864 /nfs/dbraw/zinc/16/98/64/559169864.db2.gz HVVFRYJRTSKLSK-CQSZACIVSA-N 0 0 401.894 5.442 40 5 HKBBRN CC(C)c1ccc(C(=O)Nc2cc(N3CCCC[C@H]3C)c([N+](=O)[O-])cc2Cl)cc1 ZINC000072229146 559170064 /nfs/dbraw/zinc/17/00/64/559170064.db2.gz BOKNYETYYGINGJ-OAHLLOKOSA-N 0 0 415.921 6.003 40 5 HKBBRN CC(C)c1ccc(C(=O)Nc2cc(N3CCCC[C@@H]3C)c([N+](=O)[O-])cc2Cl)cc1 ZINC000072229147 559170114 /nfs/dbraw/zinc/17/01/14/559170114.db2.gz BOKNYETYYGINGJ-HNNXBMFYSA-N 0 0 415.921 6.003 40 5 HKBBRN CC(C)c1ccc(C(=O)Nc2cc(N3CCC(C)CC3)c([N+](=O)[O-])cc2Cl)cc1 ZINC000072229151 559170068 /nfs/dbraw/zinc/17/00/68/559170068.db2.gz QKYFJYHKAHVYKC-UHFFFAOYSA-N 0 0 415.921 5.860 40 5 HKBBRN CCc1ccc(C(=O)Nc2cc(N3CCC(C)CC3)c([N+](=O)[O-])cc2Cl)cc1 ZINC000072229152 559169847 /nfs/dbraw/zinc/16/98/47/559169847.db2.gz DVLAHNYZOZZIGB-UHFFFAOYSA-N 0 0 401.894 5.299 40 5 HKBBRN O=C(Nc1cc(NC2CCCCC2)c([N+](=O)[O-])cc1Cl)c1ccccc1Cl ZINC000072229226 559170191 /nfs/dbraw/zinc/17/01/91/559170191.db2.gz MQMWFLLJBIQPRP-UHFFFAOYSA-N 0 0 408.285 5.899 40 5 HKBBRN C[C@@H]1CCCCN1c1cc(NC(=O)c2ccccc2Cl)c(Cl)cc1[N+](=O)[O-] ZINC000072229238 559170005 /nfs/dbraw/zinc/17/00/05/559170005.db2.gz ZYOSQOBWYXKILT-GFCCVEGCSA-N 0 0 408.285 5.533 40 5 HKBBRN C[C@H]1CCCCN1c1cc(NC(=O)c2ccccc2Cl)c(Cl)cc1[N+](=O)[O-] ZINC000072229239 559170077 /nfs/dbraw/zinc/17/00/77/559170077.db2.gz ZYOSQOBWYXKILT-LBPRGKRZSA-N 0 0 408.285 5.533 40 5 HKBBRN CC1CCN(c2cc(NC(=O)c3ccccc3Cl)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000072229241 559170307 /nfs/dbraw/zinc/17/03/07/559170307.db2.gz QOKUHZVHGIOGIQ-UHFFFAOYSA-N 0 0 408.285 5.390 40 5 HKBBRN O=C(Nc1cc(NC2CCCCC2)c([N+](=O)[O-])cc1Cl)c1cccc(Cl)c1 ZINC000072229265 559169988 /nfs/dbraw/zinc/16/99/88/559169988.db2.gz STZGYKRCIVWYEI-UHFFFAOYSA-N 0 0 408.285 5.899 40 5 HKBBRN C[C@@H]1CCCCN1c1cc(NC(=O)c2cccc(Cl)c2)c(Cl)cc1[N+](=O)[O-] ZINC000072229275 559170066 /nfs/dbraw/zinc/17/00/66/559170066.db2.gz RKRWHIYLMASBTB-GFCCVEGCSA-N 0 0 408.285 5.533 40 5 HKBBRN C[C@H]1CCCCN1c1cc(NC(=O)c2cccc(Cl)c2)c(Cl)cc1[N+](=O)[O-] ZINC000072229276 559169972 /nfs/dbraw/zinc/16/99/72/559169972.db2.gz RKRWHIYLMASBTB-LBPRGKRZSA-N 0 0 408.285 5.533 40 5 HKBBRN CC1CCN(c2cc(NC(=O)c3cccc(Cl)c3)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000072229277 559169997 /nfs/dbraw/zinc/16/99/97/559169997.db2.gz QDKSTQXPKIXXEN-UHFFFAOYSA-N 0 0 408.285 5.390 40 5 HKBBRN O=C(Nc1cc(NC2CCCCC2)c([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 ZINC000072229336 559169856 /nfs/dbraw/zinc/16/98/56/559169856.db2.gz PTSXUSPHCOLZJH-UHFFFAOYSA-N 0 0 408.285 5.899 40 5 HKBBRN CC1CCN(c2cc(NC(=O)c3ccc(Cl)cc3)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000072229351 559170185 /nfs/dbraw/zinc/17/01/85/559170185.db2.gz NHEDKUPGYKTSCC-UHFFFAOYSA-N 0 0 408.285 5.390 40 5 HKBBRN C[C@@H]1CCCCN1c1cc(NC(=O)c2ccc(Cl)cc2)c(Cl)cc1[N+](=O)[O-] ZINC000072229353 559169893 /nfs/dbraw/zinc/16/98/93/559169893.db2.gz CTIAERUOPLQBKS-GFCCVEGCSA-N 0 0 408.285 5.533 40 5 HKBBRN C[C@H]1CCCCN1c1cc(NC(=O)c2ccc(Cl)cc2)c(Cl)cc1[N+](=O)[O-] ZINC000072229354 559170137 /nfs/dbraw/zinc/17/01/37/559170137.db2.gz CTIAERUOPLQBKS-LBPRGKRZSA-N 0 0 408.285 5.533 40 5 HKBBRN CCN(CC)c1cc(NC(=O)c2cc(Cl)ccc2Cl)c(Cl)cc1[N+](=O)[O-] ZINC000072229389 559170217 /nfs/dbraw/zinc/17/02/17/559170217.db2.gz ISORPVXZXSASSP-UHFFFAOYSA-N 0 0 416.692 5.654 40 5 HKBBRN CCN(CC)c1cc(NC(=O)c2ccc(Cl)c(Cl)c2)c(Cl)cc1[N+](=O)[O-] ZINC000072229390 559170212 /nfs/dbraw/zinc/17/02/12/559170212.db2.gz DCYOSMSSCYCEBQ-UHFFFAOYSA-N 0 0 416.692 5.654 40 5 HKBBRN CCN(CC)c1cc(NC(=O)c2ccc(Cl)cc2Cl)c(Cl)cc1[N+](=O)[O-] ZINC000072229391 559169991 /nfs/dbraw/zinc/16/99/91/559169991.db2.gz GMHUBCOOPXVSIL-UHFFFAOYSA-N 0 0 416.692 5.654 40 5 HKBBRN O=C(Nc1cc(N2CCCC2)c([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1Cl ZINC000072229395 559169978 /nfs/dbraw/zinc/16/99/78/559169978.db2.gz PFDSUBGQCYIIBJ-UHFFFAOYSA-N 0 0 414.676 5.408 40 5 HKBBRN O=C(Nc1cc(N2CCCC2)c([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1Cl ZINC000072229396 559169974 /nfs/dbraw/zinc/16/99/74/559169974.db2.gz KWDCAWIALBYCSJ-UHFFFAOYSA-N 0 0 414.676 5.408 40 5 HKBBRN O=C(Nc1cc(N2CCCC2)c([N+](=O)[O-])cc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000072229397 559169998 /nfs/dbraw/zinc/16/99/98/559169998.db2.gz IAMPUAOQTDJIHC-UHFFFAOYSA-N 0 0 414.676 5.408 40 5 HKBBRN O=C(COc1ccc(Cl)cc1Cl)Nc1cc(Cl)c([N+](=O)[O-])cc1Cl ZINC000072229516 559170096 /nfs/dbraw/zinc/17/00/96/559170096.db2.gz BYMJKMXIBNLTBF-UHFFFAOYSA-N 0 0 410.040 5.226 40 5 HKBBRN Cc1cc(OCC(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2Cl)cc(C)c1Cl ZINC000072229522 559169962 /nfs/dbraw/zinc/16/99/62/559169962.db2.gz LVRRODGBYAWCOB-UHFFFAOYSA-N 0 0 403.649 5.189 40 5 HKBBRN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1Cl ZINC000072229523 559169967 /nfs/dbraw/zinc/16/99/67/559169967.db2.gz GWXYUMVMZWNEIS-ZETCQYMHSA-N 0 0 424.067 5.614 40 5 HKBBRN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1Cl ZINC000072229524 559169961 /nfs/dbraw/zinc/16/99/61/559169961.db2.gz GWXYUMVMZWNEIS-SSDOTTSWSA-N 0 0 424.067 5.614 40 5 HKBBRN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1Cl ZINC000072229530 559170104 /nfs/dbraw/zinc/17/01/04/559170104.db2.gz XQDDCPRHLUTJJT-UHFFFAOYSA-N 0 0 403.649 5.351 40 5 HKBBRN COc1ccccc1C(=O)Nc1cc(NC2CCCCC2)c([N+](=O)[O-])cc1Cl ZINC000072229532 559169903 /nfs/dbraw/zinc/16/99/03/559169903.db2.gz CDAFOEHDRWQWEP-UHFFFAOYSA-N 0 0 403.866 5.254 40 5 HKBBRN COc1cccc(C(=O)Nc2cc(NC3CCCCC3)c([N+](=O)[O-])cc2Cl)c1 ZINC000072229569 559170062 /nfs/dbraw/zinc/17/00/62/559170062.db2.gz FKFSCRCSVBVYQC-UHFFFAOYSA-N 0 0 403.866 5.254 40 5 HKBBRN COc1ccc(C(=O)Nc2cc(NC3CCCCC3)c([N+](=O)[O-])cc2Cl)cc1 ZINC000072229572 559169931 /nfs/dbraw/zinc/16/99/31/559169931.db2.gz SGZHZVVPWLARBW-UHFFFAOYSA-N 0 0 403.866 5.254 40 5 HKBBRN O=C(COc1ccccc1)Nc1cc(NC2CCCCC2)c([N+](=O)[O-])cc1Cl ZINC000072229613 559170014 /nfs/dbraw/zinc/17/00/14/559170014.db2.gz BXMYZGRWVXMENP-UHFFFAOYSA-N 0 0 403.866 5.010 40 5 HKBBRN CCn1c2ccccc2c2cc(NC(=O)c3cccc4nc5ccccc5nc43)ccc21 ZINC000085344896 523276788 /nfs/dbraw/zinc/27/67/88/523276788.db2.gz HZFCLCYJHHIGNH-UHFFFAOYSA-N 0 0 416.484 6.163 40 5 HKBBRN COc1ccc(C2=Nc3ccc(C(C)C)cc3C(c3ccc([N+](=O)[O-])cc3)=NN2)cc1 ZINC000095215340 568597476 /nfs/dbraw/zinc/59/74/76/568597476.db2.gz CCCPNOMXTWWLHO-UHFFFAOYSA-N 0 0 414.465 5.161 40 5 HKBBRN O=C(c1cn(CCCCCF)c2cc([N+](=O)[O-])ccc12)c1cccc2ccccc21 ZINC000095705003 568644287 /nfs/dbraw/zinc/64/42/87/568644287.db2.gz LNGVQORPSNNMSZ-UHFFFAOYSA-N 0 0 404.441 6.074 40 5 in-vitro HKBBRN Brc1oc2cc3oc4c(oc3cc2oc1Br)CCC=C4 ZINC000095871178 559088770 /nfs/dbraw/zinc/08/87/70/559088770.db2.gz GPBOIHUYBWTCBC-UHFFFAOYSA-N 0 0 400.022 5.974 40 5 HKBBRN COc1cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c(CC=C(C)C)c1OC ZINC000095910618 291295142 /nfs/dbraw/zinc/29/51/42/291295142.db2.gz BLZDSTHKFQEOIU-UHFFFAOYSA-N 0 0 424.493 5.392 40 5 biogenic,in-vitro HKBBRN Cc1c2ccccc2oc1-c1nnc2sc(-c3ccc([N+](=O)[O-])cc3Cl)nn21 ZINC000096194163 568703891 /nfs/dbraw/zinc/70/38/91/568703891.db2.gz IMVYLEYHGQGALX-UHFFFAOYSA-N 0 0 411.830 5.136 40 5 HKBBRN CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000098044296 559027194 /nfs/dbraw/zinc/02/71/94/559027194.db2.gz PBMVYDNBOIVHBO-CGRWFSSPSA-N 0 0 424.585 7.679 40 5 HKBBRN CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000098091482 559068348 /nfs/dbraw/zinc/06/83/48/559068348.db2.gz PBMVYDNBOIVHBO-BJCBFJDFSA-N 0 0 424.585 7.679 40 5 HKBBRN CC(C)c1cc([N+](=O)[O-])c(-c2c([N+](=O)[O-])cc(C(C)C)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000100099207 559133897 /nfs/dbraw/zinc/13/38/97/559133897.db2.gz VHYYVVFRQVTEBC-UHFFFAOYSA-N 0 0 418.362 5.233 40 5 HKBBRN c1ccccccc(CCCCc2ccccccccccccc2)cccccc1 ZINC000100358941 559134422 /nfs/dbraw/zinc/13/44/22/559134422.db2.gz DVGSNMNOOZMQJL-UHFFFAOYSA-N 0 0 418.624 8.750 40 5 HKBBRN c1ccccccc(CCCc2ccccccccccccc2)cccccc1 ZINC000100358947 559134421 /nfs/dbraw/zinc/13/44/21/559134421.db2.gz HFRWIBFSYNOPTG-UHFFFAOYSA-N 0 0 404.597 8.360 40 5 HKBBRN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NN(c1ccccc1)c1ccccc1 ZINC000100933031 560763363 /nfs/dbraw/zinc/76/33/63/560763363.db2.gz UJEYFFZQIKOMBG-UHFFFAOYSA-N 0 0 417.323 5.511 40 5 HKBBRN O=C(CNc1ccc(Cl)c([N+](=O)[O-])c1)c1cc2c(ccc3ccccc32)oc1=O ZINC000101174626 559143806 /nfs/dbraw/zinc/14/38/06/559143806.db2.gz HDBGWZDDLSQFQT-ODLFYWEKSA-N 0 0 408.797 5.476 40 5 HKBBRN O=C(CNc1ccccc1Oc1ccccc1)c1cc2c(ccc3ccccc32)oc1=O ZINC000101174645 559143812 /nfs/dbraw/zinc/14/38/12/559143812.db2.gz BLGCZRMCYRDDKG-ULJHMMPZSA-N 0 0 421.452 6.707 40 5 HKBBRN O=[N+]([O-])c1ccccc1NCCn1c(-c2ccccc2)cs/c1=N\c1ccccc1 ZINC000101375721 560793006 /nfs/dbraw/zinc/79/30/06/560793006.db2.gz OHWRWINJYKKNQZ-BZZOAKBMSA-N 0 0 416.506 5.469 40 5 HKBBRN O=[N+]([O-])c1ccc2c(c1)N1C(c3ccccc3)=C[C@@H](c3ccccc3)[C@@H]3CCCC[C@]31N2 ZINC000102666880 560819309 /nfs/dbraw/zinc/81/93/09/560819309.db2.gz BTGZMYYPTSGPIQ-VMODYCNZSA-N 0 0 423.516 6.552 40 5 HKBBRN O=[N+]([O-])c1cc([N+](=O)[O-])c(Oc2cc(Cl)c(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000104095643 560848027 /nfs/dbraw/zinc/84/80/27/560848027.db2.gz XHGJAPHMKJBARD-UHFFFAOYSA-N 0 0 408.537 5.164 40 5 HKBBRN O=[N+]([O-])c1ccc2nc3c(nc2c1)O[C@H](c1c2ccccc2cc2ccccc21)C3O ZINC000104240078 559159378 /nfs/dbraw/zinc/15/93/78/559159378.db2.gz JABAQGCUEJXHIF-HSZRJFAPSA-N 0 0 409.401 5.898 40 5 HKBBRN O=[N+]([O-])c1ccc2nc3c(nc2c1)O[C@@H](c1c2ccccc2cc2ccccc21)C3O ZINC000104240081 559159436 /nfs/dbraw/zinc/15/94/36/559159436.db2.gz JABAQGCUEJXHIF-QHCPKHFHSA-N 0 0 409.401 5.898 40 5 HKBBRN Cc1ccc(NC(=S)Nc2ccc3sc4nc5ccccc5nc4c3c2)cc1 ZINC000104358632 569352633 /nfs/dbraw/zinc/35/26/33/569352633.db2.gz ALHIUTWBFRFLGL-UHFFFAOYSA-N 0 0 400.532 6.115 40 5 HKBBRN COc1ccc(NC(=S)Nc2ccc3sc4nc5ccccc5nc4c3c2)cc1 ZINC000104369659 569352604 /nfs/dbraw/zinc/35/26/04/569352604.db2.gz IPOPUBNMGKURNX-UHFFFAOYSA-N 0 0 416.531 5.815 40 5 HKBBRN O=C(Nc1ccccc1)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 ZINC000104375178 569352653 /nfs/dbraw/zinc/35/26/53/569352653.db2.gz KWCLJUPJXDQHLA-UHFFFAOYSA-N 0 0 416.444 5.523 40 5 HKBBRN O=C(Nc1ccc2[nH]c3nc4ccccc4nc3c2c1)Nc1ccc2ccccc2c1 ZINC000104402266 569352640 /nfs/dbraw/zinc/35/26/40/569352640.db2.gz JCEZQMOMDTXYOL-UHFFFAOYSA-N 0 0 403.445 6.062 40 5 HKBBRN S=C(NCCC1=CCCCC1)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1 ZINC000104519525 569352616 /nfs/dbraw/zinc/35/26/16/569352616.db2.gz UQDHTEJQQCDPFO-UHFFFAOYSA-N 0 0 401.539 5.441 40 5 HKBBRN O=C(Nc1ccccc1F)c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 ZINC000104540887 569352632 /nfs/dbraw/zinc/35/26/32/569352632.db2.gz LNFAKZMGOHOKAD-UHFFFAOYSA-N 0 0 419.419 5.271 40 5 HKBBRN Cc1ccc(N(C)C(=S)Nc2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1C ZINC000104766666 569352636 /nfs/dbraw/zinc/35/26/36/569352636.db2.gz SBBTUTFCUGVLAJ-UHFFFAOYSA-N 0 0 411.534 5.714 40 5 HKBBRN O=C1S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C(=O)N1Cc1ccccc1 ZINC000106681233 560892951 /nfs/dbraw/zinc/89/29/51/560892951.db2.gz MPFVOENPMVSUCK-CHHVJCJISA-N 0 0 409.250 5.138 40 5 HKBBRN O=C1S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1Cl ZINC000106685215 560893024 /nfs/dbraw/zinc/89/30/24/560893024.db2.gz XCLMDOXSPXWCRQ-NVNXTCNLSA-N 0 0 409.250 5.138 40 5 HKBBRN O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1Cc1ccc(Cl)cc1 ZINC000106687452 560892991 /nfs/dbraw/zinc/89/29/91/560892991.db2.gz RGPDNCXRPMZCDR-NVNXTCNLSA-N 0 0 409.250 5.138 40 5 HKBBRN O=C1S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000106688464 560892989 /nfs/dbraw/zinc/89/29/89/560892989.db2.gz MANVYWWITGMPFG-NVNXTCNLSA-N 0 0 409.250 5.138 40 5 HKBBRN Cc1ccc(CN2C(=O)S/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1 ZINC000106701787 560893248 /nfs/dbraw/zinc/89/32/48/560893248.db2.gz RVCBRVXEHYCREX-NDENLUEZSA-N 0 0 420.446 5.400 40 5 HKBBRN Cc1ccc(CN2C(=O)S/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)cc1 ZINC000106702407 560893206 /nfs/dbraw/zinc/89/32/06/560893206.db2.gz LVCFEJMHSZJTOI-NDENLUEZSA-N 0 0 420.446 5.400 40 5 HKBBRN Cc1ccc(CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])c(Cl)cc3Cl)C2=O)cc1 ZINC000106702633 560893202 /nfs/dbraw/zinc/89/32/02/560893202.db2.gz LMUJRYLKPXLESX-APSNUPSMSA-N 0 0 423.277 5.447 40 5 HKBBRN Cc1cccc(CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])c(Cl)cc3Cl)C2=O)c1 ZINC000106708300 560893226 /nfs/dbraw/zinc/89/32/26/560893226.db2.gz JAEXRQLTIYFCGU-APSNUPSMSA-N 0 0 423.277 5.447 40 5 HKBBRN O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1Cc1cccc2ccccc21 ZINC000106719683 560893228 /nfs/dbraw/zinc/89/32/28/560893228.db2.gz INPCUTHTQJJYFO-ODLFYWEKSA-N 0 0 424.865 5.638 40 5 HKBBRN O=C1S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1Cc1cccc2ccccc21 ZINC000106719901 560893312 /nfs/dbraw/zinc/89/33/12/560893312.db2.gz OOOJWDHMGQLICF-ODLFYWEKSA-N 0 0 424.865 5.638 40 5 HKBBRN O=C1S/C(=C\c2ccc(-c3ccc(F)cc3)o2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000106727595 560893525 /nfs/dbraw/zinc/89/35/25/560893525.db2.gz RLICMVDLPCGRJL-ODLFYWEKSA-N 0 0 424.409 5.230 40 5 HKBBRN CCCn1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)c2ccccc21 ZINC000106727849 560893560 /nfs/dbraw/zinc/89/35/60/560893560.db2.gz PDZYIAFVQDHYCV-NDENLUEZSA-N 0 0 421.478 5.196 40 5 HKBBRN O=C1S/C(=C\c2ccc(-c3ccccc3)o2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000106728352 560893475 /nfs/dbraw/zinc/89/34/75/560893475.db2.gz JPAYEOWGADJXKC-UNOMPAQXSA-N 0 0 406.419 5.091 40 5 HKBBRN CCCCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000106728830 560893497 /nfs/dbraw/zinc/89/34/97/560893497.db2.gz NPZJZNITHIKAPJ-UYRXBGFRSA-N 0 0 412.467 5.010 40 5 HKBBRN CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000106728834 560893566 /nfs/dbraw/zinc/89/35/66/560893566.db2.gz HSSKCDHCXFXKCE-VCRXTVNUSA-N 0 0 412.467 5.009 40 5 HKBBRN CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000106728837 560893513 /nfs/dbraw/zinc/89/35/13/560893513.db2.gz HSSKCDHCXFXKCE-YQNUULROSA-N 0 0 412.467 5.009 40 5 HKBBRN CCCCOc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000106739260 560893585 /nfs/dbraw/zinc/89/35/85/560893585.db2.gz QRXMBYWMGRYAJF-UYRXBGFRSA-N 0 0 412.467 5.010 40 5 HKBBRN CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000106739274 560893579 /nfs/dbraw/zinc/89/35/79/560893579.db2.gz BWBIXVSVSOEKBB-VCRXTVNUSA-N 0 0 412.467 5.009 40 5 HKBBRN CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000106739276 560893569 /nfs/dbraw/zinc/89/35/69/560893569.db2.gz BWBIXVSVSOEKBB-YQNUULROSA-N 0 0 412.467 5.009 40 5 HKBBRN O=C1S/C(=C\c2ccc(-c3ccccc3)o2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000106743619 560893666 /nfs/dbraw/zinc/89/36/66/560893666.db2.gz JBFBKQNLDIAYAI-UNOMPAQXSA-N 0 0 406.419 5.091 40 5 HKBBRN O=C1S/C(=C\c2ccc(-c3ccc(F)cc3)o2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000106745679 560893691 /nfs/dbraw/zinc/89/36/91/560893691.db2.gz DCBKORGADGKFMY-ODLFYWEKSA-N 0 0 424.409 5.230 40 5 HKBBRN CCCn1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c2ccccc21 ZINC000106745689 560893701 /nfs/dbraw/zinc/89/37/01/560893701.db2.gz HERXXMDZBBTUAI-NDENLUEZSA-N 0 0 421.478 5.196 40 5 HKBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cccc(Cl)c1N1CCCC1 ZINC000107603927 569352730 /nfs/dbraw/zinc/35/27/30/569352730.db2.gz UUKOADJMHUJMTO-VQHVLOKHSA-N 0 0 406.269 5.154 40 5 HKBBRN CCn1c(COc2ccc(C(C)C)cc2)nnc1SCc1ccc([N+](=O)[O-])cc1 ZINC000107671361 569352810 /nfs/dbraw/zinc/35/28/10/569352810.db2.gz JCOITDCNUZIDAA-UHFFFAOYSA-N 0 0 412.515 5.201 40 5 HKBBRN O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2)cc1 ZINC000107740983 569352941 /nfs/dbraw/zinc/35/29/41/569352941.db2.gz YABADACEAZDYFO-UHFFFAOYSA-N 0 0 406.442 5.274 40 5 HKBBRN Cc1noc(/C=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1[N+](=O)[O-] ZINC000107870247 569353049 /nfs/dbraw/zinc/35/30/49/569353049.db2.gz NNNJKHXQSLORGO-WTKPLQERSA-N 0 0 405.237 5.947 40 5 HKBBRN CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1 ZINC000107880661 569353092 /nfs/dbraw/zinc/35/30/92/569353092.db2.gz OMMXZDDOQCJPRX-MDZDMXLPSA-N 0 0 414.845 5.693 40 5 HKBBRN Cc1ccc(-n2c(SCc3cccc([N+](=O)[O-])c3)nnc2-c2ccccc2)cc1C ZINC000107981307 569353223 /nfs/dbraw/zinc/35/32/23/569353223.db2.gz VHERXVVJOZCPQI-UHFFFAOYSA-N 0 0 416.506 5.752 40 5 HKBBRN O=[N+]([O-])/C=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000108011055 569353284 /nfs/dbraw/zinc/35/32/84/569353284.db2.gz WMXMFGWOUQSBMB-AATRIKPKSA-N 0 0 403.059 5.582 40 5 HKBBRN COc1cccc(/C=C\c2onc(C)c2[N+](=O)[O-])c1OCc1ccc(Cl)cc1 ZINC000108064941 569353388 /nfs/dbraw/zinc/35/33/88/569353388.db2.gz OAOLELGLLNKCDO-FLIBITNWSA-N 0 0 400.818 5.303 40 5 HKBBRN O=C(Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000108110153 569353389 /nfs/dbraw/zinc/35/33/89/569353389.db2.gz IALUGVYTLKDODH-UHFFFAOYSA-N 0 0 420.808 5.274 40 5 HKBBRN CCCCc1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000108202829 569353495 /nfs/dbraw/zinc/35/34/95/569353495.db2.gz DFOQZFNANKAZDP-UHFFFAOYSA-N 0 0 423.494 5.324 40 5 HKBBRN CC[C@@H](C)c1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000108252614 569353458 /nfs/dbraw/zinc/35/34/58/569353458.db2.gz HFSBSVURXDACDS-CQSZACIVSA-N 0 0 423.494 5.495 40 5 HKBBRN CC[C@H](C)c1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000108252617 569353502 /nfs/dbraw/zinc/35/35/02/569353502.db2.gz HFSBSVURXDACDS-AWEZNQCLSA-N 0 0 423.494 5.495 40 5 HKBBRN O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000108919435 569353624 /nfs/dbraw/zinc/35/36/24/569353624.db2.gz WDBKGKOZXWCYOI-UHFFFAOYSA-N 0 0 411.628 6.067 40 5 HKBBRN O=C(NC(=S)Nc1ccc2ccccc2c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000108986014 569353648 /nfs/dbraw/zinc/35/36/48/569353648.db2.gz XWJSNRXEHNEQPE-UHFFFAOYSA-N 0 0 417.446 5.135 40 5 HKBBRN Clc1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(Cl)nc3c2n1 ZINC000113836000 559181508 /nfs/dbraw/zinc/18/15/08/559181508.db2.gz ILQFTFBKMWFBPG-UHFFFAOYSA-N 0 0 401.296 7.424 40 5 HKBBRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc([N+](=O)[O-])cc1)[C@@H]2O ZINC000118916278 558842507 /nfs/dbraw/zinc/84/25/07/558842507.db2.gz CHCOIPAZGMXLFP-ALUNSLKMSA-N 0 0 423.553 5.273 40 5 HKBBRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc([N+](=O)[O-])cc1)[C@H]2O ZINC000118916279 558842528 /nfs/dbraw/zinc/84/25/28/558842528.db2.gz CHCOIPAZGMXLFP-MWTCWPBVSA-N 0 0 423.553 5.273 40 5 HKBBRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc([N+](=O)[O-])cc1)[C@H]2O ZINC000118916280 558842486 /nfs/dbraw/zinc/84/24/86/558842486.db2.gz CHCOIPAZGMXLFP-MTCCVVSYSA-N 0 0 423.553 5.273 40 5 HKBBRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H]([N+](=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118931339 558843015 /nfs/dbraw/zinc/84/30/15/558843015.db2.gz 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AUUGZMVWXIPRDU-OVCLIPMQSA-N 0 0 409.250 5.138 40 5 HKBBRN O=C1S/C(=C/c2ccccc2[N+](=O)[O-])C(=O)N1Cc1c(Cl)cccc1Cl ZINC000214713041 558263452 /nfs/dbraw/zinc/26/34/52/558263452.db2.gz XMECOCKJIUIPIF-OVCLIPMQSA-N 0 0 409.250 5.138 40 5 HKBBRN O=C1S/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000214767714 560853508 /nfs/dbraw/zinc/85/35/08/560853508.db2.gz RFBGKJSBIWIWDT-OVCLIPMQSA-N 0 0 409.250 5.138 40 5 HKBBRN O=C1S/C(=C/c2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000214768901 560853502 /nfs/dbraw/zinc/85/35/02/560853502.db2.gz ASJNEENPRQNFLM-OVCLIPMQSA-N 0 0 409.250 5.138 40 5 HKBBRN O=C1S/C(=C/c2ccc(Cl)cc2Cl)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000214908498 569294753 /nfs/dbraw/zinc/29/47/53/569294753.db2.gz FLXBXTHGIJRJET-VIZOYTHASA-N 0 0 409.250 5.138 40 5 HKBBRN CC(C)n1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)c2ccccc21 ZINC000214979465 569322659 /nfs/dbraw/zinc/32/26/59/569322659.db2.gz ZHTVGPNRTHXEJY-RGVLZGJSSA-N 0 0 421.478 5.367 40 5 HKBBRN O=C1S/C(=C/c2cccc(Cl)c2Cl)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000214994536 569323697 /nfs/dbraw/zinc/32/36/97/569323697.db2.gz NZPLIHRHZWKHFH-RIYZIHGNSA-N 0 0 409.250 5.138 40 5 HKBBRN CC[C@@H](C)Oc1ccccc1/C=C1/SC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O ZINC000215011046 569324651 /nfs/dbraw/zinc/32/46/51/569324651.db2.gz RRHJNKVQJYRAGT-ONDHQXCVSA-N 0 0 412.467 5.009 40 5 HKBBRN CC[C@H](C)Oc1ccccc1/C=C1/SC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O ZINC000215011093 569324659 /nfs/dbraw/zinc/32/46/59/569324659.db2.gz RRHJNKVQJYRAGT-BXUJETTOSA-N 0 0 412.467 5.009 40 5 HKBBRN O=C1S/C(=C/c2c(Cl)cccc2Cl)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000215017657 569324793 /nfs/dbraw/zinc/32/47/93/569324793.db2.gz HEZTYAJUGSZATQ-OVCLIPMQSA-N 0 0 409.250 5.138 40 5 HKBBRN O=C1S/C(=C/c2cccc(Cl)c2Cl)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000215252470 559078379 /nfs/dbraw/zinc/07/83/79/559078379.db2.gz YCQJBLFHGAZULE-RIYZIHGNSA-N 0 0 409.250 5.138 40 5 HKBBRN CC(C)n1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c2ccccc21 ZINC000215259698 569390112 /nfs/dbraw/zinc/39/01/12/569390112.db2.gz OCRVRHJYJXXWFX-RGVLZGJSSA-N 0 0 421.478 5.367 40 5 HKBBRN O=C1S/C(=C/c2c(Cl)cccc2Cl)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000215280263 569391103 /nfs/dbraw/zinc/39/11/03/569391103.db2.gz RVJKFUVQRUHUSJ-OVCLIPMQSA-N 0 0 409.250 5.138 40 5 HKBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(CN2CCc3ccccc32)cc1 ZINC000216344048 568823993 /nfs/dbraw/zinc/82/39/93/568823993.db2.gz NXGQGFPGILAYPG-UHFFFAOYSA-N 0 0 407.857 5.063 40 5 HKBBRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000216381742 568824378 /nfs/dbraw/zinc/82/43/78/568824378.db2.gz MTWIOBXBRGVJQP-UHFFFAOYSA-N 0 0 402.450 5.376 40 5 HKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(OCCSc2ccccc2)cc1 ZINC000216385280 568824282 /nfs/dbraw/zinc/82/42/82/568824282.db2.gz YXQYIBIUIKSREC-UHFFFAOYSA-N 0 0 408.479 5.327 40 5 HKBBRN Cc1ccc([C@@H](C)NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c(C)c1 ZINC000216452771 568825023 /nfs/dbraw/zinc/82/50/23/568825023.db2.gz ICORLJCFECAMBG-GXDFBKAQSA-N 0 0 400.478 5.630 40 5 HKBBRN Cc1ccc([C@H](C)NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c(C)c1 ZINC000216452814 568825037 /nfs/dbraw/zinc/82/50/37/568825037.db2.gz ICORLJCFECAMBG-JWGRYVKWSA-N 0 0 400.478 5.630 40 5 HKBBRN Cc1c(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cccc1[N+](=O)[O-] ZINC000216466087 568825062 /nfs/dbraw/zinc/82/50/62/568825062.db2.gz FJQSVAUWSRANPS-UHFFFAOYSA-N 0 0 401.466 5.108 40 5 HKBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000218047469 568924527 /nfs/dbraw/zinc/92/45/27/568924527.db2.gz QXEKLUYKXVLFMH-UHFFFAOYSA-N 0 0 406.507 5.057 40 5 HKBBRN Cc1ccc(SCc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2)cc1 ZINC000218206544 568928351 /nfs/dbraw/zinc/92/83/51/568928351.db2.gz MASFMXRSUVKDKE-UHFFFAOYSA-N 0 0 412.898 6.101 40 5 HKBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cc(Cl)ccc1OCc1ccccc1 ZINC000219767515 558784601 /nfs/dbraw/zinc/78/46/01/558784601.db2.gz WGHZLAZCVIVTKG-UHFFFAOYSA-N 0 0 417.248 5.733 40 5 HKBBRN O=C1S/C(=C/c2ccc(Cl)cc2Cl)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000222210068 568578374 /nfs/dbraw/zinc/57/83/74/568578374.db2.gz XKFDFEXROWTZSY-VIZOYTHASA-N 0 0 409.250 5.138 40 5 HKBBRN Cc1c(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)cccc1[N+](=O)[O-] ZINC000222629292 568765870 /nfs/dbraw/zinc/76/58/70/568765870.db2.gz JDIHPEBZIRSJKU-UHFFFAOYSA-N 0 0 417.852 6.024 40 5 HKBBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3c4ccccc4cc4ccccc43)N21 ZINC000222652500 568522306 /nfs/dbraw/zinc/52/23/06/568522306.db2.gz OMJMKZRTNLFTNS-BTZRARBUSA-N 0 0 409.558 6.367 40 5 HKBBRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3c4ccccc4cc4ccccc43)N21 ZINC000222652558 568522314 /nfs/dbraw/zinc/52/23/14/568522314.db2.gz OMJMKZRTNLFTNS-PNTFMKQHSA-N 0 0 409.558 6.367 40 5 HKBBRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3c4ccccc4cc4ccccc43)N21 ZINC000222652618 568522320 /nfs/dbraw/zinc/52/23/20/568522320.db2.gz OMJMKZRTNLFTNS-UKDVSSAZSA-N 0 0 409.558 6.367 40 5 HKBBRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3c4ccccc4cc4ccccc43)N21 ZINC000222652684 568522327 /nfs/dbraw/zinc/52/23/27/568522327.db2.gz OMJMKZRTNLFTNS-QTLGCAHFSA-N 0 0 409.558 6.367 40 5 HKBBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(-c4ccccc4[N+](=O)[O-])o3)N21 ZINC000222712144 568769576 /nfs/dbraw/zinc/76/95/76/568769576.db2.gz JQDGKLMCTYOLJR-PUCZYUMASA-N 0 0 420.494 5.229 40 5 HKBBRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(-c4ccccc4[N+](=O)[O-])o3)N21 ZINC000222712213 568769533 /nfs/dbraw/zinc/76/95/33/568769533.db2.gz JQDGKLMCTYOLJR-SZFUDVHCSA-N 0 0 420.494 5.229 40 5 HKBBRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(-c4ccccc4[N+](=O)[O-])o3)N21 ZINC000222712286 568769569 /nfs/dbraw/zinc/76/95/69/568769569.db2.gz JQDGKLMCTYOLJR-XMDBHEJHSA-N 0 0 420.494 5.229 40 5 HKBBRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(-c4ccccc4[N+](=O)[O-])o3)N21 ZINC000222712347 568769506 /nfs/dbraw/zinc/76/95/06/568769506.db2.gz JQDGKLMCTYOLJR-LVXYXVKQSA-N 0 0 420.494 5.229 40 5 HKBBRN O=C(NCc1ccc2ccccc2c1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000222749822 568770344 /nfs/dbraw/zinc/77/03/44/568770344.db2.gz DMRJGOYXCZIYBK-KOEQRZSOSA-N 0 0 408.457 5.605 40 5 HKBBRN O=C(NCc1cccc2ccccc21)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000222828575 568774720 /nfs/dbraw/zinc/77/47/20/568774720.db2.gz KHCFOWPQGXWMJU-KOEQRZSOSA-N 0 0 408.457 5.605 40 5 HKBBRN CC(C)(Cc1ccccc1)NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000222895472 568823265 /nfs/dbraw/zinc/82/32/65/568823265.db2.gz KQJRSQLRGMXNGI-HAVVHWLPSA-N 0 0 400.478 5.273 40 5 HKBBRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000222981878 568907784 /nfs/dbraw/zinc/90/77/84/568907784.db2.gz FGPVVICMQTUPNB-SFTDATJTSA-N 0 0 422.510 5.022 40 5 HKBBRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000222981937 568907771 /nfs/dbraw/zinc/90/77/71/568907771.db2.gz FGPVVICMQTUPNB-RTWAWAEBSA-N 0 0 422.510 5.022 40 5 HKBBRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000222981992 568907734 /nfs/dbraw/zinc/90/77/34/568907734.db2.gz FGPVVICMQTUPNB-LEWJYISDSA-N 0 0 422.510 5.022 40 5 HKBBRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000222982051 568907768 /nfs/dbraw/zinc/90/77/68/568907768.db2.gz FGPVVICMQTUPNB-NHCUHLMSSA-N 0 0 422.510 5.022 40 5 HKBBRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000222990328 568908771 /nfs/dbraw/zinc/90/87/71/568908771.db2.gz IPEUWRWKDBDLBS-SFTDATJTSA-N 0 0 422.510 5.022 40 5 HKBBRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000222990387 568908794 /nfs/dbraw/zinc/90/87/94/568908794.db2.gz IPEUWRWKDBDLBS-RTWAWAEBSA-N 0 0 422.510 5.022 40 5 HKBBRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000222990449 568908754 /nfs/dbraw/zinc/90/87/54/568908754.db2.gz IPEUWRWKDBDLBS-LEWJYISDSA-N 0 0 422.510 5.022 40 5 HKBBRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000222990520 568908871 /nfs/dbraw/zinc/90/88/71/568908871.db2.gz IPEUWRWKDBDLBS-NHCUHLMSSA-N 0 0 422.510 5.022 40 5 HKBBRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000222990601 568533505 /nfs/dbraw/zinc/53/35/05/568533505.db2.gz XMMOTNYVXPEIAM-SFTDATJTSA-N 0 0 422.510 5.022 40 5 HKBBRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000222990650 568908755 /nfs/dbraw/zinc/90/87/55/568908755.db2.gz XMMOTNYVXPEIAM-RTWAWAEBSA-N 0 0 422.510 5.022 40 5 HKBBRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000222990707 568908778 /nfs/dbraw/zinc/90/87/78/568908778.db2.gz XMMOTNYVXPEIAM-LEWJYISDSA-N 0 0 422.510 5.022 40 5 HKBBRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000222990763 568908807 /nfs/dbraw/zinc/90/88/07/568908807.db2.gz XMMOTNYVXPEIAM-NHCUHLMSSA-N 0 0 422.510 5.022 40 5 HKBBRN C[C@@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccc2c(c1)CCC2 ZINC000223154916 568916086 /nfs/dbraw/zinc/91/60/86/568916086.db2.gz HBNJKQNQYDXLNB-OAKZWBAKSA-N 0 0 412.489 5.502 40 5 HKBBRN C[C@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccc2c(c1)CCC2 ZINC000223154986 568916080 /nfs/dbraw/zinc/91/60/80/568916080.db2.gz HBNJKQNQYDXLNB-LEBHPONQSA-N 0 0 412.489 5.502 40 5 HKBBRN CCC1(CC)C[C@@H](NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c2ccccc2O1 ZINC000223262565 568933662 /nfs/dbraw/zinc/93/36/62/568933662.db2.gz OKUSAMPFKVFDRW-LJQANCHMSA-N 0 0 414.527 5.027 40 5 HKBBRN CCC1(CC)C[C@H](NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c2ccccc2O1 ZINC000223262633 568933711 /nfs/dbraw/zinc/93/37/11/568933711.db2.gz OKUSAMPFKVFDRW-IBGZPJMESA-N 0 0 414.527 5.027 40 5 HKBBRN COc1cc(C)c([C@@H](C)NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1C(C)C ZINC000223268647 568934121 /nfs/dbraw/zinc/93/41/21/568934121.db2.gz ZVFKUGHSKNXABJ-MRXNPFEDSA-N 0 0 416.543 5.146 40 5 HKBBRN COc1cc(C)c([C@H](C)NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1C(C)C ZINC000223268697 568934125 /nfs/dbraw/zinc/93/41/25/568934125.db2.gz ZVFKUGHSKNXABJ-INIZCTEOSA-N 0 0 416.543 5.146 40 5 HKBBRN Cc1cc(C)c([C@@H](C)NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1C ZINC000223400323 568999903 /nfs/dbraw/zinc/99/99/03/568999903.db2.gz DCLNNBJAPSBAEU-UVPCLOGWSA-N 0 0 414.505 5.938 40 5 HKBBRN Cc1cc(C)c([C@H](C)NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1C ZINC000223400380 569001226 /nfs/dbraw/zinc/00/12/26/569001226.db2.gz DCLNNBJAPSBAEU-KXWHUPIZSA-N 0 0 414.505 5.938 40 5 HKBBRN O=C(NCCc1ccc(Cl)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000223424562 569003890 /nfs/dbraw/zinc/00/38/90/569003890.db2.gz UQYMWRCBMWFKSB-CJLVFECKSA-N 0 0 406.869 5.148 40 5 HKBBRN O=C(Nc1ccc2c3c(cccc31)CC2)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000223426626 569003920 /nfs/dbraw/zinc/00/39/20/569003920.db2.gz AZYKCNFSKSNENH-JJIBRWJFSA-N 0 0 420.468 6.026 40 5 HKBBRN COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1ccccc1C ZINC000224104222 569052133 /nfs/dbraw/zinc/05/21/33/569052133.db2.gz XJFRGSBHWQAUSL-UHFFFAOYSA-N 0 0 406.438 5.052 40 5 HKBBRN COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1ccccc1C ZINC000224104291 569052131 /nfs/dbraw/zinc/05/21/31/569052131.db2.gz XCDSEQOSMMSXAA-UHFFFAOYSA-N 0 0 406.438 5.052 40 5 HKBBRN COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1cccc(C)c1 ZINC000224116226 569052235 /nfs/dbraw/zinc/05/22/35/569052235.db2.gz YCXIUECTJHVTCZ-UHFFFAOYSA-N 0 0 406.438 5.052 40 5 HKBBRN COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1cccc(C)c1 ZINC000224116308 569052244 /nfs/dbraw/zinc/05/22/44/569052244.db2.gz IGQSVRPGIPVLHW-UHFFFAOYSA-N 0 0 406.438 5.052 40 5 HKBBRN COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1ccc(C)cc1 ZINC000224128955 569052371 /nfs/dbraw/zinc/05/23/71/569052371.db2.gz YQMDQYZIUTZIBR-UHFFFAOYSA-N 0 0 406.438 5.052 40 5 HKBBRN COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1ccc(C)cc1 ZINC000224129035 569052358 /nfs/dbraw/zinc/05/23/58/569052358.db2.gz FERTUXMRZOEPON-UHFFFAOYSA-N 0 0 406.438 5.052 40 5 HKBBRN COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1ccccc1Cl ZINC000224136640 569052603 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5.360 40 5 HKBBRN COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1ccccc1C(C)C ZINC000224232476 569056502 /nfs/dbraw/zinc/05/65/02/569056502.db2.gz FIEPFAQCMXIZMM-UHFFFAOYSA-N 0 0 420.465 5.558 40 5 HKBBRN COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1cc(C)cc(C)c1C ZINC000224280301 569056823 /nfs/dbraw/zinc/05/68/23/569056823.db2.gz OPJWAZDWRZJIIY-UHFFFAOYSA-N 0 0 420.465 5.360 40 5 HKBBRN COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1ccc(C)c(C)c1 ZINC000224292786 569056896 /nfs/dbraw/zinc/05/68/96/569056896.db2.gz YKJFVFBTKWBSBB-UHFFFAOYSA-N 0 0 406.438 5.052 40 5 HKBBRN COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1ccc(C)c(C)c1 ZINC000224295630 569056905 /nfs/dbraw/zinc/05/69/05/569056905.db2.gz XDOONMRYRBTXRW-UHFFFAOYSA-N 0 0 420.465 5.360 40 5 HKBBRN COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1ccc(C)c(C)c1 ZINC000224295721 569056899 /nfs/dbraw/zinc/05/68/99/569056899.db2.gz RPELOVMQEMIHBF-UHFFFAOYSA-N 0 0 420.465 5.360 40 5 HKBBRN COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1CSc1ccccc1 ZINC000224330822 569058278 /nfs/dbraw/zinc/05/82/78/569058278.db2.gz HRNUJDUJNWMBQN-UHFFFAOYSA-N 0 0 408.479 5.456 40 5 HKBBRN COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1CSc1ccccc1 ZINC000224330897 569058289 /nfs/dbraw/zinc/05/82/89/569058289.db2.gz QTGQVAXAKFGCRX-UHFFFAOYSA-N 0 0 408.479 5.456 40 5 HKBBRN COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1CSc1ccc(C)cc1 ZINC000224339788 569058468 /nfs/dbraw/zinc/05/84/68/569058468.db2.gz DXBOVJMQUCKPCA-UHFFFAOYSA-N 0 0 408.479 5.456 40 5 HKBBRN COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1CSc1ccc(C)cc1 ZINC000224342337 569059397 /nfs/dbraw/zinc/05/93/97/569059397.db2.gz SYTHPXBYUFCVMP-UHFFFAOYSA-N 0 0 422.506 5.765 40 5 HKBBRN COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1CSc1ccc(C)cc1 ZINC000224342417 569059403 /nfs/dbraw/zinc/05/94/03/569059403.db2.gz YYNWSOHMDXOFBZ-UHFFFAOYSA-N 0 0 422.506 5.765 40 5 HKBBRN CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1ccccc1 ZINC000224367630 569059818 /nfs/dbraw/zinc/05/98/18/569059818.db2.gz CGGSQSMQRNPJBL-UHFFFAOYSA-N 0 0 406.438 5.133 40 5 HKBBRN CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1ccccc1 ZINC000224367691 569059835 /nfs/dbraw/zinc/05/98/35/569059835.db2.gz SZPKSKLATMNUSZ-UHFFFAOYSA-N 0 0 406.438 5.133 40 5 HKBBRN CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1ccccc1C ZINC000224375929 569059926 /nfs/dbraw/zinc/05/99/26/569059926.db2.gz IPIUFURYLAQVOI-UHFFFAOYSA-N 0 0 406.438 5.133 40 5 HKBBRN CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1ccccc1C ZINC000224378673 569059964 /nfs/dbraw/zinc/05/99/64/569059964.db2.gz UPRALDBOBMFAAX-UHFFFAOYSA-N 0 0 420.465 5.442 40 5 HKBBRN CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1ccccc1C ZINC000224378739 569059955 /nfs/dbraw/zinc/05/99/55/569059955.db2.gz LWSQLPPUGOHVCW-UHFFFAOYSA-N 0 0 420.465 5.442 40 5 HKBBRN CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1cccc(C)c1 ZINC000224386798 569060000 /nfs/dbraw/zinc/06/00/00/569060000.db2.gz GVLJVDUTVBPQGL-UHFFFAOYSA-N 0 0 406.438 5.133 40 5 HKBBRN CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1cccc(C)c1 ZINC000224389230 569060002 /nfs/dbraw/zinc/06/00/02/569060002.db2.gz FTADSPZVTLCYFM-UHFFFAOYSA-N 0 0 420.465 5.442 40 5 HKBBRN CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1cccc(C)c1 ZINC000224389297 569059992 /nfs/dbraw/zinc/05/99/92/569059992.db2.gz BYZMUFUHSMSFNO-UHFFFAOYSA-N 0 0 420.465 5.442 40 5 HKBBRN CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1ccc(C)cc1 ZINC000224469892 569061608 /nfs/dbraw/zinc/06/16/08/569061608.db2.gz IRYAKITWYHQJBF-UHFFFAOYSA-N 0 0 406.438 5.133 40 5 HKBBRN CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1ccc(C)cc1 ZINC000224472598 569061544 /nfs/dbraw/zinc/06/15/44/569061544.db2.gz IRQMRIPDSBZSRP-UHFFFAOYSA-N 0 0 420.465 5.442 40 5 HKBBRN CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1ccc(C)cc1 ZINC000224472664 569061606 /nfs/dbraw/zinc/06/16/06/569061606.db2.gz HTYCJAKQHYNUFW-UHFFFAOYSA-N 0 0 420.465 5.442 40 5 HKBBRN CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1cc(C)cc(C)c1 ZINC000224535067 569070346 /nfs/dbraw/zinc/07/03/46/569070346.db2.gz LBEVBTZIOSBXIB-UHFFFAOYSA-N 0 0 420.465 5.442 40 5 HKBBRN CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1ccc(C)c(C)c1 ZINC000224623459 569276480 /nfs/dbraw/zinc/27/64/80/569276480.db2.gz WTOBORNOUHZRQF-UHFFFAOYSA-N 0 0 420.465 5.442 40 5 HKBBRN CCc1ccc(CC)c(CNC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c1 ZINC000224639566 569277778 /nfs/dbraw/zinc/27/77/78/569277778.db2.gz SUQAPBIGCDHSCV-KOEQRZSOSA-N 0 0 414.505 5.577 40 5 HKBBRN CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1CSc1ccccc1 ZINC000224654468 569280025 /nfs/dbraw/zinc/28/00/25/569280025.db2.gz AADQSLRYTVJLIM-UHFFFAOYSA-N 0 0 408.479 5.538 40 5 HKBBRN CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1CSc1ccccc1 ZINC000224657021 569280279 /nfs/dbraw/zinc/28/02/79/569280279.db2.gz FUKWTOBJNODVET-UHFFFAOYSA-N 0 0 422.506 5.847 40 5 HKBBRN CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1CSc1ccccc1 ZINC000224657079 569280253 /nfs/dbraw/zinc/28/02/53/569280253.db2.gz ISFGOLVATBOTOL-UHFFFAOYSA-N 0 0 422.506 5.847 40 5 HKBBRN CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1CSc1ccc(C)cc1 ZINC000224665177 569280614 /nfs/dbraw/zinc/28/06/14/569280614.db2.gz FTVWQMFIMNVCBW-UHFFFAOYSA-N 0 0 422.506 5.847 40 5 HKBBRN CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COCc1ccccc1 ZINC000224752726 569287423 /nfs/dbraw/zinc/28/74/23/569287423.db2.gz LILGJQBGPLVUPE-UHFFFAOYSA-N 0 0 420.465 5.271 40 5 HKBBRN CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COCc1ccccc1 ZINC000224752785 569287427 /nfs/dbraw/zinc/28/74/27/569287427.db2.gz XTRJZMDTEQITCU-UHFFFAOYSA-N 0 0 420.465 5.271 40 5 HKBBRN O=C(Nc1ccc(N2CCCC2)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000224898638 569293718 /nfs/dbraw/zinc/29/37/18/569293718.db2.gz BQKODGZBQOLIII-HKOYGPOVSA-N 0 0 413.477 5.374 40 5 HKBBRN COc1cccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc([N+](=O)[O-])c3)o2)c1 ZINC000224902127 569293896 /nfs/dbraw/zinc/29/38/96/569293896.db2.gz MAOQLHBLECAZEG-UHFFFAOYSA-N 0 0 415.405 5.178 40 5 HKBBRN COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000224911458 569294757 /nfs/dbraw/zinc/29/47/57/569294757.db2.gz JGBBZXZSFXPBRG-UHFFFAOYSA-N 0 0 415.405 5.178 40 5 HKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 ZINC000224928248 569295538 /nfs/dbraw/zinc/29/55/38/569295538.db2.gz RQSYSVZMQVJKSW-UHFFFAOYSA-N 0 0 417.396 5.617 40 5 HKBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 ZINC000224962793 569312207 /nfs/dbraw/zinc/31/22/07/569312207.db2.gz ZHLHXZIFKDSNCV-UHFFFAOYSA-N 0 0 419.824 5.823 40 5 HKBBRN CC(=O)c1ccc(Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c([N+](=O)[O-])c1 ZINC000225209200 569374583 /nfs/dbraw/zinc/37/45/83/569374583.db2.gz NGFARUAFVRONQN-UHFFFAOYSA-N 0 0 403.463 6.126 40 5 HKBBRN CCc1ccc([C@@H](C)NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000225342323 569390604 /nfs/dbraw/zinc/39/06/04/569390604.db2.gz OJTAWLPMGSJKTJ-ZDSQJECRSA-N 0 0 400.478 5.575 40 5 HKBBRN CCc1ccc([C@H](C)NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000225342356 569390633 /nfs/dbraw/zinc/39/06/33/569390633.db2.gz OJTAWLPMGSJKTJ-KHCKMINHSA-N 0 0 400.478 5.575 40 5 HKBBRN O=C(Nc1ccc(OCc2ccccc2)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000225505983 569403639 /nfs/dbraw/zinc/40/36/39/569403639.db2.gz XSGVNZUIVMDFKO-UHFFFAOYSA-N 0 0 416.477 5.624 40 5 HKBBRN Cc1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)ccc1OC1CCCC1 ZINC000225507909 569403652 /nfs/dbraw/zinc/40/36/52/569403652.db2.gz JCWZZNBPRITWPC-UHFFFAOYSA-N 0 0 408.498 5.675 40 5 HKBBRN CCCCOc1c(C)cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1C ZINC000225508174 569403598 /nfs/dbraw/zinc/40/35/98/569403598.db2.gz XVTRDRCXQSSJDJ-UHFFFAOYSA-N 0 0 410.514 5.841 40 5 HKBBRN CC[C@@H](C)Oc1c(C)cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1C ZINC000225508219 568644654 /nfs/dbraw/zinc/64/46/54/568644654.db2.gz HVYYQQIWJKGQJI-GOSISDBHSA-N 0 0 410.514 5.839 40 5 HKBBRN CC[C@H](C)Oc1c(C)cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1C ZINC000225508255 568644625 /nfs/dbraw/zinc/64/46/25/568644625.db2.gz HVYYQQIWJKGQJI-SFHVURJKSA-N 0 0 410.514 5.839 40 5 HKBBRN Cc1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc(C)c1OCC(C)C ZINC000225508306 569403653 /nfs/dbraw/zinc/40/36/53/569403653.db2.gz XUZSDFLDWRXXCZ-UHFFFAOYSA-N 0 0 410.514 5.697 40 5 HKBBRN CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1Cl ZINC000225508697 568644621 /nfs/dbraw/zinc/64/46/21/568644621.db2.gz KUYNEGRGBGQWAA-UHFFFAOYSA-N 0 0 402.878 5.488 40 5 HKBBRN COc1ccccc1[C@@H](C)NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000225529563 568772056 /nfs/dbraw/zinc/77/20/56/568772056.db2.gz ZAPWLYDISLNGFQ-FIOICXDGSA-N 0 0 402.450 5.021 40 5 HKBBRN COc1ccccc1[C@H](C)NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000225529583 568724089 /nfs/dbraw/zinc/72/40/89/568724089.db2.gz ZAPWLYDISLNGFQ-JMMZKRSASA-N 0 0 402.450 5.021 40 5 HKBBRN O=C(Nc1ccc(OC2CCCC2)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000225536446 568772291 /nfs/dbraw/zinc/77/22/91/568772291.db2.gz OOJNNIIWFHJCBE-UHFFFAOYSA-N 0 0 408.498 5.757 40 5 HKBBRN CCCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C ZINC000225538036 568772304 /nfs/dbraw/zinc/77/23/04/568772304.db2.gz HCWSRPDQCFEDQK-UHFFFAOYSA-N 0 0 410.514 5.923 40 5 HKBBRN CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C ZINC000225538073 568772276 /nfs/dbraw/zinc/77/22/76/568772276.db2.gz CVJJPVDAPORIPN-GOSISDBHSA-N 0 0 410.514 5.921 40 5 HKBBRN CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C ZINC000225538101 568772280 /nfs/dbraw/zinc/77/22/80/568772280.db2.gz CVJJPVDAPORIPN-SFHVURJKSA-N 0 0 410.514 5.921 40 5 HKBBRN Cc1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)ccc1OCC(C)C ZINC000225538142 568772326 /nfs/dbraw/zinc/77/23/26/568772326.db2.gz PFVBEIILDGTTCJ-UHFFFAOYSA-N 0 0 410.514 5.779 40 5 HKBBRN Cc1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)ccc1OC1CCCC1 ZINC000225538189 568772297 /nfs/dbraw/zinc/77/22/97/568772297.db2.gz BFODYBIYHTUCOF-UHFFFAOYSA-N 0 0 422.525 6.065 40 5 HKBBRN CCCOc1c(C)cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C ZINC000225538375 568772346 /nfs/dbraw/zinc/77/23/46/568772346.db2.gz IXSKRCIIRQDYFF-UHFFFAOYSA-N 0 0 410.514 5.841 40 5 HKBBRN Cc1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc(C)c1OC(C)C ZINC000225538415 568772307 /nfs/dbraw/zinc/77/23/07/568772307.db2.gz MYYKYMWHXLKOAO-UHFFFAOYSA-N 0 0 410.514 5.839 40 5 HKBBRN CCCCOc1c(C)cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C ZINC000225538460 568772353 /nfs/dbraw/zinc/77/23/53/568772353.db2.gz KKSYMESURQTXDJ-UHFFFAOYSA-N 0 0 424.541 6.231 40 5 HKBBRN CC[C@@H](C)Oc1c(C)cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C ZINC000225538503 568648688 /nfs/dbraw/zinc/64/86/88/568648688.db2.gz BERRBOUSLSZXCM-LJQANCHMSA-N 0 0 424.541 6.230 40 5 HKBBRN CC[C@H](C)Oc1c(C)cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C ZINC000225538538 568648769 /nfs/dbraw/zinc/64/87/69/568648769.db2.gz BERRBOUSLSZXCM-IBGZPJMESA-N 0 0 424.541 6.230 40 5 HKBBRN Cc1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc(C)c1OCC(C)C ZINC000225538576 568772402 /nfs/dbraw/zinc/77/24/02/568772402.db2.gz IRTNHFVSUGGYQX-UHFFFAOYSA-N 0 0 424.541 6.087 40 5 HKBBRN CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1Cl ZINC000225538870 568772404 /nfs/dbraw/zinc/77/24/04/568772404.db2.gz GAVTZXRJNBUHRQ-UHFFFAOYSA-N 0 0 402.878 5.488 40 5 HKBBRN CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1Cl ZINC000225538918 568772285 /nfs/dbraw/zinc/77/22/85/568772285.db2.gz GAHXBLGXSZYYJN-UHFFFAOYSA-N 0 0 416.905 5.878 40 5 HKBBRN COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1C(F)(F)F ZINC000225676753 568725145 /nfs/dbraw/zinc/72/51/45/568725145.db2.gz AMUJZMKYRCCQRK-UHFFFAOYSA-N 0 0 408.376 5.073 40 5 HKBBRN CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1C(F)(F)F ZINC000225676795 568725393 /nfs/dbraw/zinc/72/53/93/568725393.db2.gz GXFUJXBJBRKLND-UHFFFAOYSA-N 0 0 422.403 5.463 40 5 HKBBRN CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)c2ccccc12 ZINC000225677688 568726084 /nfs/dbraw/zinc/72/60/84/568726084.db2.gz MPRLWNKSOXOSMY-UHFFFAOYSA-N 0 0 404.466 5.597 40 5 HKBBRN CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)c2ccccc12 ZINC000225677738 568726078 /nfs/dbraw/zinc/72/60/78/568726078.db2.gz RLBPHEKMZIISOX-UHFFFAOYSA-N 0 0 418.493 5.987 40 5 HKBBRN CC(C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)c2ccccc12 ZINC000225677775 568725877 /nfs/dbraw/zinc/72/58/77/568725877.db2.gz SNTSIGUOEIXPKG-UHFFFAOYSA-N 0 0 418.493 5.986 40 5 HKBBRN COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C(F)(F)F ZINC000225756685 524470290 /nfs/dbraw/zinc/47/02/90/524470290.db2.gz XRTXEDXNAQEYCY-UHFFFAOYSA-N 0 0 422.403 5.463 40 5 HKBBRN COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)c2ccccc12 ZINC000225757923 568780723 /nfs/dbraw/zinc/78/07/23/568780723.db2.gz ZWMPUWAPLQMTMB-UHFFFAOYSA-N 0 0 404.466 5.597 40 5 HKBBRN CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)c2ccccc12 ZINC000225757957 568780733 /nfs/dbraw/zinc/78/07/33/568780733.db2.gz MOBRGKAMMYVEJR-UHFFFAOYSA-N 0 0 418.493 5.987 40 5 HKBBRN CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)c2cccnc12 ZINC000225860199 568783592 /nfs/dbraw/zinc/78/35/92/568783592.db2.gz UWHMIMBPVBTVSA-UHFFFAOYSA-N 0 0 419.481 5.382 40 5 HKBBRN CC(C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)c2cccnc12 ZINC000225860225 519780518 /nfs/dbraw/zinc/78/05/18/519780518.db2.gz UGLJNNSPHBNPKS-UHFFFAOYSA-N 0 0 419.481 5.381 40 5 HKBBRN CCCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)c(C)n1 ZINC000225865887 568783488 /nfs/dbraw/zinc/78/34/88/568783488.db2.gz LSVBCVFMKKAQAR-UHFFFAOYSA-N 0 0 411.502 5.318 40 5 HKBBRN CCCCOc1ncc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C ZINC000225866048 568783601 /nfs/dbraw/zinc/78/36/01/568783601.db2.gz MWYYFMRCHDBOSG-UHFFFAOYSA-N 0 0 411.502 5.318 40 5 HKBBRN CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)c2cccnc12 ZINC000225866137 568783523 /nfs/dbraw/zinc/78/35/23/568783523.db2.gz KJSJQRFNRQHFLY-UHFFFAOYSA-N 0 0 419.481 5.382 40 5 HKBBRN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)C1(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000225991725 568784638 /nfs/dbraw/zinc/78/46/38/568784638.db2.gz MPEQMEQYDNMVRZ-UHFFFAOYSA-N 0 0 408.841 5.711 40 5 HKBBRN O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000225991803 568784449 /nfs/dbraw/zinc/78/44/49/568784449.db2.gz GSKUUWMDCDFABB-UHFFFAOYSA-N 0 0 420.852 5.150 40 5 HKBBRN CCc1cc(Br)cc(CC)c1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000226092708 569025639 /nfs/dbraw/zinc/02/56/39/569025639.db2.gz CYYCUQDJTVGTMT-UHFFFAOYSA-N 0 0 411.683 5.388 40 5 HKBBRN CCN(c1ccccc1)c1c(Br)cc([N+](=O)[O-])cc1Br ZINC000226316955 568805104 /nfs/dbraw/zinc/80/51/04/568805104.db2.gz XWKOFDUYIFLWQC-UHFFFAOYSA-N 0 0 400.070 5.278 40 5 HKBBRN Cc1c(C=O)c2ccccc2n1C(=O)c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000226767379 559273984 /nfs/dbraw/zinc/27/39/84/559273984.db2.gz LHMNLPAGHDWQLO-UHFFFAOYSA-N 0 0 408.797 5.272 40 5 HKBBRN Cc1c(C=O)c2ccccc2n1C(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000226769286 568823492 /nfs/dbraw/zinc/82/34/92/568823492.db2.gz JEFNSRUEVFIYNY-UHFFFAOYSA-N 0 0 408.797 5.272 40 5 HKBBRN O=[N+]([O-])c1cccc(CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)c1 ZINC000255935935 569396684 /nfs/dbraw/zinc/39/66/84/569396684.db2.gz BSGQEINLVXNXJI-UHFFFAOYSA-N 0 0 423.885 5.183 40 5 HKBBRN Cc1ccc(C2=N[C@]3(c4ccc([N+](=O)[O-])cc4)Sc4ccccc4N(C)C3=N2)cc1 ZINC000256055815 569396977 /nfs/dbraw/zinc/39/69/77/569396977.db2.gz VIPJKHFQJOWLLX-HSZRJFAPSA-N 0 0 414.490 5.157 40 5 HKBBRN Cc1ccc(C2=N[C@@]3(c4ccc([N+](=O)[O-])cc4)Sc4ccccc4N(C)C3=N2)cc1 ZINC000256055816 569396989 /nfs/dbraw/zinc/39/69/89/569396989.db2.gz VIPJKHFQJOWLLX-QHCPKHFHSA-N 0 0 414.490 5.157 40 5 HKBBRN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H]([N+](=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000257348828 559211073 /nfs/dbraw/zinc/21/10/73/559211073.db2.gz JFVDCZHPKBHYJV-BRKVWLPFSA-N 0 0 417.678 7.753 40 5 HKBBRN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H]([N+](=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000257348829 559211096 /nfs/dbraw/zinc/21/10/96/559211096.db2.gz JFVDCZHPKBHYJV-BTOKQOHLSA-N 0 0 417.678 7.753 40 5 HKBBRN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H]([N+](=O)[O-])CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000257348830 559211083 /nfs/dbraw/zinc/21/10/83/559211083.db2.gz JFVDCZHPKBHYJV-FKKBDONISA-N 0 0 417.678 7.753 40 5 HKBBRN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H]([N+](=O)[O-])CC[C@]4(C)[C@H]3CC[C@]21C ZINC000257348831 559211060 /nfs/dbraw/zinc/21/10/60/559211060.db2.gz JFVDCZHPKBHYJV-IXQAJTQVSA-N 0 0 417.678 7.753 40 5 HKBBRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(-c4ccccc4[N+](=O)[O-])o3)N21 ZINC000260766316 569409659 /nfs/dbraw/zinc/40/96/59/569409659.db2.gz JQDGKLMCTYOLJR-IFZYUDKTSA-N 0 0 420.494 5.229 40 5 HKBBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(-c4ccccc4[N+](=O)[O-])o3)N21 ZINC000260766322 569409685 /nfs/dbraw/zinc/40/96/85/569409685.db2.gz JQDGKLMCTYOLJR-OREJSRFESA-N 0 0 420.494 5.229 40 5 HKBBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3c4ccccc4cc4ccccc43)N21 ZINC000260774974 569379977 /nfs/dbraw/zinc/37/99/77/569379977.db2.gz OMJMKZRTNLFTNS-NGXZDTIWSA-N 0 0 409.558 6.367 40 5 HKBBRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3c4ccccc4cc4ccccc43)N21 ZINC000260774980 569379959 /nfs/dbraw/zinc/37/99/59/569379959.db2.gz OMJMKZRTNLFTNS-WVQWTBLQSA-N 0 0 409.558 6.367 40 5 HKBBRN CCCCC/C=C/C/C=C/C/C=C\C/C=C/CCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000299888578 568783986 /nfs/dbraw/zinc/78/39/86/568783986.db2.gz PBMVYDNBOIVHBO-BHVWNTRMSA-N 0 0 424.585 7.679 40 5 HKBBRN CCCCC/C=C/C/C=C/C/C=C/C/C=C\CCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000299888579 568783874 /nfs/dbraw/zinc/78/38/74/568783874.db2.gz PBMVYDNBOIVHBO-LIJGZOPESA-N 0 0 424.585 7.679 40 5 HKBBRN Cc1c(Nc2cc(Cl)nc(-c3cccc(C(F)(F)F)c3)n2)cccc1[N+](=O)[O-] ZINC000328973153 571305518 /nfs/dbraw/zinc/30/55/18/571305518.db2.gz DZLVKYXBLNDLQV-UHFFFAOYSA-N 0 0 408.767 5.776 40 5 HKBBRN Cc1c(Nc2cc(Cl)nc(-c3ccc(C(F)(F)F)cc3)n2)cccc1[N+](=O)[O-] ZINC000329008151 569423572 /nfs/dbraw/zinc/42/35/72/569423572.db2.gz LQJUCLBRRSJKPN-UHFFFAOYSA-N 0 0 408.767 5.198 40 5 HKBBRN O=[N+]([O-])c1cc(F)ccc1Nc1cc(Cl)nc(-c2cccc(C(F)(F)F)c2)n1 ZINC000329024488 569423798 /nfs/dbraw/zinc/42/37/98/569423798.db2.gz PAGOREBZKCATES-UHFFFAOYSA-N 0 0 412.730 5.607 40 5 HKBBRN O=[N+]([O-])c1cc(F)ccc1Nc1cc(Cl)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000329067671 569425028 /nfs/dbraw/zinc/42/50/28/569425028.db2.gz YKBYQPKXDBPJNR-UHFFFAOYSA-N 0 0 412.730 5.029 40 5 HKBBRN O=[N+]([O-])c1ccc(Cl)cc1Nc1cc(-c2ccccc2)nc(NC2CCCCC2)n1 ZINC000329070267 569425051 /nfs/dbraw/zinc/42/50/51/569425051.db2.gz ZFQOLVBOMDSPLX-UHFFFAOYSA-N 0 0 423.904 5.037 40 5 HKBBRN O=C(Oc1ccc(-c2ccc(Oc3ccccc3)cc2)nn1)c1ccc([N+](=O)[O-])cc1 ZINC000408527666 559215064 /nfs/dbraw/zinc/21/50/64/559215064.db2.gz GXHJJPWQWDQWRW-UHFFFAOYSA-N 0 0 413.389 5.063 40 5 HKBBRN O=C(Oc1ccc(-c2ccc(Oc3ccccc3)cc2)nn1)c1ccccc1[N+](=O)[O-] ZINC000408530754 558471478 /nfs/dbraw/zinc/47/14/78/558471478.db2.gz RIDPDOKLYOMOSM-UHFFFAOYSA-N 0 0 413.389 5.063 40 5 HKBBRN O=C(Oc1ccc(-c2ccc(Oc3ccccc3)cc2)nn1)c1cccc([N+](=O)[O-])c1 ZINC000408531472 558471690 /nfs/dbraw/zinc/47/16/90/558471690.db2.gz UDKNOADSKWYQFN-UHFFFAOYSA-N 0 0 413.389 5.063 40 5 HKBBRN Cc1noc(/C=C\c2ccc(OCC(=O)Nc3ccccc3C(C)C)cc2)c1[N+](=O)[O-] ZINC000408541840 558485723 /nfs/dbraw/zinc/48/57/23/558485723.db2.gz GDTRWEWSFNEKEX-RAXLEYEMSA-N 0 0 421.453 5.203 40 5 HKBBRN Cc1noc(/C=C/c2cn(Cc3ccc(F)cc3Cl)c3ccccc23)c1[N+](=O)[O-] ZINC000408541848 558485754 /nfs/dbraw/zinc/48/57/54/558485754.db2.gz GFBDKYKESPGSLY-VQHVLOKHSA-N 0 0 411.820 5.857 40 5 HKBBRN CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OCc1ccccc1Cl ZINC000408541944 558486253 /nfs/dbraw/zinc/48/62/53/558486253.db2.gz GSJMUEHBLIZKDR-LUAWRHEFSA-N 0 0 414.845 5.693 40 5 HKBBRN Cc1noc(/C=C/c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)c1[N+](=O)[O-] ZINC000408542155 558487127 /nfs/dbraw/zinc/48/71/27/558487127.db2.gz HOQGOGBAORRBKH-KRXBUXKQSA-N 0 0 417.830 5.774 40 5 HKBBRN Cc1noc(/C=C\c2cn(Cc3c(F)cccc3Cl)c3ccccc23)c1[N+](=O)[O-] ZINC000408542762 558487957 /nfs/dbraw/zinc/48/79/57/558487957.db2.gz KZWKIXAWEUOJLG-KTKRTIGZSA-N 0 0 411.820 5.857 40 5 HKBBRN Cc1noc(/C=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)c1[N+](=O)[O-] ZINC000408543212 558490212 /nfs/dbraw/zinc/49/02/12/558490212.db2.gz NQYFTSZJXWMLBI-OUKQBFOZSA-N 0 0 409.445 6.218 40 5 HKBBRN COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OCc1ccccc1Cl ZINC000408544025 559217176 /nfs/dbraw/zinc/21/71/76/559217176.db2.gz RKGJEGWBHWVNAV-NTMALXAHSA-N 0 0 400.818 5.303 40 5 HKBBRN CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C\c1onc(C)c1[N+](=O)[O-] ZINC000408544350 558491868 /nfs/dbraw/zinc/49/18/68/558491868.db2.gz SMBVIWISLCOFRO-XQRVVYSFSA-N 0 0 408.498 5.928 40 5 HKBBRN Cc1noc(/C=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)c1[N+](=O)[O-] ZINC000408544576 559217061 /nfs/dbraw/zinc/21/70/61/559217061.db2.gz UYBSLMWWMHOUSX-VAWYXSNFSA-N 0 0 407.857 6.026 40 5 HKBBRN CCOC(=O)c1cc(-c2ccc(/C=C\c3onc(C)c3[N+](=O)[O-])o2)ccc1Cl ZINC000408544811 557363095 /nfs/dbraw/zinc/36/30/95/557363095.db2.gz VHMMLQOBWOCBOW-TWGQIWQCSA-N 0 0 402.790 5.152 40 5 HKBBRN Cc1noc(/C=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)c1[N+](=O)[O-] ZINC000408544836 558491864 /nfs/dbraw/zinc/49/18/64/558491864.db2.gz VLZJDCVXHONTPJ-YVMONPNESA-N 0 0 405.237 5.947 40 5 HKBBRN Cc1noc(/C=C/c2cc(Br)ccc2OCc2ccccc2)c1[N+](=O)[O-] ZINC000408544878 558491949 /nfs/dbraw/zinc/49/19/49/558491949.db2.gz VUFASONSVCUPIJ-VQHVLOKHSA-N 0 0 415.243 5.403 40 5 HKBBRN O=C(CSc1cccc2ccccc21)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000408545210 558489659 /nfs/dbraw/zinc/48/96/59/558489659.db2.gz ZRQYGELHHCJFPB-UHFFFAOYSA-N 0 0 407.278 5.786 40 5 HKBBRN Cc1noc(C=Cc2c(OCc3ccc(Cl)cc3)ccc3ccccc32)c1[N+](=O)[O-] ZINC000408545301 558489927 /nfs/dbraw/zinc/48/99/27/558489927.db2.gz XNDNHLJHSUXJRP-QBFSEMIESA-N 0 0 420.852 6.447 40 5 HKBBRN COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1 ZINC000408545578 558490285 /nfs/dbraw/zinc/49/02/85/558490285.db2.gz ZZONKFCBYJCAHD-CMDGGOBGSA-N 0 0 400.818 5.303 40 5 HKBBRN O=[N+]([O-])c1ccc(COc2ccc(CNc3cccc([N+](=O)[O-])c3)cc2Cl)cc1 ZINC000408553470 558498837 /nfs/dbraw/zinc/49/88/37/558498837.db2.gz ADKPRZAXFPVZSO-UHFFFAOYSA-N 0 0 413.817 5.348 40 5 HKBBRN CCCOc1cc(Br)c(CNc2cccc([N+](=O)[O-])c2)cc1OCC ZINC000408553482 558499030 /nfs/dbraw/zinc/49/90/30/558499030.db2.gz AFJCGMAYSXLUOW-UHFFFAOYSA-N 0 0 409.280 5.157 40 5 HKBBRN O=[N+]([O-])c1cccc(NCc2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)c1 ZINC000408553520 558499252 /nfs/dbraw/zinc/49/92/52/558499252.db2.gz AEWHNMIFYLZWBY-UHFFFAOYSA-N 0 0 421.255 6.232 40 5 HKBBRN O=[N+]([O-])c1cccc(NCc2ccccc2OCc2ccc(Br)cc2)c1 ZINC000408553536 558499171 /nfs/dbraw/zinc/49/91/71/558499171.db2.gz AKTJPVRIIFQWNB-UHFFFAOYSA-N 0 0 413.271 5.548 40 5 HKBBRN O=[N+]([O-])c1cccc(NCc2ccc(OCc3cccc4ccccc43)c(Cl)c2)c1 ZINC000408553564 558499243 /nfs/dbraw/zinc/49/92/43/558499243.db2.gz AHRYMFSUHKZKKQ-UHFFFAOYSA-N 0 0 418.880 6.593 40 5 HKBBRN O=[N+]([O-])c1cccc(NCc2cccc(OCc3ccc(Br)cc3)c2)c1 ZINC000408553614 557437525 /nfs/dbraw/zinc/43/75/25/557437525.db2.gz AYYFFKWOUHRISX-UHFFFAOYSA-N 0 0 413.271 5.548 40 5 HKBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCc1cccc(Cl)c1 ZINC000408553722 558499454 /nfs/dbraw/zinc/49/94/54/558499454.db2.gz AZYJYXCDXMCVKU-UHFFFAOYSA-N 0 0 412.873 5.838 40 5 HKBBRN O=[N+]([O-])c1cccc(NCc2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)c1 ZINC000408554231 559218119 /nfs/dbraw/zinc/21/81/19/559218119.db2.gz CMDCPBXLRLFITL-UHFFFAOYSA-N 0 0 421.255 6.232 40 5 HKBBRN CCOc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(C)cc1 ZINC000408554255 557443200 /nfs/dbraw/zinc/44/32/00/557443200.db2.gz RAXFKLRIPHUTLM-UHFFFAOYSA-N 0 0 406.438 5.133 40 5 HKBBRN O=[N+]([O-])c1cccc(NCc2c(OCc3ccccc3F)ccc3ccccc32)c1 ZINC000408554839 559217274 /nfs/dbraw/zinc/21/72/74/559217274.db2.gz DMHQBIWTFJLLBG-UHFFFAOYSA-N 0 0 402.425 6.078 40 5 HKBBRN O=[N+]([O-])c1cccc(NCc2c(OCc3ccc(F)cc3)ccc3ccccc32)c1 ZINC000408554903 558500613 /nfs/dbraw/zinc/50/06/13/558500613.db2.gz GDPVSSYWYGFCBG-UHFFFAOYSA-N 0 0 402.425 6.078 40 5 HKBBRN O=[N+]([O-])c1cccc(NCc2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)c1 ZINC000408555454 558501922 /nfs/dbraw/zinc/50/19/22/558501922.db2.gz FYMZXYIYVCINNN-UHFFFAOYSA-N 0 0 421.255 6.232 40 5 HKBBRN O=[N+]([O-])c1cccc(NCc2ccc(OCc3ccc(Br)cc3)cc2)c1 ZINC000408555569 559217279 /nfs/dbraw/zinc/21/72/79/559217279.db2.gz HFZNISRYZTXPBT-UHFFFAOYSA-N 0 0 413.271 5.548 40 5 HKBBRN CCCOc1c(Br)cc(CNc2cccc([N+](=O)[O-])c2)cc1OCC ZINC000408555571 558502187 /nfs/dbraw/zinc/50/21/87/558502187.db2.gz GJFRWESFUOOYGV-UHFFFAOYSA-N 0 0 409.280 5.157 40 5 HKBBRN O=[N+]([O-])c1cccc(NCc2c(OCc3ccc(Cl)cc3)ccc3ccccc32)c1 ZINC000408555585 559218001 /nfs/dbraw/zinc/21/80/01/559218001.db2.gz HHIUHCMFZWLWGK-UHFFFAOYSA-N 0 0 418.880 6.593 40 5 HKBBRN O=[N+]([O-])c1cccc(NCc2cc(Br)ccc2OCc2ccccc2)c1 ZINC000408555638 559218066 /nfs/dbraw/zinc/21/80/66/559218066.db2.gz HMLLPIFMSIABSR-UHFFFAOYSA-N 0 0 413.271 5.548 40 5 HKBBRN COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408555644 558502212 /nfs/dbraw/zinc/50/22/12/558502212.db2.gz HOPMFISZYDVANZ-UHFFFAOYSA-N 0 0 416.836 5.587 40 5 HKBBRN COc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCc1cccc2ccccc21 ZINC000408555663 558502531 /nfs/dbraw/zinc/50/25/31/558502531.db2.gz GZPQVUVBSFHNSB-UHFFFAOYSA-N 0 0 414.461 5.948 40 5 HKBBRN O=[N+]([O-])c1cccc(NCc2c(OCc3cccc(F)c3)ccc3ccccc32)c1 ZINC000408555717 558502547 /nfs/dbraw/zinc/50/25/47/558502547.db2.gz HJRGSMBXPPKTLA-UHFFFAOYSA-N 0 0 402.425 6.078 40 5 HKBBRN O=[N+]([O-])c1cccc(NCc2ccc(OCc3ccccc3)c(Br)c2)c1 ZINC000408555747 558502484 /nfs/dbraw/zinc/50/24/84/558502484.db2.gz IFQBIJIIAMBIMK-UHFFFAOYSA-N 0 0 413.271 5.548 40 5 HKBBRN O=[N+]([O-])c1cccc(NCc2cccc(OCc3ccc(Cl)cc3Cl)c2)c1 ZINC000408556130 558502565 /nfs/dbraw/zinc/50/25/65/558502565.db2.gz HWXQIZIHBVICLF-UHFFFAOYSA-N 0 0 403.265 6.093 40 5 HKBBRN O=[N+]([O-])c1cccc(NCc2cc(Cl)c(OCc3ccccc3)c(Cl)c2)c1 ZINC000408556145 559218197 /nfs/dbraw/zinc/21/81/97/559218197.db2.gz ITWDROMZYQOKFZ-UHFFFAOYSA-N 0 0 403.265 6.093 40 5 HKBBRN O=[N+]([O-])c1cccc(NCc2cc(Cl)ccc2OCc2ccc(Cl)cc2)c1 ZINC000408556296 558502708 /nfs/dbraw/zinc/50/27/08/558502708.db2.gz JLIXSVVAWYHLLW-UHFFFAOYSA-N 0 0 403.265 6.093 40 5 HKBBRN O=Cc1cc([N+](=O)[O-])ccc1Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000408556323 559217260 /nfs/dbraw/zinc/21/72/60/559217260.db2.gz JPVLRLSSGIUFNC-UHFFFAOYSA-N 0 0 414.446 5.078 40 5 HKBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OC(C)C ZINC000408556352 558502755 /nfs/dbraw/zinc/50/27/55/558502755.db2.gz JUDKQULQIZFBDL-UHFFFAOYSA-N 0 0 409.280 5.155 40 5 HKBBRN O=[N+]([O-])c1ccc(COc2ccc(Cl)cc2CNc2cccc([N+](=O)[O-])c2)cc1 ZINC000408556370 558502813 /nfs/dbraw/zinc/50/28/13/558502813.db2.gz JZZLRDCNRREEDX-UHFFFAOYSA-N 0 0 413.817 5.348 40 5 HKBBRN COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1cccc(F)c1 ZINC000408556544 558502794 /nfs/dbraw/zinc/50/27/94/558502794.db2.gz JHRPKOFHBFCMHJ-UHFFFAOYSA-N 0 0 416.836 5.587 40 5 HKBBRN O=[N+]([O-])c1cccc(NCc2ccccc2OCc2ccc(Cl)cc2Cl)c1 ZINC000408556573 559217314 /nfs/dbraw/zinc/21/73/14/559217314.db2.gz JOUXBJPEYQEMSS-UHFFFAOYSA-N 0 0 403.265 6.093 40 5 HKBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1 ZINC000408556670 558502695 /nfs/dbraw/zinc/50/26/95/558502695.db2.gz LBPMAYMDVIYUOQ-UHFFFAOYSA-N 0 0 412.873 5.838 40 5 HKBBRN O=[N+]([O-])c1cccc(NCc2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 ZINC000408556977 559218008 /nfs/dbraw/zinc/21/80/08/559218008.db2.gz LHZLARBTJQXWLO-UHFFFAOYSA-N 0 0 403.265 6.093 40 5 HKBBRN O=[N+]([O-])c1cccc(NCc2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)c1 ZINC000408557009 557453764 /nfs/dbraw/zinc/45/37/64/557453764.db2.gz MLCMZSZGTJGNDF-UHFFFAOYSA-N 0 0 403.265 6.093 40 5 HKBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408557207 558502725 /nfs/dbraw/zinc/50/27/25/558502725.db2.gz NQMBRYWTARPLFY-UHFFFAOYSA-N 0 0 423.425 5.093 40 5 HKBBRN Cc1ccc(COc2c(Cl)cc(CNc3cccc([N+](=O)[O-])c3)cc2Cl)cc1 ZINC000408557591 559218181 /nfs/dbraw/zinc/21/81/81/559218181.db2.gz PBOPDVIDOVDATN-UHFFFAOYSA-N 0 0 417.292 6.401 40 5 HKBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)cc1 ZINC000408557631 558502926 /nfs/dbraw/zinc/50/29/26/558502926.db2.gz PVQBFRNQANBLOK-UHFFFAOYSA-N 0 0 412.873 5.838 40 5 HKBBRN O=[N+]([O-])c1cccc(NCc2ccc(OCc3ccccc3Cl)c(Cl)c2)c1 ZINC000408558219 558503280 /nfs/dbraw/zinc/50/32/80/558503280.db2.gz QLIJOIJDMQAHSG-UHFFFAOYSA-N 0 0 403.265 6.093 40 5 HKBBRN COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408558400 558503423 /nfs/dbraw/zinc/50/34/23/558503423.db2.gz UKNNNZXYXSLVBN-UHFFFAOYSA-N 0 0 412.873 5.756 40 5 HKBBRN O=[N+]([O-])c1cccc(NCc2c(OCc3ccccc3Cl)ccc3ccccc32)c1 ZINC000408558495 559218067 /nfs/dbraw/zinc/21/80/67/559218067.db2.gz ROLJGCWGIPTEQT-UHFFFAOYSA-N 0 0 418.880 6.593 40 5 HKBBRN O=[N+]([O-])c1cccc(NCc2ccc(OCc3cccc(Cl)c3)c(Cl)c2)c1 ZINC000408558630 559218050 /nfs/dbraw/zinc/21/80/50/559218050.db2.gz SABDIYVMGNVRJZ-UHFFFAOYSA-N 0 0 403.265 6.093 40 5 HKBBRN O=[N+]([O-])c1cccc(NCc2cc(Cl)ccc2OCc2cccc3ccccc32)c1 ZINC000408558669 558503470 /nfs/dbraw/zinc/50/34/70/558503470.db2.gz SCZAPFMQTRNFLR-UHFFFAOYSA-N 0 0 418.880 6.593 40 5 HKBBRN O=Cc1ccc(Sc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000408559411 558503730 /nfs/dbraw/zinc/50/37/30/558503730.db2.gz ZRLLIESMPGMYHA-UHFFFAOYSA-N 0 0 414.446 5.078 40 5 HKBBRN CCc1s/c(=N\C(=O)c2ccccc2[N+](=O)[O-])n(CC)c1-c1ccc(Cl)cc1 ZINC000408559612 558503670 /nfs/dbraw/zinc/50/36/70/558503670.db2.gz ABGWBUHAGJZCLI-XDOYNYLZSA-N 0 0 415.902 5.102 40 5 HKBBRN CCn1c(-c2ccc(C)cc2)c(C)s/c1=N\C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000408559693 558503602 /nfs/dbraw/zinc/50/36/02/558503602.db2.gz BFSCYKDNRMPONW-XDOYNYLZSA-N 0 0 415.902 5.156 40 5 HKBBRN COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1F ZINC000408560239 558504410 /nfs/dbraw/zinc/50/44/10/558504410.db2.gz XTHJJARXEFEJTI-UHFFFAOYSA-N 0 0 416.836 5.587 40 5 HKBBRN O=[N+]([O-])c1cccc(NCc2cc(Cl)ccc2OCc2cccc(Cl)c2)c1 ZINC000408560280 558504402 /nfs/dbraw/zinc/50/44/02/558504402.db2.gz YKTQTBPCAOHCOO-UHFFFAOYSA-N 0 0 403.265 6.093 40 5 HKBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1Cl ZINC000408560377 558504346 /nfs/dbraw/zinc/50/43/46/558504346.db2.gz YYZZYYDOUADEAG-UHFFFAOYSA-N 0 0 412.873 5.838 40 5 HKBBRN O=[N+]([O-])c1cccc(NCc2cc(Cl)ccc2OCc2ccccc2Cl)c1 ZINC000408560391 558504447 /nfs/dbraw/zinc/50/44/47/558504447.db2.gz ZBLPUWUBQYTKON-UHFFFAOYSA-N 0 0 403.265 6.093 40 5 HKBBRN CCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])ccc2Cl)n(CC)c1-c1ccccc1 ZINC000408560479 559218058 /nfs/dbraw/zinc/21/80/58/559218058.db2.gz CVRRVJDWOYQHSD-XDOYNYLZSA-N 0 0 415.902 5.102 40 5 HKBBRN CCCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2)n(CC)c1-c1ccc(C)cc1 ZINC000408560487 559217269 /nfs/dbraw/zinc/21/72/69/559217269.db2.gz CWFWVONIYYKHGN-FCQUAONHSA-N 0 0 409.511 5.147 40 5 HKBBRN CCc1s/c(=N\C(=O)c2cccc([N+](=O)[O-])c2)n(CC)c1-c1ccc(Cl)cc1 ZINC000408561098 558504899 /nfs/dbraw/zinc/50/48/99/558504899.db2.gz GOJCHWBYRWXAOG-XDOYNYLZSA-N 0 0 415.902 5.102 40 5 HKBBRN CCCc1s/c(=N\C(=O)c2cccc([N+](=O)[O-])c2)n(CC)c1-c1ccc(C)cc1 ZINC000408561312 558504794 /nfs/dbraw/zinc/50/47/94/558504794.db2.gz HQGJDHMNZLVNFF-FCQUAONHSA-N 0 0 409.511 5.147 40 5 HKBBRN CCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2)n(CC)c1-c1ccc(Cl)cc1 ZINC000408561924 558505209 /nfs/dbraw/zinc/50/52/09/558505209.db2.gz LQJCKRLDFAYGQN-XDOYNYLZSA-N 0 0 415.902 5.102 40 5 HKBBRN CCCc1s/c(=N\C(=O)c2ccccc2[N+](=O)[O-])n(CC)c1-c1ccc(C)cc1 ZINC000408561937 558505251 /nfs/dbraw/zinc/50/52/51/558505251.db2.gz LVJPUKBSBLSVOI-FCQUAONHSA-N 0 0 409.511 5.147 40 5 HKBBRN CCCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2)n(CC)c1-c1ccc(C)c(C)c1 ZINC000408561968 558505221 /nfs/dbraw/zinc/50/52/21/558505221.db2.gz MEWZYSLFXWJXLY-VHXPQNKSSA-N 0 0 423.538 5.455 40 5 HKBBRN CCc1s/c(=N\C(=O)c2cccc([N+](=O)[O-])c2)n(CC)c1-c1ccc(C)c(C)c1 ZINC000408562061 558505225 /nfs/dbraw/zinc/50/52/25/558505225.db2.gz MOYIOSKWMOVCRW-FCQUAONHSA-N 0 0 409.511 5.065 40 5 HKBBRN CCCc1s/c(=N\C(=O)c2ccccc2[N+](=O)[O-])n(CC)c1-c1ccc(C)c(C)c1 ZINC000408562255 559218467 /nfs/dbraw/zinc/21/84/67/559218467.db2.gz OKTPJPCGKPPUDI-VHXPQNKSSA-N 0 0 423.538 5.455 40 5 HKBBRN CCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2Cl)n(CC)c1-c1ccccc1 ZINC000408562381 558505496 /nfs/dbraw/zinc/50/54/96/558505496.db2.gz PFRBEEFDFKBFCF-XDOYNYLZSA-N 0 0 415.902 5.102 40 5 HKBBRN CCCc1s/c(=N\C(=O)c2cccc([N+](=O)[O-])c2)n(CC)c1-c1ccc(C)c(C)c1 ZINC000408562465 559218581 /nfs/dbraw/zinc/21/85/81/559218581.db2.gz PUXIRHIGJSRZHY-VHXPQNKSSA-N 0 0 423.538 5.455 40 5 HKBBRN CCc1s/c(=N\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n(CC)c1-c1ccccc1 ZINC000408562504 558505527 /nfs/dbraw/zinc/50/55/27/558505527.db2.gz QJDNCUZMNFGFDU-XDOYNYLZSA-N 0 0 415.902 5.102 40 5 HKBBRN O=C(NCCSCc1c(Cl)cccc1Cl)c1cc([N+](=O)[O-])ccc1Cl ZINC000408562810 557461825 /nfs/dbraw/zinc/46/18/25/557461825.db2.gz CZENPXVMBGJOKC-UHFFFAOYSA-N 0 0 419.717 5.218 40 5 HKBBRN CCc1s/c(=N\C(=O)c2ccccc2[N+](=O)[O-])n(CC)c1-c1ccc(C)c(C)c1 ZINC000408563186 558505986 /nfs/dbraw/zinc/50/59/86/558505986.db2.gz UTOBDLLJQTWJDK-FCQUAONHSA-N 0 0 409.511 5.065 40 5 HKBBRN CC(C)Oc1cccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c1 ZINC000408563282 558505972 /nfs/dbraw/zinc/50/59/72/558505972.db2.gz KYUHPDMFYCJRHO-HZHRSRAPSA-N 0 0 402.450 5.561 40 5 HKBBRN CCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2)n(CC)c1-c1ccc(C)c(C)c1 ZINC000408563414 559218640 /nfs/dbraw/zinc/21/86/40/559218640.db2.gz VSLIOLLEYJJMJX-FCQUAONHSA-N 0 0 409.511 5.065 40 5 HKBBRN Cc1cc(CSc2ccccc2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000408563808 558504173 /nfs/dbraw/zinc/50/41/73/558504173.db2.gz QXVJYEQBXWQYJW-UHFFFAOYSA-N 0 0 412.898 6.101 40 5 HKBBRN CCn1c(-c2ccc(C)cc2)c(C)s/c1=N\C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000408564462 558504182 /nfs/dbraw/zinc/50/41/82/558504182.db2.gz YLUNTOSZJBFZBF-XDOYNYLZSA-N 0 0 415.902 5.156 40 5 HKBBRN CCn1c(-c2ccc(C)cc2)c(C)s/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000408564561 558505001 /nfs/dbraw/zinc/50/50/01/558505001.db2.gz ZOVPZEUCWGZQIU-XDOYNYLZSA-N 0 0 415.902 5.156 40 5 HKBBRN O=C(NCCSCc1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])ccc1Cl ZINC000408564565 558505005 /nfs/dbraw/zinc/50/50/05/558505005.db2.gz WRULFUDRNMSZLG-UHFFFAOYSA-N 0 0 419.717 5.218 40 5 HKBBRN O=C(NCCSCc1c(Cl)cccc1Cl)c1ccc([N+](=O)[O-])cc1Cl ZINC000408564569 558505042 /nfs/dbraw/zinc/50/50/42/558505042.db2.gz WUMODOONLGUMDD-UHFFFAOYSA-N 0 0 419.717 5.218 40 5 HKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cccc3ccccc32)n1-c1ccc(C)cc1 ZINC000408564836 558506358 /nfs/dbraw/zinc/50/63/58/558506358.db2.gz ANJZKCMELICVPM-NRFANRHFSA-N 0 0 404.495 5.147 40 5 HKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cccc3ccccc32)n1-c1ccc(C)cc1 ZINC000408564839 558506303 /nfs/dbraw/zinc/50/63/03/558506303.db2.gz ANJZKCMELICVPM-OAQYLSRUSA-N 0 0 404.495 5.147 40 5 HKBBRN O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1ccc(OCc2ccccc2F)c(Cl)c1 ZINC000408565074 558506374 /nfs/dbraw/zinc/50/63/74/558506374.db2.gz BCTPMJSEQXAOSP-IBGZPJMESA-N 0 0 424.859 5.948 40 5 HKBBRN O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1ccc(OCc2ccccc2F)c(Cl)c1 ZINC000408565076 558506315 /nfs/dbraw/zinc/50/63/15/558506315.db2.gz BCTPMJSEQXAOSP-LJQANCHMSA-N 0 0 424.859 5.948 40 5 HKBBRN O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1ccc(OCc2cccc3ccccc32)cc1 ZINC000408565544 558506823 /nfs/dbraw/zinc/50/68/23/558506823.db2.gz CGSXRDWDZVJNJH-AREMUKBSSA-N 0 0 422.484 6.309 40 5 HKBBRN O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1ccc(OCc2cccc3ccccc32)cc1 ZINC000408565545 559218582 /nfs/dbraw/zinc/21/85/82/559218582.db2.gz CGSXRDWDZVJNJH-SANMLTNESA-N 0 0 422.484 6.309 40 5 HKBBRN COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1ccccc1F ZINC000408565897 558506874 /nfs/dbraw/zinc/50/68/74/558506874.db2.gz DDKNOXHYBUGXHX-FQEVSTJZSA-N 0 0 420.440 5.303 40 5 HKBBRN COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1ccccc1F ZINC000408565899 558506854 /nfs/dbraw/zinc/50/68/54/558506854.db2.gz DDKNOXHYBUGXHX-HXUWFJFHSA-N 0 0 420.440 5.303 40 5 HKBBRN COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1cccc(F)c1 ZINC000408566176 558506812 /nfs/dbraw/zinc/50/68/12/558506812.db2.gz DXVSBYAQLIYCRC-NRFANRHFSA-N 0 0 420.440 5.303 40 5 HKBBRN COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1cccc(F)c1 ZINC000408566177 558506887 /nfs/dbraw/zinc/50/68/87/558506887.db2.gz DXVSBYAQLIYCRC-OAQYLSRUSA-N 0 0 420.440 5.303 40 5 HKBBRN O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1ccccc1OCc1ccc(Cl)cc1 ZINC000408566235 559218655 /nfs/dbraw/zinc/21/86/55/559218655.db2.gz FCTIPKHLIDOZRW-NRFANRHFSA-N 0 0 406.869 5.809 40 5 HKBBRN O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1ccccc1OCc1ccc(Cl)cc1 ZINC000408566237 558506844 /nfs/dbraw/zinc/50/68/44/558506844.db2.gz FCTIPKHLIDOZRW-OAQYLSRUSA-N 0 0 406.869 5.809 40 5 HKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(Cl)cc2Cl)n1-c1ccc(C)cc1 ZINC000408567061 559218295 /nfs/dbraw/zinc/21/82/95/559218295.db2.gz GFIYGTYQJLPSNG-KRWDZBQOSA-N 0 0 423.325 5.301 40 5 HKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(Cl)cc2Cl)n1-c1ccc(C)cc1 ZINC000408567062 558506806 /nfs/dbraw/zinc/50/68/06/558506806.db2.gz GFIYGTYQJLPSNG-QGZVFWFLSA-N 0 0 423.325 5.301 40 5 HKBBRN O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1ccccc1OCc1ccccc1Cl ZINC000408567094 558506881 /nfs/dbraw/zinc/50/68/81/558506881.db2.gz GKNAMXMJJOIATJ-FQEVSTJZSA-N 0 0 406.869 5.809 40 5 HKBBRN O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1ccccc1OCc1ccccc1Cl ZINC000408567096 559218759 /nfs/dbraw/zinc/21/87/59/559218759.db2.gz GKNAMXMJJOIATJ-HXUWFJFHSA-N 0 0 406.869 5.809 40 5 HKBBRN O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000408567121 558506871 /nfs/dbraw/zinc/50/68/71/558506871.db2.gz GOAUBGTYAWCVPO-JOCHJYFZSA-N 0 0 417.421 5.064 40 5 HKBBRN O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000408567124 558506835 /nfs/dbraw/zinc/50/68/35/558506835.db2.gz GOAUBGTYAWCVPO-QFIPXVFZSA-N 0 0 417.421 5.064 40 5 HKBBRN CSc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1 ZINC000408568072 558507025 /nfs/dbraw/zinc/50/70/25/558507025.db2.gz HNQXXFTXEAQZGB-IBGZPJMESA-N 0 0 414.556 5.025 40 5 HKBBRN CSc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1 ZINC000408568073 558507054 /nfs/dbraw/zinc/50/70/54/558507054.db2.gz HNQXXFTXEAQZGB-LJQANCHMSA-N 0 0 414.556 5.025 40 5 HKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cccc3ccccc32)n1-c1ccc(C)c(C)c1 ZINC000408569162 559218674 /nfs/dbraw/zinc/21/86/74/559218674.db2.gz JAHKTYFINXUZGF-JOCHJYFZSA-N 0 0 418.522 5.456 40 5 HKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cccc3ccccc32)n1-c1ccc(C)c(C)c1 ZINC000408569163 558507345 /nfs/dbraw/zinc/50/73/45/558507345.db2.gz JAHKTYFINXUZGF-QFIPXVFZSA-N 0 0 418.522 5.456 40 5 HKBBRN O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000408569882 558507621 /nfs/dbraw/zinc/50/76/21/558507621.db2.gz KCXDJWNYLYMSGM-JOCHJYFZSA-N 0 0 406.869 5.809 40 5 HKBBRN O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000408569884 559218659 /nfs/dbraw/zinc/21/86/59/559218659.db2.gz KCXDJWNYLYMSGM-QFIPXVFZSA-N 0 0 406.869 5.809 40 5 HKBBRN COc1cccc2cc(C(=O)Nc3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)oc21 ZINC000408570139 558507889 /nfs/dbraw/zinc/50/78/89/558507889.db2.gz RYAVZQYYTYTCMJ-UHFFFAOYSA-N 0 0 420.446 5.753 40 5 HKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(C(C)C)cc2)n1-c1ccc(Cl)cc1 ZINC000408570302 558508155 /nfs/dbraw/zinc/50/81/55/558508155.db2.gz KWKDKEMBTMZLGA-IBGZPJMESA-N 0 0 416.934 5.463 40 5 HKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(C(C)C)cc2)n1-c1ccc(Cl)cc1 ZINC000408570304 558508152 /nfs/dbraw/zinc/50/81/52/558508152.db2.gz KWKDKEMBTMZLGA-LJQANCHMSA-N 0 0 416.934 5.463 40 5 HKBBRN COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1ccc(F)cc1 ZINC000408571143 559219308 /nfs/dbraw/zinc/21/93/08/559219308.db2.gz NUGYKCKCQVAJLN-NRFANRHFSA-N 0 0 420.440 5.303 40 5 HKBBRN COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1ccc(F)cc1 ZINC000408571144 558508165 /nfs/dbraw/zinc/50/81/65/558508165.db2.gz NUGYKCKCQVAJLN-OAQYLSRUSA-N 0 0 420.440 5.303 40 5 HKBBRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000408571755 558505895 /nfs/dbraw/zinc/50/58/95/558505895.db2.gz FEZPDVDDXIVELC-ZRDIBKRKSA-N 0 0 417.446 5.630 40 5 HKBBRN O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1ccc(OCc2cccc(F)c2)c(Cl)c1 ZINC000408572194 559219485 /nfs/dbraw/zinc/21/94/85/559219485.db2.gz QTZHOCYPOQCPDS-FQEVSTJZSA-N 0 0 424.859 5.948 40 5 HKBBRN O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1ccc(OCc2cccc(F)c2)c(Cl)c1 ZINC000408572196 558506145 /nfs/dbraw/zinc/50/61/45/558506145.db2.gz QTZHOCYPOQCPDS-HXUWFJFHSA-N 0 0 424.859 5.948 40 5 HKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(Cl)cc2Cl)n1-c1cccc(C)c1 ZINC000408572475 558506167 /nfs/dbraw/zinc/50/61/67/558506167.db2.gz RGRWZUHOWXLQOS-KRWDZBQOSA-N 0 0 423.325 5.301 40 5 HKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(Cl)cc2Cl)n1-c1cccc(C)c1 ZINC000408572476 559219288 /nfs/dbraw/zinc/21/92/88/559219288.db2.gz RGRWZUHOWXLQOS-QGZVFWFLSA-N 0 0 423.325 5.301 40 5 HKBBRN O=C(NCCSCc1ccc(Cl)c(Cl)c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000408573376 558507844 /nfs/dbraw/zinc/50/78/44/558507844.db2.gz CZRVGLGILGFCFI-UHFFFAOYSA-N 0 0 419.717 5.218 40 5 HKBBRN O=C(NCCSCc1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000408573907 558509888 /nfs/dbraw/zinc/50/98/88/558509888.db2.gz FDJMJFSKNRSTQX-UHFFFAOYSA-N 0 0 419.717 5.218 40 5 HKBBRN CCn1c2ccccc2c2cc(NC(=O)CSCc3ccc([N+](=O)[O-])cc3)ccc21 ZINC000408573916 558509882 /nfs/dbraw/zinc/50/98/82/558509882.db2.gz FIZPMLJWIRMSQU-UHFFFAOYSA-N 0 0 419.506 5.595 40 5 HKBBRN O=C(NCCSCc1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1Cl ZINC000408573980 558510048 /nfs/dbraw/zinc/51/00/48/558510048.db2.gz GPWLVNHXBVAPQB-UHFFFAOYSA-N 0 0 419.717 5.218 40 5 HKBBRN COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1ccc(C)cc1 ZINC000408573997 558510101 /nfs/dbraw/zinc/51/01/01/558510101.db2.gz UJBJGAXCCGGRAS-JOCHJYFZSA-N 0 0 416.477 5.473 40 5 HKBBRN COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1ccc(C)cc1 ZINC000408573999 558510087 /nfs/dbraw/zinc/51/00/87/558510087.db2.gz UJBJGAXCCGGRAS-QFIPXVFZSA-N 0 0 416.477 5.473 40 5 HKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(C(C)C)cc2)n1-c1ccc(C)c(C)c1 ZINC000408574505 558512980 /nfs/dbraw/zinc/51/29/80/558512980.db2.gz UZRFDNSSWQTHSX-NRFANRHFSA-N 0 0 410.543 5.426 40 5 HKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(C(C)C)cc2)n1-c1ccc(C)c(C)c1 ZINC000408574507 558513039 /nfs/dbraw/zinc/51/30/39/558513039.db2.gz UZRFDNSSWQTHSX-OAQYLSRUSA-N 0 0 410.543 5.426 40 5 HKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cccc3ccccc32)n1-c1cccc(C)c1 ZINC000408574562 559219404 /nfs/dbraw/zinc/21/94/04/559219404.db2.gz VFEQCPCEBDWVHS-NRFANRHFSA-N 0 0 404.495 5.147 40 5 HKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cccc3ccccc32)n1-c1cccc(C)c1 ZINC000408574563 559219195 /nfs/dbraw/zinc/21/91/95/559219195.db2.gz VFEQCPCEBDWVHS-OAQYLSRUSA-N 0 0 404.495 5.147 40 5 HKBBRN CSc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1 ZINC000408575039 559218886 /nfs/dbraw/zinc/21/88/86/559218886.db2.gz VQTCNKHFOBAXJR-KRWDZBQOSA-N 0 0 420.947 5.061 40 5 HKBBRN CSc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1 ZINC000408575040 558508373 /nfs/dbraw/zinc/50/83/73/558508373.db2.gz VQTCNKHFOBAXJR-QGZVFWFLSA-N 0 0 420.947 5.061 40 5 HKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cccc3ccccc32)n1-c1ccc(Cl)cc1 ZINC000408575047 558508361 /nfs/dbraw/zinc/50/83/61/558508361.db2.gz VRXUXJITELWYCP-FQEVSTJZSA-N 0 0 424.913 5.492 40 5 HKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cccc3ccccc32)n1-c1ccc(Cl)cc1 ZINC000408575048 558508341 /nfs/dbraw/zinc/50/83/41/558508341.db2.gz VRXUXJITELWYCP-HXUWFJFHSA-N 0 0 424.913 5.492 40 5 HKBBRN O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1ccc(OCc2ccccc2Cl)cc1 ZINC000408575051 559219298 /nfs/dbraw/zinc/21/92/98/559219298.db2.gz VSFOIOSBQFBTNJ-NRFANRHFSA-N 0 0 406.869 5.809 40 5 HKBBRN O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1ccc(OCc2ccccc2Cl)cc1 ZINC000408575052 559219160 /nfs/dbraw/zinc/21/91/60/559219160.db2.gz VSFOIOSBQFBTNJ-OAQYLSRUSA-N 0 0 406.869 5.809 40 5 HKBBRN CC(C)Oc1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000408575182 558508283 /nfs/dbraw/zinc/50/82/83/558508283.db2.gz KDJBRYFUFGTOAS-XQNSMLJCSA-N 0 0 402.450 5.561 40 5 HKBBRN Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000408575380 559219107 /nfs/dbraw/zinc/21/91/07/559219107.db2.gz KROCAITVDNNSMV-UHFFFAOYSA-N 0 0 412.898 6.101 40 5 HKBBRN O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1ccc(OCc2ccc(F)cc2)c(Cl)c1 ZINC000408575873 558517844 /nfs/dbraw/zinc/51/78/44/558517844.db2.gz WYVQCQZMFYADPG-FQEVSTJZSA-N 0 0 424.859 5.948 40 5 HKBBRN O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1ccc(OCc2ccc(F)cc2)c(Cl)c1 ZINC000408575876 558517955 /nfs/dbraw/zinc/51/79/55/558517955.db2.gz WYVQCQZMFYADPG-HXUWFJFHSA-N 0 0 424.859 5.948 40 5 HKBBRN C[C@H](CCc1ccccc1)NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000408576340 559219376 /nfs/dbraw/zinc/21/93/76/559219376.db2.gz SPMUXHHLIKHLNW-CBTVAOKPSA-N 0 0 400.478 5.273 40 5 HKBBRN C[C@@H](CCc1ccccc1)NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000408576344 558518138 /nfs/dbraw/zinc/51/81/38/558518138.db2.gz SPMUXHHLIKHLNW-YJZSVRAESA-N 0 0 400.478 5.273 40 5 HKBBRN O=C(NC12CC3CC(CC(C3)C1)C2)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000408576467 559219313 /nfs/dbraw/zinc/21/93/13/559219313.db2.gz VORKFDOWJXGLIT-YDZHTSKRSA-N 0 0 402.494 5.220 40 5 HKBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000408577359 558514894 /nfs/dbraw/zinc/51/48/94/558514894.db2.gz ZZJCGCPQYXMZGZ-UHFFFAOYSA-N 0 0 404.797 5.139 40 5 HKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1ccccc1 ZINC000408577811 558515098 /nfs/dbraw/zinc/51/50/98/558515098.db2.gz ZZLUKDGRUOWHAT-JOCHJYFZSA-N 0 0 416.477 5.554 40 5 HKBBRN CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1ccccc1 ZINC000408577812 559219307 /nfs/dbraw/zinc/21/93/07/559219307.db2.gz ZZLUKDGRUOWHAT-QFIPXVFZSA-N 0 0 416.477 5.554 40 5 HKBBRN O=C(Nc1c(Cl)cccc1Cl)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000408583066 558516639 /nfs/dbraw/zinc/51/66/39/558516639.db2.gz YMLINOXDKIMWQW-GHRIWEEISA-N 0 0 413.260 6.081 40 5 HKBBRN CC(=O)c1cc([N+](=O)[O-])ccc1Sc1n[nH]c(-c2ccc(Cl)cc2Cl)n1 ZINC000408583115 558516584 /nfs/dbraw/zinc/51/65/84/558516584.db2.gz RRQHVSCZDCLNRA-UHFFFAOYSA-N 0 0 409.254 5.041 40 5 HKBBRN COc1ccc(NC(=S)Nc2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000408586312 558518924 /nfs/dbraw/zinc/51/89/24/558518924.db2.gz NJIRQBUDSBDOAW-UHFFFAOYSA-N 0 0 411.508 5.564 40 5 HKBBRN O=[N+]([O-])c1ccc(Sc2ccc(NC(=S)NCCCc3ccccc3)cc2)cc1 ZINC000408588012 559220002 /nfs/dbraw/zinc/22/00/02/559220002.db2.gz VVUMSHVRFLVWPA-UHFFFAOYSA-N 0 0 423.563 5.665 40 5 HKBBRN O=[N+]([O-])c1ccc(NCc2cccc(OCc3ccc(Br)cc3)c2)cc1 ZINC000408602993 559220728 /nfs/dbraw/zinc/22/07/28/559220728.db2.gz ACHZMQPDERNUFU-UHFFFAOYSA-N 0 0 413.271 5.548 40 5 HKBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1OCc1cccc(Cl)c1 ZINC000408603062 558538887 /nfs/dbraw/zinc/53/88/87/558538887.db2.gz AMBOAICHECNLOV-UHFFFAOYSA-N 0 0 412.873 5.838 40 5 HKBBRN COc1cc(CNc2ccc(F)c(Cl)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408603084 558538858 /nfs/dbraw/zinc/53/88/58/558538858.db2.gz APQHBGNWYZUEDG-UHFFFAOYSA-N 0 0 416.836 5.587 40 5 HKBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1 ZINC000408603133 558538802 /nfs/dbraw/zinc/53/88/02/558538802.db2.gz AWXASNLXMBVTAY-UHFFFAOYSA-N 0 0 412.873 5.838 40 5 HKBBRN COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408603158 559220724 /nfs/dbraw/zinc/22/07/24/559220724.db2.gz AZDZHVVSHOKRAI-UHFFFAOYSA-N 0 0 412.873 5.756 40 5 HKBBRN O=[N+]([O-])c1ccc(COc2cccc(CNc3ccc(Cl)cc3Cl)c2)cc1 ZINC000408603195 558538876 /nfs/dbraw/zinc/53/88/76/558538876.db2.gz BIJCUMALLFJAMW-UHFFFAOYSA-N 0 0 403.265 6.093 40 5 HKBBRN COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1cccc(F)c1 ZINC000408604068 558538812 /nfs/dbraw/zinc/53/88/12/558538812.db2.gz DELORWQUGOCPDY-UHFFFAOYSA-N 0 0 416.836 5.587 40 5 HKBBRN O=[N+]([O-])c1ccc(NCc2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 ZINC000408604691 559221003 /nfs/dbraw/zinc/22/10/03/559221003.db2.gz DUEHQOJABZOXLA-UHFFFAOYSA-N 0 0 403.265 6.093 40 5 HKBBRN O=[N+]([O-])c1ccc(NCc2cc(Br)ccc2OCc2ccccc2)cc1 ZINC000408604804 559220978 /nfs/dbraw/zinc/22/09/78/559220978.db2.gz FGFKYAMSCCDDMD-UHFFFAOYSA-N 0 0 413.271 5.548 40 5 HKBBRN O=[N+]([O-])c1ccc(COc2ccc(Cl)cc2CNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408604933 558539016 /nfs/dbraw/zinc/53/90/16/558539016.db2.gz FWZAOKGPAQEIIZ-UHFFFAOYSA-N 0 0 413.817 5.348 40 5 HKBBRN O=[N+]([O-])c1ccc(NCc2ccc(OCc3ccccc3)c(Br)c2)cc1 ZINC000408605606 558539208 /nfs/dbraw/zinc/53/92/08/558539208.db2.gz GDSFPBHVSPFJOP-UHFFFAOYSA-N 0 0 413.271 5.548 40 5 HKBBRN O=[N+]([O-])c1ccc(NCc2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1 ZINC000408605626 558539194 /nfs/dbraw/zinc/53/91/94/558539194.db2.gz GHHTUIOWYVODBE-UHFFFAOYSA-N 0 0 403.265 6.093 40 5 HKBBRN COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408605670 557517930 /nfs/dbraw/zinc/51/79/30/557517930.db2.gz GJHRMDRVYZPSQT-UHFFFAOYSA-N 0 0 416.836 5.587 40 5 HKBBRN O=[N+]([O-])c1ccc(NCc2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 ZINC000408606534 558539474 /nfs/dbraw/zinc/53/94/74/558539474.db2.gz ILQDFFIRIWARJZ-UHFFFAOYSA-N 0 0 403.265 6.093 40 5 HKBBRN O=C(Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1cc2cc(Cl)ccc2o1 ZINC000408606595 558539379 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O=[N+]([O-])c1ccc(NCc2cc(Cl)ccc2OCc2ccccc2Cl)cc1 ZINC000408607227 558539405 /nfs/dbraw/zinc/53/94/05/558539405.db2.gz KABVBCPCHPULCM-UHFFFAOYSA-N 0 0 403.265 6.093 40 5 HKBBRN CCCOc1c(Br)cc(CNc2ccc([N+](=O)[O-])cc2)cc1OCC ZINC000408607360 559221353 /nfs/dbraw/zinc/22/13/53/559221353.db2.gz LGZJSLUEPVRLQZ-UHFFFAOYSA-N 0 0 409.280 5.157 40 5 HKBBRN O=[N+]([O-])c1ccc(NCc2c(OCc3ccc(Cl)cc3)ccc3ccccc32)cc1 ZINC000408607989 558539578 /nfs/dbraw/zinc/53/95/78/558539578.db2.gz LITCZHCCMVQJEB-UHFFFAOYSA-N 0 0 418.880 6.593 40 5 HKBBRN O=[N+]([O-])c1ccc(NCc2ccc(OCc3cccc(Cl)c3)c(Cl)c2)cc1 ZINC000408608009 559221366 /nfs/dbraw/zinc/22/13/66/559221366.db2.gz LPEDELYITQDNLJ-UHFFFAOYSA-N 0 0 403.265 6.093 40 5 HKBBRN O=[N+]([O-])c1ccc(NCc2ccccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000408608012 559221295 /nfs/dbraw/zinc/22/12/95/559221295.db2.gz LROUFWKQHMVCDJ-UHFFFAOYSA-N 0 0 403.265 6.093 40 5 HKBBRN O=[N+]([O-])c1ccc(NCc2cc(Cl)ccc2OCc2cccc3ccccc32)cc1 ZINC000408608044 558539634 /nfs/dbraw/zinc/53/96/34/558539634.db2.gz MFVHGIBVZXCDDZ-UHFFFAOYSA-N 0 0 418.880 6.593 40 5 HKBBRN O=[N+]([O-])c1ccc(NCc2cc(Cl)c(OCc3ccccc3)c(Cl)c2)cc1 ZINC000408609101 558540118 /nfs/dbraw/zinc/54/01/18/558540118.db2.gz NYUZONBPAUTKTI-UHFFFAOYSA-N 0 0 403.265 6.093 40 5 HKBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1Cl ZINC000408609164 558540155 /nfs/dbraw/zinc/54/01/55/558540155.db2.gz OKBOLDDEHYGBTM-UHFFFAOYSA-N 0 0 412.873 5.838 40 5 HKBBRN O=[N+]([O-])c1ccc(NCc2ccc(OCc3cccc4ccccc43)c(Cl)c2)cc1 ZINC000408609169 558540151 /nfs/dbraw/zinc/54/01/51/558540151.db2.gz OKWGWRDGLPCCPH-UHFFFAOYSA-N 0 0 418.880 6.593 40 5 HKBBRN O=[N+]([O-])c1ccc(NCc2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1 ZINC000408609901 558535259 /nfs/dbraw/zinc/53/52/59/558535259.db2.gz PJDZXUPAAOTLCM-UHFFFAOYSA-N 0 0 421.255 6.232 40 5 HKBBRN O=[N+]([O-])c1ccc(COc2ccc(CNc3ccc([N+](=O)[O-])cc3)cc2Cl)cc1 ZINC000408610662 557534093 /nfs/dbraw/zinc/53/40/93/557534093.db2.gz RCJYFPZABMRQDY-UHFFFAOYSA-N 0 0 413.817 5.348 40 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/nfs/dbraw/zinc/53/71/37/558537137.db2.gz UHUFTYZZMYLYJR-UHFFFAOYSA-N 0 0 403.265 6.093 40 5 HKBBRN O=[N+]([O-])c1ccc(NCc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000408612147 558537493 /nfs/dbraw/zinc/53/74/93/558537493.db2.gz UNKZWIGXDVUHOL-UHFFFAOYSA-N 0 0 403.265 6.093 40 5 HKBBRN O=[N+]([O-])c1ccc(NCc2c(OCc3ccccc3F)ccc3ccccc32)cc1 ZINC000408612151 558537514 /nfs/dbraw/zinc/53/75/14/558537514.db2.gz UOFXPLHSJQCFDN-UHFFFAOYSA-N 0 0 402.425 6.078 40 5 HKBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OC(C)C ZINC000408612311 558537543 /nfs/dbraw/zinc/53/75/43/558537543.db2.gz VIRBIMYHPSYFJU-UHFFFAOYSA-N 0 0 409.280 5.155 40 5 HKBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccccc1 ZINC000408612445 558537638 /nfs/dbraw/zinc/53/76/38/558537638.db2.gz WAACJSQJDGDJHU-UHFFFAOYSA-N 0 0 412.873 5.838 40 5 HKBBRN O=[N+]([O-])c1ccc(NCc2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1 ZINC000408612458 558537622 /nfs/dbraw/zinc/53/76/22/558537622.db2.gz WDDQKXKCSBCHBC-UHFFFAOYSA-N 0 0 403.265 6.093 40 5 HKBBRN O=[N+]([O-])c1ccc(NCc2c(OCc3ccc(F)cc3)ccc3ccccc32)cc1 ZINC000408612495 558537646 /nfs/dbraw/zinc/53/76/46/558537646.db2.gz WFXCOCLAWBVHOD-UHFFFAOYSA-N 0 0 402.425 6.078 40 5 HKBBRN O=[N+]([O-])c1ccc(NCc2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1 ZINC000408613176 559221563 /nfs/dbraw/zinc/22/15/63/559221563.db2.gz XUKSQPGNGBGBGP-UHFFFAOYSA-N 0 0 403.265 6.093 40 5 HKBBRN O=[N+]([O-])c1ccc(COc2ccc(Cl)cc2CNc2ccc(F)c(Cl)c2)cc1 ZINC000408613595 558538033 /nfs/dbraw/zinc/53/80/33/558538033.db2.gz YPKZLUOQESVWOW-UHFFFAOYSA-N 0 0 421.255 6.232 40 5 HKBBRN Cc1ccc(COc2c(Cl)cc(CNc3ccc([N+](=O)[O-])cc3)cc2Cl)cc1 ZINC000408613631 558538118 /nfs/dbraw/zinc/53/81/18/558538118.db2.gz ZAPJPVGYFBDPRI-UHFFFAOYSA-N 0 0 417.292 6.401 40 5 HKBBRN O=[N+]([O-])c1ccc(NCc2ccccc2OCc2ccc(Br)cc2)cc1 ZINC000408613682 557533559 /nfs/dbraw/zinc/53/35/59/557533559.db2.gz ZHTQKXDBGQYIBJ-UHFFFAOYSA-N 0 0 413.271 5.548 40 5 HKBBRN CCOc1cc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])ccc1OCc1ccccc1 ZINC000408617463 558543465 /nfs/dbraw/zinc/54/34/65/558543465.db2.gz CIIFDGITKXOJBY-UHFFFAOYSA-N 0 0 406.438 5.133 40 5 HKBBRN O=C(Nc1ccc(Cl)cc1Cl)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000408617493 558543529 /nfs/dbraw/zinc/54/35/29/558543529.db2.gz CLNAQSADBKZZPL-UHFFFAOYSA-N 0 0 411.628 6.067 40 5 HKBBRN O=C(COC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccc([N+](=O)[O-])cc1 ZINC000408617657 558543536 /nfs/dbraw/zinc/54/35/36/558543536.db2.gz DACRUINZMZSPON-UHFFFAOYSA-N 0 0 420.204 5.201 40 5 HKBBRN O=C(Nc1cccc(Br)c1)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000408617678 559221629 /nfs/dbraw/zinc/22/16/29/559221629.db2.gz DDMHEQQIIOLGAV-UHFFFAOYSA-N 0 0 421.634 5.523 40 5 HKBBRN O=C(Nc1ccccc1C(F)(F)F)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000408617680 558543508 /nfs/dbraw/zinc/54/35/08/558543508.db2.gz DEIQNIIKPVCACA-UHFFFAOYSA-N 0 0 410.735 5.779 40 5 HKBBRN O=C(COC(=O)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccc(Cl)cc1 ZINC000408618140 558543689 /nfs/dbraw/zinc/54/36/89/558543689.db2.gz DPMSUVOCDWSCCS-UHFFFAOYSA-N 0 0 420.204 5.201 40 5 HKBBRN O=C(NCc1cccc2ccccc21)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000408618838 558543863 /nfs/dbraw/zinc/54/38/63/558543863.db2.gz HCVQUXITHZTJOU-UHFFFAOYSA-N 0 0 406.825 5.591 40 5 HKBBRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1ccccc1[N+](=O)[O-] ZINC000408619253 558543880 /nfs/dbraw/zinc/54/38/80/558543880.db2.gz AQYYAKNCOOTASX-JXMROGBWSA-N 0 0 403.221 5.814 40 5 HKBBRN CC1CCN(c2ccc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)CC1 ZINC000408619327 558543884 /nfs/dbraw/zinc/54/38/84/558543884.db2.gz BDGAZOQCQKXZFV-UHFFFAOYSA-N 0 0 405.454 5.343 40 5 HKBBRN Cc1cc(C)cc(-c2nc3cc(NC(=O)c4cccc([N+](=O)[O-])c4C)ccc3o2)c1 ZINC000408619543 558543927 /nfs/dbraw/zinc/54/39/27/558543927.db2.gz CSEVLGIPJJMAAP-UHFFFAOYSA-N 0 0 401.422 5.581 40 5 HKBBRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccccc1[N+](=O)[O-] ZINC000408619969 558544080 /nfs/dbraw/zinc/54/40/80/558544080.db2.gz FFHLCVFOLYNNJQ-SOFGYWHQSA-N 0 0 403.221 5.814 40 5 HKBBRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccc([N+](=O)[O-])cc1 ZINC000408620007 559221752 /nfs/dbraw/zinc/22/17/52/559221752.db2.gz GKOAPHKGPLHMDG-SOFGYWHQSA-N 0 0 403.221 5.814 40 5 HKBBRN Cc1cc(C)cc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)ccc3o2)c1 ZINC000408620015 559221751 /nfs/dbraw/zinc/22/17/51/559221751.db2.gz GMZTZRJGYQFMNV-UHFFFAOYSA-N 0 0 401.422 5.581 40 5 HKBBRN O=C(Nc1cccc(Cl)c1Cl)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000408620359 558544262 /nfs/dbraw/zinc/54/42/62/558544262.db2.gz MAKCYOYJDIJJQD-UHFFFAOYSA-N 0 0 411.628 6.067 40 5 HKBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)COc1ccc(C2CCCCC2)cc1 ZINC000408620534 559221738 /nfs/dbraw/zinc/22/17/38/559221738.db2.gz HAWBGSBKRCFJDD-UHFFFAOYSA-N 0 0 402.878 5.622 40 5 HKBBRN CC1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)CC1 ZINC000408620574 558544266 /nfs/dbraw/zinc/54/42/66/558544266.db2.gz HJRDQONJKRGMMA-UHFFFAOYSA-N 0 0 405.454 5.343 40 5 HKBBRN Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1Cl ZINC000408620624 558544288 /nfs/dbraw/zinc/54/42/88/558544288.db2.gz HWXJFEKEBWSBEV-UHFFFAOYSA-N 0 0 403.649 5.189 40 5 HKBBRN CCOc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1OCc1ccccc1 ZINC000408621061 558544456 /nfs/dbraw/zinc/54/44/56/558544456.db2.gz NNIBUQIBJCJQES-UHFFFAOYSA-N 0 0 406.438 5.133 40 5 HKBBRN Cc1ccc(-c2nc3cc(NC(=O)c4cccc([N+](=O)[O-])c4C)ccc3o2)c(C)c1 ZINC000408621102 558544423 /nfs/dbraw/zinc/54/44/23/558544423.db2.gz JSQGENFKDUKUFK-UHFFFAOYSA-N 0 0 401.422 5.581 40 5 HKBBRN O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc(Oc2ccccc2)cc1 ZINC000408621135 558544474 /nfs/dbraw/zinc/54/44/74/558544474.db2.gz NUCXTKPRIXPVPP-UHFFFAOYSA-N 0 0 419.820 6.532 40 5 HKBBRN O=C(COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc(Cl)cc1 ZINC000408621649 558544642 /nfs/dbraw/zinc/54/46/42/558544642.db2.gz OYUVUFNXQALYMF-UHFFFAOYSA-N 0 0 420.204 5.201 40 5 HKBBRN Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1Cl ZINC000408622017 558544603 /nfs/dbraw/zinc/54/46/03/558544603.db2.gz PHEVZFAMXKWSNL-UHFFFAOYSA-N 0 0 403.649 5.189 40 5 HKBBRN O=C(NCc1cccc2ccccc21)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000408622437 558540641 /nfs/dbraw/zinc/54/06/41/558540641.db2.gz QDYMHJFXGFRVFZ-UHFFFAOYSA-N 0 0 406.825 5.591 40 5 HKBBRN O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000408622657 558540572 /nfs/dbraw/zinc/54/05/72/558540572.db2.gz QIIPMWDYLCMYAK-UHFFFAOYSA-N 0 0 401.422 5.347 40 5 HKBBRN O=C(Nc1ccccc1Br)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000408623276 559221859 /nfs/dbraw/zinc/22/18/59/559221859.db2.gz SAGGYMXMXOGDGC-UHFFFAOYSA-N 0 0 421.634 5.523 40 5 HKBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(C(F)(F)F)cc1Cl ZINC000408623284 559221857 /nfs/dbraw/zinc/22/18/57/559221857.db2.gz SHYPAHYGIJPEPT-QHHAFSJGSA-N 0 0 405.159 5.572 40 5 HKBBRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1cccc([N+](=O)[O-])c1 ZINC000408623973 559221794 /nfs/dbraw/zinc/22/17/94/559221794.db2.gz WADUOIGMQBATER-FNORWQNLSA-N 0 0 403.221 5.814 40 5 HKBBRN O=C(Nc1cc(Cl)ccc1Cl)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000408624179 558540745 /nfs/dbraw/zinc/54/07/45/558540745.db2.gz UVRZYIFCKQUALM-UHFFFAOYSA-N 0 0 411.628 6.067 40 5 HKBBRN Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccccc2[N+](=O)[O-])c1Cl ZINC000408624676 559221907 /nfs/dbraw/zinc/22/19/07/559221907.db2.gz YUKZGVMZKLNKLD-UHFFFAOYSA-N 0 0 403.649 5.189 40 5 HKBBRN CCOc1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)ccc1OCc1ccccc1 ZINC000408624961 558541148 /nfs/dbraw/zinc/54/11/48/558541148.db2.gz WFRCLPMXTZVVKW-UHFFFAOYSA-N 0 0 406.438 5.133 40 5 HKBBRN O=C(Nc1ccc(Br)cc1)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000408624966 558541143 /nfs/dbraw/zinc/54/11/43/558541143.db2.gz WHEUPHBJRIPURF-UHFFFAOYSA-N 0 0 421.634 5.523 40 5 HKBBRN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000408625103 559221927 /nfs/dbraw/zinc/22/19/27/559221927.db2.gz WTYXQMFGWXETOW-UHFFFAOYSA-N 0 0 411.628 6.067 40 5 HKBBRN O=C(c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccc(Oc2ccccc2)cc1 ZINC000408625144 558541237 /nfs/dbraw/zinc/54/12/37/558541237.db2.gz WZGFFAGYTPJMIO-UHFFFAOYSA-N 0 0 419.820 6.532 40 5 HKBBRN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000408626015 559222025 /nfs/dbraw/zinc/22/20/25/559222025.db2.gz ZALNQVHIMURKIV-UHFFFAOYSA-N 0 0 410.735 5.779 40 5 HKBBRN C[C@H]1CCCCN1c1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000408629081 558541682 /nfs/dbraw/zinc/54/16/82/558541682.db2.gz LTIFVIHWMVJOKL-INIZCTEOSA-N 0 0 405.454 5.486 40 5 HKBBRN C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000408629082 559221814 /nfs/dbraw/zinc/22/18/14/559221814.db2.gz LTIFVIHWMVJOKL-MRXNPFEDSA-N 0 0 405.454 5.486 40 5 HKBBRN C[C@H]1CCCCN1c1ccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000408629209 558541665 /nfs/dbraw/zinc/54/16/65/558541665.db2.gz PZXWCTMZXRXJJO-INIZCTEOSA-N 0 0 405.454 5.486 40 5 HKBBRN C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000408629210 558541693 /nfs/dbraw/zinc/54/16/93/558541693.db2.gz PZXWCTMZXRXJJO-MRXNPFEDSA-N 0 0 405.454 5.486 40 5 HKBBRN Cc1ccc(C)n1N(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408681215 558562367 /nfs/dbraw/zinc/56/23/67/558562367.db2.gz HJEOXFUPCZNNQJ-UHFFFAOYSA-N 0 0 418.280 5.299 40 5 HKBBRN Cc1ccc(C)n1N(Cc1ccc(Cl)cc1Cl)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408689767 558564464 /nfs/dbraw/zinc/56/44/64/558564464.db2.gz ZANFKGOCSSTFPB-UHFFFAOYSA-N 0 0 418.280 5.299 40 5 HKBBRN O=C(NCCOc1ccccc1Cl)Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408717893 559224694 /nfs/dbraw/zinc/22/46/94/559224694.db2.gz JLRPCRGIBHDIHA-UHFFFAOYSA-N 0 0 420.796 5.148 40 5 HKBBRN Cc1ccc(OCCNC(=O)Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1C ZINC000408717896 558585766 /nfs/dbraw/zinc/58/57/66/558585766.db2.gz OZNIWWBNPGXTQR-UHFFFAOYSA-N 0 0 414.405 5.111 40 5 HKBBRN O=C(NCCOc1ccc(Cl)cc1)Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408717898 558585771 /nfs/dbraw/zinc/58/57/71/558585771.db2.gz XOSVZBHQTRAMKZ-UHFFFAOYSA-N 0 0 420.796 5.148 40 5 HKBBRN Cc1cc(-c2ccc(C=Cc3cc(C(F)(F)F)nc(=O)[nH]3)o2)c([N+](=O)[O-])cc1C ZINC000408720433 558584266 /nfs/dbraw/zinc/58/42/66/558584266.db2.gz OQZPRVYUWYTIFA-ONEGZZNKSA-N 0 0 405.332 5.156 40 5 HKBBRN O=C(Nc1ccc(Br)cc1)c1ccc2nc3[nH]c4ccccc4c3nc2c1 ZINC000408721255 558587683 /nfs/dbraw/zinc/58/76/83/558587683.db2.gz FWMDRVDKYQEGTE-UHFFFAOYSA-N 0 0 417.266 5.279 40 5 HKBBRN O=C(CSCc1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)Cc1ccccc1 ZINC000408723762 558586327 /nfs/dbraw/zinc/58/63/27/558586327.db2.gz KOLMETWMKXVCKA-UHFFFAOYSA-N 0 0 406.507 5.057 40 5 HKBBRN CCCCc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000408733240 558594088 /nfs/dbraw/zinc/59/40/88/558594088.db2.gz GYIHLDZHWDQPTK-HSZRJFAPSA-N 0 0 401.466 5.709 40 5 HKBBRN CCCCc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000408733241 559225558 /nfs/dbraw/zinc/22/55/58/559225558.db2.gz GYIHLDZHWDQPTK-QHCPKHFHSA-N 0 0 401.466 5.709 40 5 HKBBRN Cc1sc2nc(-c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)[nH]c(=O)c2c1C ZINC000408734169 558592859 /nfs/dbraw/zinc/59/28/59/558592859.db2.gz FBJRHAOHAHQTDP-UHFFFAOYSA-N 0 0 401.831 5.502 40 5 HKBBRN COc1ccc(-c2ccc(-c3nc4sc5c(c4c(=O)[nH]3)CCCC5)o2)c([N+](=O)[O-])c1 ZINC000408735276 558594082 /nfs/dbraw/zinc/59/40/82/558594082.db2.gz PLSMFQNPVCGWHE-UHFFFAOYSA-N 0 0 423.450 5.120 40 5 HKBBRN Cc1sc2nc(-c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)[nH]c(=O)c2c1C ZINC000408735397 559225688 /nfs/dbraw/zinc/22/56/88/559225688.db2.gz RGWKEZAIXOPRIY-UHFFFAOYSA-N 0 0 407.451 5.168 40 5 HKBBRN Cc1sc2nc(-c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)[nH]c(=O)c2c1C ZINC000408735873 558596175 /nfs/dbraw/zinc/59/61/75/558596175.db2.gz YRMGYWZWZQJCFS-UHFFFAOYSA-N 0 0 401.831 5.502 40 5 HKBBRN Cc1sc2nc(-c3ccccc3OCc3ccc([N+](=O)[O-])cc3)[nH]c(=O)c2c1C ZINC000408735937 558594495 /nfs/dbraw/zinc/59/44/95/558594495.db2.gz ZNNAZRAGWHFNQW-UHFFFAOYSA-N 0 0 407.451 5.168 40 5 HKBBRN C[C@H]1Cc2ccccc2N1C(=S)Oc1ccc2nc3[nH]c4ccccc4c3nc2c1 ZINC000408735992 558594475 /nfs/dbraw/zinc/59/44/75/558594475.db2.gz ZJYYYDBJIFEZKA-AWEZNQCLSA-N 0 0 410.502 5.379 40 5 HKBBRN C[C@@H]1Cc2ccccc2N1C(=S)Oc1ccc2nc3[nH]c4ccccc4c3nc2c1 ZINC000408735993 558594487 /nfs/dbraw/zinc/59/44/87/558594487.db2.gz ZJYYYDBJIFEZKA-CQSZACIVSA-N 0 0 410.502 5.379 40 5 HKBBRN CCCN1C(=O)c2cccc3c(Nc4cccc(Cl)c4)c([N+](=O)[O-])cc(c23)C1=O ZINC000408756049 558617477 /nfs/dbraw/zinc/61/74/77/558617477.db2.gz HEERDEUARRERLQ-UHFFFAOYSA-N 0 0 409.829 5.151 40 5 HKBBRN CCCCN1C(=O)c2cccc3c(Nc4ccc(Cl)cc4)c([N+](=O)[O-])cc(c23)C1=O ZINC000408757715 558614598 /nfs/dbraw/zinc/61/45/98/558614598.db2.gz PDESVBAQVDAIBI-UHFFFAOYSA-N 0 0 423.856 5.541 40 5 HKBBRN CCCCN1C(=O)c2cccc3c(Nc4cccc(Cl)c4)c([N+](=O)[O-])cc(c23)C1=O ZINC000408757946 558615071 /nfs/dbraw/zinc/61/50/71/558615071.db2.gz SNRCHSHMJYBFIP-UHFFFAOYSA-N 0 0 423.856 5.541 40 5 HKBBRN CCCN1C(=O)c2cccc3c(Nc4ccc(Cl)cc4)c([N+](=O)[O-])cc(c23)C1=O ZINC000408758346 558616007 /nfs/dbraw/zinc/61/60/07/558616007.db2.gz YIYKTWYJQNNOQI-UHFFFAOYSA-N 0 0 409.829 5.151 40 5 HKBBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3c4ccccc4cc4ccccc43)S2)cc1 ZINC000408774872 558633068 /nfs/dbraw/zinc/63/30/68/558633068.db2.gz XXDNQFCUNIAYLY-GTWFGUSFSA-N 0 0 410.542 6.155 40 5 HKBBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3c4ccccc4cc4ccccc43)S2)cc1 ZINC000408775044 558633299 /nfs/dbraw/zinc/63/32/99/558633299.db2.gz XXDNQFCUNIAYLY-SJJVXOANSA-N 0 0 410.542 6.155 40 5 HKBBRN CCc1ccc(N[C@H]2NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)S2)cc1 ZINC000408778254 560640769 /nfs/dbraw/zinc/64/07/69/560640769.db2.gz RRGICAVUACZTMT-IMEWXKHHSA-N 0 0 421.478 5.017 40 5 HKBBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)S2)cc1 ZINC000408778255 560640783 /nfs/dbraw/zinc/64/07/83/560640783.db2.gz RRGICAVUACZTMT-WVWKGNOCSA-N 0 0 421.478 5.017 40 5 HKBBRN CCc1ccc(N[C@H]2NC(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)cc1 ZINC000408779346 558636009 /nfs/dbraw/zinc/63/60/09/558636009.db2.gz DBTDWWXKGZUSOK-IMEWXKHHSA-N 0 0 421.478 5.017 40 5 HKBBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)cc1 ZINC000408779347 560640906 /nfs/dbraw/zinc/64/09/06/560640906.db2.gz DBTDWWXKGZUSOK-WVWKGNOCSA-N 0 0 421.478 5.017 40 5 HKBBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)S2)cc1 ZINC000408787008 560641693 /nfs/dbraw/zinc/64/16/93/560641693.db2.gz PNWHJOAAFVLFPF-VLOXRPPESA-N 0 0 421.478 5.017 40 5 HKBBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)S2)cc1 ZINC000408787010 558640395 /nfs/dbraw/zinc/64/03/95/558640395.db2.gz PNWHJOAAFVLFPF-WLJFKGHSSA-N 0 0 421.478 5.017 40 5 HKBBRN Cc1ccc(-c2ccc(/C=C3\SC(=O)N(c4ccccc4)C3=O)o2)cc1[N+](=O)[O-] ZINC000408810763 560644003 /nfs/dbraw/zinc/64/40/03/560644003.db2.gz JSLAQGPVMNBIQA-UNOMPAQXSA-N 0 0 406.419 5.404 40 5 HKBBRN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)o1 ZINC000408812390 558649207 /nfs/dbraw/zinc/64/92/07/558649207.db2.gz MXLQHPZZMOUFSJ-UNOMPAQXSA-N 0 0 422.418 5.104 40 5 HKBBRN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(Nc3ccccc3F)NC2=O)o1 ZINC000408812623 560644227 /nfs/dbraw/zinc/64/42/27/560644227.db2.gz NGJCBUWKTZICMA-UHFFFAOYSA-N 0 0 424.433 5.065 40 5 HKBBRN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\SC(Nc3ccccc3F)NC2=O)o1 ZINC000408813418 558648767 /nfs/dbraw/zinc/64/87/67/558648767.db2.gz NDJXZUGQNSZDEM-UHFFFAOYSA-N 0 0 424.433 5.065 40 5 HKBBRN Cc1cc(-c2ccc(/C=C3\SC(=O)N(c4ccccc4)C3=O)o2)cc([N+](=O)[O-])c1C ZINC000408820116 560645411 /nfs/dbraw/zinc/64/54/11/560645411.db2.gz VFMVEAVXOFVENJ-NDENLUEZSA-N 0 0 420.446 5.713 40 5 HKBBRN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)s1)c1cccnc1 ZINC000408821609 560645523 /nfs/dbraw/zinc/64/55/23/560645523.db2.gz JKCZDNMVARODGN-UHFFFAOYSA-N 0 0 402.435 5.033 40 5 HKBBRN CCCc1sc(NC(=O)c2ccccc2[N+](=O)[O-])nc1-c1ccc(OCC)cc1 ZINC000408822633 560645267 /nfs/dbraw/zinc/64/52/67/560645267.db2.gz CLPVVZRNWDXEDL-UHFFFAOYSA-N 0 0 411.483 5.322 40 5 HKBBRN Cc1sc(NC(=O)c2cccc([N+](=O)[O-])c2)nc1-c1ccc(Cl)cc1Cl ZINC000408823333 560645256 /nfs/dbraw/zinc/64/52/56/560645256.db2.gz DYCHRPUXVLJIPK-UHFFFAOYSA-N 0 0 408.266 5.586 40 5 HKBBRN Cc1sc(NC(=O)c2ccccc2[N+](=O)[O-])nc1-c1ccc(Cl)c(Cl)c1 ZINC000408823490 560645225 /nfs/dbraw/zinc/64/52/25/560645225.db2.gz DPFIYUDZWZAVDS-UHFFFAOYSA-N 0 0 408.266 5.586 40 5 HKBBRN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)s1)c1ccncc1 ZINC000408824797 560645623 /nfs/dbraw/zinc/64/56/23/560645623.db2.gz HTEDSVHUXGDLRX-UHFFFAOYSA-N 0 0 402.435 5.033 40 5 HKBBRN CN1C(=O)S/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O ZINC000408826053 558661510 /nfs/dbraw/zinc/66/15/10/558661510.db2.gz SOLUNALXNIGCNZ-NVNXTCNLSA-N 0 0 424.356 5.072 40 5 HKBBRN Cc1ccc(-c2sc(NC(=O)c3ccccn3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408829581 558664177 /nfs/dbraw/zinc/66/41/77/558664177.db2.gz OEYCMJIKGONKPV-UHFFFAOYSA-N 0 0 416.462 5.341 40 5 HKBBRN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)s1)c1ccc(F)cc1 ZINC000408829872 558664166 /nfs/dbraw/zinc/66/41/66/558664166.db2.gz NILGUOFKKWCJBH-UHFFFAOYSA-N 0 0 419.437 5.777 40 5 HKBBRN Cc1cccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)c(-c3ccccc3)s2)c1 ZINC000408830740 558664462 /nfs/dbraw/zinc/66/44/62/558664462.db2.gz GIGHWDVFIXGZON-UHFFFAOYSA-N 0 0 415.474 5.946 40 5 HKBBRN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)s1)c1ccccn1 ZINC000408830944 558664678 /nfs/dbraw/zinc/66/46/78/558664678.db2.gz ZCEYCKQFHFVQAZ-UHFFFAOYSA-N 0 0 402.435 5.033 40 5 HKBBRN Cc1ccc(-c2sc(NC(=O)c3cccnc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408832025 558664832 /nfs/dbraw/zinc/66/48/32/558664832.db2.gz PQXHBQCYOFHITR-UHFFFAOYSA-N 0 0 416.462 5.341 40 5 HKBBRN Cc1ccc(-c2sc(NC(=O)c3ccncc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408832060 558665083 /nfs/dbraw/zinc/66/50/83/558665083.db2.gz QZVZALPKPCTSCX-UHFFFAOYSA-N 0 0 416.462 5.341 40 5 HKBBRN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)s1)c1ccccc1 ZINC000408833637 560645833 /nfs/dbraw/zinc/64/58/33/560645833.db2.gz UEXRQMOFTRVQOI-UHFFFAOYSA-N 0 0 401.447 5.638 40 5 HKBBRN Cc1ccc(-c2sc(NC(=O)c3ccco3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408833957 558665738 /nfs/dbraw/zinc/66/57/38/558665738.db2.gz KQEKXTXZFRYMJX-UHFFFAOYSA-N 0 0 405.435 5.539 40 5 HKBBRN CCCc1sc(NC(=O)c2cccc([N+](=O)[O-])c2)nc1-c1ccc(OCC)cc1 ZINC000408835083 558667694 /nfs/dbraw/zinc/66/76/94/558667694.db2.gz WAGMRTGQOXYRJH-UHFFFAOYSA-N 0 0 411.483 5.322 40 5 HKBBRN O=C1OC(c2sc3cc(Cl)ccc3c2Cl)=N/C1=C/c1cccc([N+](=O)[O-])c1 ZINC000408839176 558671600 /nfs/dbraw/zinc/67/16/00/558671600.db2.gz OIGONIWUIVWYEZ-NTUHNPAUSA-N 0 0 419.245 5.461 40 5 HKBBRN O=C1OC(c2sc3cc(Cl)ccc3c2Cl)=N/C1=C/c1ccc([N+](=O)[O-])cc1 ZINC000408846002 560646427 /nfs/dbraw/zinc/64/64/27/560646427.db2.gz QFWCLOPOZZRICD-NTUHNPAUSA-N 0 0 419.245 5.461 40 5 HKBBRN O=C1OC(c2sc3cc([N+](=O)[O-])ccc3c2Cl)=N/C1=C/c1ccc(Cl)cc1 ZINC000408848646 560646953 /nfs/dbraw/zinc/64/69/53/560646953.db2.gz XNLMKKGHRQLIKP-NTUHNPAUSA-N 0 0 419.245 5.461 40 5 HKBBRN O=C1OC(c2sc3cc([N+](=O)[O-])ccc3c2Cl)=N/C1=C/C=C/c1ccccc1 ZINC000408848844 560646987 /nfs/dbraw/zinc/64/69/87/560646987.db2.gz WJVVIBHURONGKK-DUEVJXGLSA-N 0 0 410.838 5.364 40 5 HKBBRN O=[N+]([O-])c1ccc(CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1 ZINC000408861496 560648110 /nfs/dbraw/zinc/64/81/10/560648110.db2.gz SCWVREPQWDCIKQ-UHFFFAOYSA-N 0 0 412.254 5.156 40 5 HKBBRN O=[N+]([O-])c1cccc(CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c1 ZINC000408869941 559229073 /nfs/dbraw/zinc/22/90/73/559229073.db2.gz RHFAABDRBRRYTI-UHFFFAOYSA-N 0 0 412.254 5.156 40 5 HKBBRN O=C1S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1c1ccccc1 ZINC000408902631 560652188 /nfs/dbraw/zinc/65/21/88/560652188.db2.gz PAGAPXHSILKEPM-LDADJPATSA-N 0 0 419.418 5.023 40 5 HKBBRN Cc1ccc(SCCNC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000408905977 560651955 /nfs/dbraw/zinc/65/19/55/560651955.db2.gz BOYNZZLPYNYARP-HAVVHWLPSA-N 0 0 418.518 5.352 40 5 HKBBRN COc1ccc(Cl)cc1NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000408906292 560652011 /nfs/dbraw/zinc/65/20/11/560652011.db2.gz FSYKAGHUSYGQIZ-CPNJWEJPSA-N 0 0 408.841 5.436 40 5 HKBBRN Cc1cc(CSc2ccccc2)ccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000408906626 558728403 /nfs/dbraw/zinc/72/84/03/558728403.db2.gz CLPWDODBUYVQOM-UHFFFAOYSA-N 0 0 423.450 5.356 40 5 HKBBRN O=C(Nc1ccc(Br)cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000408906881 560651981 /nfs/dbraw/zinc/65/19/81/560651981.db2.gz JURDBGJKTWYVOW-XSFVSMFZSA-N 0 0 423.266 5.537 40 5 HKBBRN O=C(NCCSc1ccccc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000408906950 558728438 /nfs/dbraw/zinc/72/84/38/558728438.db2.gz KYVRLEFAVFYTCF-OQKWZONESA-N 0 0 404.491 5.044 40 5 HKBBRN O=C(NCCSCc1ccccc1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000408906965 560651986 /nfs/dbraw/zinc/65/19/86/560651986.db2.gz LDRIOJCQPBASAI-HAVVHWLPSA-N 0 0 418.518 5.185 40 5 HKBBRN O=C(Nc1cccc(C(F)(F)F)c1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000408907026 560652159 /nfs/dbraw/zinc/65/21/59/560652159.db2.gz FZGRBJIQRJQGIY-DEDYPNTBSA-N 0 0 412.367 5.793 40 5 HKBBRN O=C(NCCSc1ccccc1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000408907503 560652160 /nfs/dbraw/zinc/65/21/60/560652160.db2.gz PMHURUYXAJDKSE-OQKWZONESA-N 0 0 404.491 5.044 40 5 HKBBRN O=C(Nc1ccccc1C(F)(F)F)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000408908573 560652749 /nfs/dbraw/zinc/65/27/49/560652749.db2.gz WIRKTJXFDYLDQR-NBVRZTHBSA-N 0 0 412.367 5.793 40 5 HKBBRN O=C(Nc1cccc(Br)c1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000408908678 559231230 /nfs/dbraw/zinc/23/12/30/559231230.db2.gz XTAVJWGSVQCQCW-DEDYPNTBSA-N 0 0 423.266 5.537 40 5 HKBBRN O=C(Nc1cccc(C(F)(F)F)c1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000408910357 558730541 /nfs/dbraw/zinc/73/05/41/558730541.db2.gz KGTVLGLOSNAXHF-DEDYPNTBSA-N 0 0 412.367 5.793 40 5 HKBBRN Cc1ccc(SCCNC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000408911890 560653336 /nfs/dbraw/zinc/65/33/36/560653336.db2.gz OVXUZJPMIUTUQS-HAVVHWLPSA-N 0 0 418.518 5.352 40 5 HKBBRN O=C(Nc1ccc(CSc2ccccc2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000408914753 560653924 /nfs/dbraw/zinc/65/39/24/560653924.db2.gz XKIZHXYUDIZYJA-UHFFFAOYSA-N 0 0 409.423 5.048 40 5 HKBBRN CC(C)n1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c2ccccc21 ZINC000408918083 560654426 /nfs/dbraw/zinc/65/44/26/560654426.db2.gz FWFCIQVHLOYGCG-RGVLZGJSSA-N 0 0 421.478 5.367 40 5 HKBBRN O=C(NCCSCc1ccccc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000408923355 558748691 /nfs/dbraw/zinc/74/86/91/558748691.db2.gz WKUIJZWGZRAAAN-HAVVHWLPSA-N 0 0 418.518 5.185 40 5 HKBBRN Cc1cc(CSc2ccccc2)ccc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000408924473 560654876 /nfs/dbraw/zinc/65/48/76/560654876.db2.gz JCFLDAGZBHJCQT-GXDHUFHOSA-N 0 0 404.491 5.847 40 5 HKBBRN COc1ccc(NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1Cl ZINC000408924544 558749185 /nfs/dbraw/zinc/74/91/85/558749185.db2.gz JUKNKVTYVPMHJV-CPNJWEJPSA-N 0 0 408.841 5.436 40 5 HKBBRN O=C(Nc1cccc(Br)c1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000408924718 560655029 /nfs/dbraw/zinc/65/50/29/560655029.db2.gz LTUZLTVMDODSKJ-DEDYPNTBSA-N 0 0 423.266 5.537 40 5 HKBBRN COc1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1Cl ZINC000408927007 560654840 /nfs/dbraw/zinc/65/48/40/560654840.db2.gz XJJYTUDUBZRFGP-CPNJWEJPSA-N 0 0 408.841 5.436 40 5 HKBBRN O=C1OC(c2sc3cc(Cl)ccc3c2Cl)=N/C1=C\c1ccccc1[N+](=O)[O-] ZINC000408971377 558799479 /nfs/dbraw/zinc/79/94/79/558799479.db2.gz NKQDRDHARJYENG-GHXNOFRVSA-N 0 0 419.245 5.461 40 5 HKBBRN CN(C(=O)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)c1ccccc1 ZINC000408973908 560659879 /nfs/dbraw/zinc/65/98/79/560659879.db2.gz CMRQCHBNOZVXOE-UHFFFAOYSA-N 0 0 415.456 5.156 40 5 HKBBRN O=C(Nc1cccc2ccccc21)c1ccc2sc3nc4ccccc4nc3c2c1 ZINC000408974471 558813484 /nfs/dbraw/zinc/81/34/84/558813484.db2.gz AEYAQJYUUFXKIF-UHFFFAOYSA-N 0 0 405.482 6.403 40 5 HKBBRN COc1ccc(N(C)C(=S)Nc2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1 ZINC000408974568 558813468 /nfs/dbraw/zinc/81/34/68/558813468.db2.gz BMJSGBJUWKBSMC-UHFFFAOYSA-N 0 0 413.506 5.106 40 5 HKBBRN S=C(Nc1ccc2nc3c4ncccc4c4cccnc4c3nc2c1)N1CCCCC1 ZINC000408974766 558813473 /nfs/dbraw/zinc/81/34/73/558813473.db2.gz DRSKKQKMYQGHHY-UHFFFAOYSA-N 0 0 424.533 5.062 40 5 HKBBRN CN(C(=S)Nc1ccc2sc3nc4ccccc4nc3c2c1)c1ccccc1 ZINC000408974773 560660030 /nfs/dbraw/zinc/66/00/30/560660030.db2.gz DVMQASCAACJHFS-UHFFFAOYSA-N 0 0 400.532 5.831 40 5 HKBBRN CC(C)(C)CC(C)(C)NC(=S)Nc1ccc2sc3nc4ccccc4nc3c2c1 ZINC000408974803 560660057 /nfs/dbraw/zinc/66/00/57/560660057.db2.gz DZNXAGNVVSOFBL-UHFFFAOYSA-N 0 0 422.623 6.499 40 5 HKBBRN CCCN(Cc1ccccc1)C(=O)c1ccc2sc3nc4ccccc4nc3c2c1 ZINC000408974934 560660068 /nfs/dbraw/zinc/66/00/68/560660068.db2.gz GDLPNKZGEQNWQT-UHFFFAOYSA-N 0 0 411.530 6.050 40 5 HKBBRN O=C(Nc1ccccc1F)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 ZINC000408974987 558813453 /nfs/dbraw/zinc/81/34/53/558813453.db2.gz IGPXPMCHYNIXSM-UHFFFAOYSA-N 0 0 419.419 5.271 40 5 HKBBRN O=C(Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)NC1CCCCC1 ZINC000408975029 558813456 /nfs/dbraw/zinc/81/34/56/558813456.db2.gz ISGHZDCKNFKFMZ-UHFFFAOYSA-N 0 0 422.492 5.334 40 5 HKBBRN O=C(Nc1ccccc1)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 ZINC000408975064 558813474 /nfs/dbraw/zinc/81/34/74/558813474.db2.gz JMCRCCVRJRZEJG-UHFFFAOYSA-N 0 0 401.429 5.132 40 5 HKBBRN CC(C)(C)CC(C)(C)NC(=S)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1 ZINC000408975200 560660202 /nfs/dbraw/zinc/66/02/02/560660202.db2.gz JANAFOGZGVLAJB-UHFFFAOYSA-N 0 0 405.571 5.766 40 5 HKBBRN S=C(Nc1cccc(Br)c1)Nc1cc2ncccc2c2cccnc12 ZINC000408975282 560660206 /nfs/dbraw/zinc/66/02/06/560660206.db2.gz LULJSYPSSNPRDS-UHFFFAOYSA-N 0 0 409.312 5.354 40 5 HKBBRN CC(C)(C)c1ccc(OC(=O)c2ccc3sc4nc5ccccc5nc4c3c2)cc1 ZINC000408975425 558813623 /nfs/dbraw/zinc/81/36/23/558813623.db2.gz JZWQPAKYIKNLLZ-UHFFFAOYSA-N 0 0 412.514 6.514 40 5 HKBBRN CC(C)N(C(=O)c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1)C(C)C ZINC000408975429 558813606 /nfs/dbraw/zinc/81/36/06/558813606.db2.gz KEDJXTVEHGAFTF-UHFFFAOYSA-N 0 0 409.493 5.138 40 5 HKBBRN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc2[nH]c3nc4ccccc4nc3c2c1 ZINC000408975492 560660223 /nfs/dbraw/zinc/66/02/23/560660223.db2.gz LCKXKEDFRXAMIT-UHFFFAOYSA-N 0 0 406.367 5.535 40 5 HKBBRN S=C(Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)N1CCCCC1 ZINC000408975519 560660300 /nfs/dbraw/zinc/66/03/00/560660300.db2.gz MJYXWXWABUNVQI-UHFFFAOYSA-N 0 0 424.533 5.062 40 5 HKBBRN Cc1ccc(OC(=O)c2ccc3nc4c5ncccc5c5cccnc5c4nc3c2)cc1 ZINC000408975752 558815055 /nfs/dbraw/zinc/81/50/55/558815055.db2.gz MQKWTAKEGJPQMX-UHFFFAOYSA-N 0 0 416.440 5.407 40 5 HKBBRN Cc1ccc(OC(=O)c2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1 ZINC000408975822 558815808 /nfs/dbraw/zinc/81/58/08/558815808.db2.gz NYDOVDGFGLLECS-UHFFFAOYSA-N 0 0 416.440 5.407 40 5 HKBBRN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc2sc3nc4ccccc4nc3c2c1 ZINC000408975988 560660414 /nfs/dbraw/zinc/66/04/14/560660414.db2.gz OIXXJBIJLWQAJT-UHFFFAOYSA-N 0 0 423.419 6.269 40 5 HKBBRN COC(=O)c1ccc(NC(=O)c2ccc3sc4nc5ccccc5nc4c3c2)cc1 ZINC000408976032 558819777 /nfs/dbraw/zinc/81/97/77/558819777.db2.gz OQLVLRLIHFNIHX-UHFFFAOYSA-N 0 0 413.458 5.037 40 5 HKBBRN O=C(Nc1ccc(F)cc1)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 ZINC000408976085 560660382 /nfs/dbraw/zinc/66/03/82/560660382.db2.gz OZKPBSRYCUSWLR-UHFFFAOYSA-N 0 0 419.419 5.271 40 5 HKBBRN O=C(c1ccc2sc3nc4ccccc4nc3c2c1)N1CC[C@@H](c2ccccc2)C1 ZINC000408976729 560660464 /nfs/dbraw/zinc/66/04/64/560660464.db2.gz SQDYMDLRIJTSRG-GOSISDBHSA-N 0 0 409.514 5.627 40 5 HKBBRN O=C(c1ccc2sc3nc4ccccc4nc3c2c1)N1CC[C@H](c2ccccc2)C1 ZINC000408976730 560660453 /nfs/dbraw/zinc/66/04/53/560660453.db2.gz SQDYMDLRIJTSRG-SFHVURJKSA-N 0 0 409.514 5.627 40 5 HKBBRN CC1CCN(C(=O)Nc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)CC1 ZINC000408977373 558822744 /nfs/dbraw/zinc/82/27/44/558822744.db2.gz VQLFNWUCODKOEN-UHFFFAOYSA-N 0 0 422.492 5.143 40 5 HKBBRN O=C(Nc1cccc(Br)c1)c1ccc2[nH]c3nc4ccccc4nc3c2c1 ZINC000408977661 560660663 /nfs/dbraw/zinc/66/06/63/560660663.db2.gz XOWKMLQAFQGUSP-UHFFFAOYSA-N 0 0 417.266 5.279 40 5 HKBBRN CN(C(=O)c1ccc2[nH]c3nc4ccccc4nc3c2c1)c1ccc2ccccc2c1 ZINC000408977675 558822832 /nfs/dbraw/zinc/82/28/32/558822832.db2.gz XQJUTMURNADATG-UHFFFAOYSA-N 0 0 402.457 5.694 40 5 HKBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2sc3nc4ccccc4nc3c2c1 ZINC000408977893 560660665 /nfs/dbraw/zinc/66/06/65/560660665.db2.gz YUGPYHAEZYFNNV-UHFFFAOYSA-N 0 0 400.419 5.158 40 5 HKBBRN O=C(Nc1ccc2ccccc2c1)c1ccc2sc3nc4ccccc4nc3c2c1 ZINC000408977896 558824255 /nfs/dbraw/zinc/82/42/55/558824255.db2.gz YUJKDSWPRIINDD-UHFFFAOYSA-N 0 0 405.482 6.403 40 5 HKBBRN CN(C(=O)c1ccc2sc3nc4ccccc4nc3c2c1)c1ccc2ccccc2c1 ZINC000408977940 558824263 /nfs/dbraw/zinc/82/42/63/558824263.db2.gz ZUERVSCGQGXYBA-UHFFFAOYSA-N 0 0 419.509 6.428 40 5 HKBBRN S=C(NCCC1=CCCCC1)Nc1ccc2sc3nc4ccccc4nc3c2c1 ZINC000408977946 560660698 /nfs/dbraw/zinc/66/06/98/560660698.db2.gz ZYEDTLYWTCXGAI-UHFFFAOYSA-N 0 0 418.591 6.175 40 5 HKBBRN O=c1[nH]c(-c2ccc(-c3cccc([N+](=O)[O-])c3)o2)nc2sc3c(c21)CCCCCC3 ZINC000408987586 560661870 /nfs/dbraw/zinc/66/18/70/560661870.db2.gz FUHCBDORKUJOME-UHFFFAOYSA-N 0 0 421.478 5.891 40 5 HKBBRN CCCCN1C(=O)c2cccc3c(Nc4ccccc4Cl)c([N+](=O)[O-])cc(c23)C1=O ZINC000408991378 558851328 /nfs/dbraw/zinc/85/13/28/558851328.db2.gz NPKKTGLZBVRDCM-UHFFFAOYSA-N 0 0 423.856 5.541 40 5 HKBBRN O=C(Nc1ccc2[nH]c3nc4ccccc4nc3c2c1)Nc1cccc2ccccc21 ZINC000408992328 560662358 /nfs/dbraw/zinc/66/23/58/560662358.db2.gz ACLUURGRIICHAM-UHFFFAOYSA-N 0 0 403.445 6.062 40 5 HKBBRN Cc1ccc(N(C)C(=O)Nc2ccc3sc4nc5ccccc5nc4c3c2)cc1C ZINC000408992381 560662351 /nfs/dbraw/zinc/66/23/51/560662351.db2.gz AVHUJRDIMIEZEQ-UHFFFAOYSA-N 0 0 412.518 6.283 40 5 HKBBRN O=c1[nH]c(-c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)nc2sc3c(c21)CCCCC3 ZINC000408992866 558852204 /nfs/dbraw/zinc/85/22/04/558852204.db2.gz UUGNPBRARMHDAG-UHFFFAOYSA-N 0 0 407.451 5.501 40 5 HKBBRN CCOc1ccc(NC(=O)Nc2ccc3sc4nc5ccccc5nc4c3c2)cc1 ZINC000408993218 558852393 /nfs/dbraw/zinc/85/23/93/558852393.db2.gz CTSHLOJVISARBG-UHFFFAOYSA-N 0 0 414.490 6.040 40 5 HKBBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000408993396 558852598 /nfs/dbraw/zinc/85/25/98/558852598.db2.gz DODMMOLPHSUWBP-BAGYTPMASA-N 0 0 421.294 5.828 40 5 HKBBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1cccc(Br)c1)N2 ZINC000408993398 559235954 /nfs/dbraw/zinc/23/59/54/559235954.db2.gz DODMMOLPHSUWBP-BVSLBCMMSA-N 0 0 421.294 5.828 40 5 HKBBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1cccc(Br)c1)N2 ZINC000408993400 558852517 /nfs/dbraw/zinc/85/25/17/558852517.db2.gz DODMMOLPHSUWBP-HJNYFJLDSA-N 0 0 421.294 5.828 40 5 HKBBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000408993402 560663038 /nfs/dbraw/zinc/66/30/38/560663038.db2.gz DODMMOLPHSUWBP-ILWGZMRPSA-N 0 0 421.294 5.828 40 5 HKBBRN O=c1[nH]c(-c2ccc(-c3cccc([N+](=O)[O-])c3)o2)nc2sc3c(c21)CCCCC3 ZINC000408993580 560663054 /nfs/dbraw/zinc/66/30/54/560663054.db2.gz WNTGGHNPWHOBPH-UHFFFAOYSA-N 0 0 407.451 5.501 40 5 HKBBRN Cc1sc2nc(-c3ccc(Sc4ccccn4)c([N+](=O)[O-])c3)[nH]c(=O)c2c1C ZINC000408993823 559235996 /nfs/dbraw/zinc/23/59/96/559235996.db2.gz WZZCJSYURNABIE-UHFFFAOYSA-N 0 0 410.480 5.135 40 5 HKBBRN COc1cccc(NC(=O)Nc2ccc3sc4nc5ccccc5nc4c3c2)c1 ZINC000408994431 558852729 /nfs/dbraw/zinc/85/27/29/558852729.db2.gz HNILAACXLULJFY-UHFFFAOYSA-N 0 0 400.463 5.650 40 5 HKBBRN COc1cc2nc3ccc(NC(=S)Nc4ccc(C)c(C)c4)cc3nc2cc1OC ZINC000408995031 560663282 /nfs/dbraw/zinc/66/32/82/560663282.db2.gz KVQWFYMNTZMQFT-UHFFFAOYSA-N 0 0 418.522 5.226 40 5 HKBBRN CCCN1C(=O)c2cccc3c(Nc4ccccc4Cl)c([N+](=O)[O-])cc(c23)C1=O ZINC000408995241 560662513 /nfs/dbraw/zinc/66/25/13/560662513.db2.gz LKOWMLKYKKPJDK-UHFFFAOYSA-N 0 0 409.829 5.151 40 5 HKBBRN CC(C)(C)CC(C)(C)NC(=S)Nc1ccc2nc3cc4c(cc3nc2c1)OCCO4 ZINC000408995597 558852760 /nfs/dbraw/zinc/85/27/60/558852760.db2.gz BLLZBSZXCJNPSS-UHFFFAOYSA-N 0 0 424.570 5.055 40 5 HKBBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1c(Cl)cccc1Cl)N2 ZINC000408995760 558852892 /nfs/dbraw/zinc/85/28/92/558852892.db2.gz NFQIUEXHDOSLEQ-BUKVSMQUSA-N 0 0 411.288 6.373 40 5 HKBBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2 ZINC000408995762 560662626 /nfs/dbraw/zinc/66/26/26/560662626.db2.gz NFQIUEXHDOSLEQ-BUVFEPMLSA-N 0 0 411.288 6.373 40 5 HKBBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1c(Cl)cccc1Cl)N2 ZINC000408995763 558852905 /nfs/dbraw/zinc/85/29/05/558852905.db2.gz NFQIUEXHDOSLEQ-QGCDCVKKSA-N 0 0 411.288 6.373 40 5 HKBBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1c(Cl)cccc1Cl)N2 ZINC000408995765 559236005 /nfs/dbraw/zinc/23/60/05/559236005.db2.gz NFQIUEXHDOSLEQ-XUEUYAKLSA-N 0 0 411.288 6.373 40 5 HKBBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000408996064 558852878 /nfs/dbraw/zinc/85/28/78/558852878.db2.gz KVDHFXXRFBKMCW-BAGYTPMASA-N 0 0 421.294 5.828 40 5 HKBBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000408996065 560662738 /nfs/dbraw/zinc/66/27/38/560662738.db2.gz KVDHFXXRFBKMCW-BVSLBCMMSA-N 0 0 421.294 5.828 40 5 HKBBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000408996067 560662710 /nfs/dbraw/zinc/66/27/10/560662710.db2.gz KVDHFXXRFBKMCW-HJNYFJLDSA-N 0 0 421.294 5.828 40 5 HKBBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000408996069 560662733 /nfs/dbraw/zinc/66/27/33/560662733.db2.gz KVDHFXXRFBKMCW-ILWGZMRPSA-N 0 0 421.294 5.828 40 5 HKBBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1ccc3c4c(cccc41)CC3)N2 ZINC000408996073 558852891 /nfs/dbraw/zinc/85/28/91/558852891.db2.gz KVXIPELSYJJADM-FQLPYIGMSA-N 0 0 418.496 6.318 40 5 HKBBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1ccc3c4c(cccc41)CC3)N2 ZINC000408996075 558852877 /nfs/dbraw/zinc/85/28/77/558852877.db2.gz KVXIPELSYJJADM-KGPYPHOUSA-N 0 0 418.496 6.318 40 5 HKBBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1ccc3c4c(cccc41)CC3)N2 ZINC000408996078 560662745 /nfs/dbraw/zinc/66/27/45/560662745.db2.gz KVXIPELSYJJADM-SAAIGDAKSA-N 0 0 418.496 6.318 40 5 HKBBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1ccc3c4c(cccc41)CC3)N2 ZINC000408996080 560662720 /nfs/dbraw/zinc/66/27/20/560662720.db2.gz KVXIPELSYJJADM-WIRXVTQYSA-N 0 0 418.496 6.318 40 5 HKBBRN CCCN(Cc1ccccc1)C(=O)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1 ZINC000408996115 560662718 /nfs/dbraw/zinc/66/27/18/560662718.db2.gz KYWSNQDOTYSISR-UHFFFAOYSA-N 0 0 409.493 5.708 40 5 HKBBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000408996676 560662806 /nfs/dbraw/zinc/66/28/06/560662806.db2.gz MJHXTNCALPXFBZ-BULFRSBZSA-N 0 0 411.288 6.373 40 5 HKBBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000408996677 560662835 /nfs/dbraw/zinc/66/28/35/560662835.db2.gz MJHXTNCALPXFBZ-HSQYWUDLSA-N 0 0 411.288 6.373 40 5 HKBBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000408996678 558852900 /nfs/dbraw/zinc/85/29/00/558852900.db2.gz MJHXTNCALPXFBZ-VOQZNFBZSA-N 0 0 411.288 6.373 40 5 HKBBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000408996679 560662822 /nfs/dbraw/zinc/66/28/22/560662822.db2.gz MJHXTNCALPXFBZ-WTNAPCKOSA-N 0 0 411.288 6.373 40 5 HKBBRN O=C(Nc1ccc2[nH]c3nc4ccccc4nc3c2c1)N1CC[C@H](c2ccccc2)C1 ZINC000408997023 558853176 /nfs/dbraw/zinc/85/31/76/558853176.db2.gz FZZOFFSHMQTBCV-KRWDZBQOSA-N 0 0 407.477 5.286 40 5 HKBBRN O=C(Nc1ccc2[nH]c3nc4ccccc4nc3c2c1)N1CC[C@@H](c2ccccc2)C1 ZINC000408997026 560662821 /nfs/dbraw/zinc/66/28/21/560662821.db2.gz FZZOFFSHMQTBCV-QGZVFWFLSA-N 0 0 407.477 5.286 40 5 HKBBRN O=C(Nc1ccc2sc3nc4ccccc4nc3c2c1)Nc1ccc2ccccc2c1 ZINC000408997057 560662823 /nfs/dbraw/zinc/66/28/23/560662823.db2.gz QIZBTAMNJDFRIM-UHFFFAOYSA-N 0 0 420.497 6.795 40 5 HKBBRN O=c1nc(-c2c3ccccc3cc3ccccc32)[nH]c2sc3c(c21)CCCCCC3 ZINC000408997755 560662740 /nfs/dbraw/zinc/66/27/40/560662740.db2.gz HPJMAEGJZKLFGC-UHFFFAOYSA-N 0 0 410.542 7.029 40 5 HKBBRN O=[N+]([O-])c1ccc2c(c1)[C@H]1c3ccccc3C[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 ZINC000408997979 559235964 /nfs/dbraw/zinc/23/59/64/559235964.db2.gz PLQKKNKXOCCLRZ-BWAGFHJFSA-N 0 0 421.840 5.627 40 5 HKBBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 ZINC000408997982 560663341 /nfs/dbraw/zinc/66/33/41/560663341.db2.gz PLQKKNKXOCCLRZ-COPCDDAFSA-N 0 0 421.840 5.627 40 5 HKBBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 ZINC000408997984 560663331 /nfs/dbraw/zinc/66/33/31/560663331.db2.gz PLQKKNKXOCCLRZ-NYVOZVTQSA-N 0 0 421.840 5.627 40 5 HKBBRN O=[N+]([O-])c1ccc2c(c1)[C@H]1c3ccccc3C[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 ZINC000408997986 558853756 /nfs/dbraw/zinc/85/37/56/558853756.db2.gz PLQKKNKXOCCLRZ-QIJUGHKUSA-N 0 0 421.840 5.627 40 5 HKBBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000408998033 558853751 /nfs/dbraw/zinc/85/37/51/558853751.db2.gz HSOYYQIWZKLCTE-BVYCBKJFSA-N 0 0 411.288 6.373 40 5 HKBBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2 ZINC000408998034 560663354 /nfs/dbraw/zinc/66/33/54/560663354.db2.gz HSOYYQIWZKLCTE-COPCDDAFSA-N 0 0 411.288 6.373 40 5 HKBBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2 ZINC000408998036 560663343 /nfs/dbraw/zinc/66/33/43/560663343.db2.gz HSOYYQIWZKLCTE-NYVOZVTQSA-N 0 0 411.288 6.373 40 5 HKBBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000408998038 560663336 /nfs/dbraw/zinc/66/33/36/560663336.db2.gz HSOYYQIWZKLCTE-YUXAGFNASA-N 0 0 411.288 6.373 40 5 HKBBRN COc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3c4ccccc4C[C@H]32)cc1OC ZINC000408998306 558853727 /nfs/dbraw/zinc/85/37/27/558853727.db2.gz ISXHNJVIKZMHBM-FOVJLYNBSA-N 0 0 402.450 5.083 40 5 HKBBRN COc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3c4ccccc4C[C@@H]32)cc1OC ZINC000408998311 560663376 /nfs/dbraw/zinc/66/33/76/560663376.db2.gz ISXHNJVIKZMHBM-IEXUWNMDSA-N 0 0 402.450 5.083 40 5 HKBBRN COc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3c4ccccc4C[C@@H]32)cc1OC ZINC000408998316 560663328 /nfs/dbraw/zinc/66/33/28/560663328.db2.gz ISXHNJVIKZMHBM-IGKWTDBASA-N 0 0 402.450 5.083 40 5 HKBBRN COc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3c4ccccc4C[C@H]32)cc1OC ZINC000408998322 560663384 /nfs/dbraw/zinc/66/33/84/560663384.db2.gz ISXHNJVIKZMHBM-YGOYIFOWSA-N 0 0 402.450 5.083 40 5 HKBBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1cccc(C(F)(F)F)c1)N2 ZINC000408999532 560663683 /nfs/dbraw/zinc/66/36/83/560663683.db2.gz WVIBIKIEZBNONT-BAGYTPMASA-N 0 0 410.395 6.085 40 5 HKBBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1cccc(C(F)(F)F)c1)N2 ZINC000408999538 558854254 /nfs/dbraw/zinc/85/42/54/558854254.db2.gz WVIBIKIEZBNONT-BVSLBCMMSA-N 0 0 410.395 6.085 40 5 HKBBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1cccc(C(F)(F)F)c1)N2 ZINC000408999543 559236015 /nfs/dbraw/zinc/23/60/15/559236015.db2.gz WVIBIKIEZBNONT-HJNYFJLDSA-N 0 0 410.395 6.085 40 5 HKBBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1cccc(C(F)(F)F)c1)N2 ZINC000408999548 558854220 /nfs/dbraw/zinc/85/42/20/558854220.db2.gz WVIBIKIEZBNONT-ILWGZMRPSA-N 0 0 410.395 6.085 40 5 HKBBRN O=C(Nc1ccc2sc3nc4ccccc4nc3c2c1)Nc1cccc2ccccc21 ZINC000409000565 560663759 /nfs/dbraw/zinc/66/37/59/560663759.db2.gz TYSVTDNPGPPFEG-UHFFFAOYSA-N 0 0 420.497 6.795 40 5 HKBBRN COc1ccc(NC(=O)Nc2ccc3sc4nc5ccccc5nc4c3c2)cc1 ZINC000409003192 560664843 /nfs/dbraw/zinc/66/48/43/560664843.db2.gz YMILDHYVYFVZNW-UHFFFAOYSA-N 0 0 400.463 5.650 40 5 HKBBRN O=C1S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1CCc1ccccc1 ZINC000409004918 558857236 /nfs/dbraw/zinc/85/72/36/558857236.db2.gz CEHZFNIZXNXQQU-ZHZULCJRSA-N 0 0 420.446 5.134 40 5 HKBBRN O=C1S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1CCc1ccccc1 ZINC000409004940 560664267 /nfs/dbraw/zinc/66/42/67/560664267.db2.gz CKGAQIQNAXXRTN-ZHZULCJRSA-N 0 0 420.446 5.134 40 5 HKBBRN CC[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O ZINC000409010072 559237338 /nfs/dbraw/zinc/23/73/38/559237338.db2.gz DESOTBWQOWXDHL-BXUJETTOSA-N 0 0 412.467 5.009 40 5 HKBBRN CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O ZINC000409010075 560665252 /nfs/dbraw/zinc/66/52/52/560665252.db2.gz DESOTBWQOWXDHL-ONDHQXCVSA-N 0 0 412.467 5.009 40 5 HKBBRN CC[C@H](C)N1C(=O)S/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000409012793 559236987 /nfs/dbraw/zinc/23/69/87/559236987.db2.gz KUBOFJHKRSTMEI-BXUJETTOSA-N 0 0 412.467 5.009 40 5 HKBBRN CC[C@@H](C)N1C(=O)S/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000409012794 558858357 /nfs/dbraw/zinc/85/83/57/558858357.db2.gz KUBOFJHKRSTMEI-ONDHQXCVSA-N 0 0 412.467 5.009 40 5 HKBBRN CC[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O ZINC000409015750 560666494 /nfs/dbraw/zinc/66/64/94/560666494.db2.gz SBUDIHVXKNQILD-JSJZUPIVSA-N 0 0 406.847 5.343 40 5 HKBBRN CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O ZINC000409015752 559237141 /nfs/dbraw/zinc/23/71/41/559237141.db2.gz SBUDIHVXKNQILD-VCBXAZPMSA-N 0 0 406.847 5.343 40 5 HKBBRN CC[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O ZINC000409017921 558860916 /nfs/dbraw/zinc/86/09/16/558860916.db2.gz GLGPGJIHVGLITA-JSJZUPIVSA-N 0 0 406.847 5.343 40 5 HKBBRN CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O ZINC000409017923 560666037 /nfs/dbraw/zinc/66/60/37/560666037.db2.gz GLGPGJIHVGLITA-VCBXAZPMSA-N 0 0 406.847 5.343 40 5 HKBBRN CC[C@H](C)N1C(=O)S/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C1=O ZINC000409018836 560666300 /nfs/dbraw/zinc/66/63/00/560666300.db2.gz ZLYCMSIIYMGVKF-BXUJETTOSA-N 0 0 412.467 5.009 40 5 HKBBRN CC[C@@H](C)N1C(=O)S/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C1=O ZINC000409018839 560666344 /nfs/dbraw/zinc/66/63/44/560666344.db2.gz ZLYCMSIIYMGVKF-ONDHQXCVSA-N 0 0 412.467 5.009 40 5 HKBBRN O=C1S/C(=C\c2ccc(-c3cccc(F)c3)o2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000409020419 558862083 /nfs/dbraw/zinc/86/20/83/558862083.db2.gz PBBWNKDJXNCLMO-ODLFYWEKSA-N 0 0 424.409 5.230 40 5 HKBBRN CC[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C1=O ZINC000409021239 559239077 /nfs/dbraw/zinc/23/90/77/559239077.db2.gz ZJJJRPWJVROIIY-BXUJETTOSA-N 0 0 412.467 5.009 40 5 HKBBRN CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C1=O ZINC000409021240 558862128 /nfs/dbraw/zinc/86/21/28/558862128.db2.gz ZJJJRPWJVROIIY-ONDHQXCVSA-N 0 0 412.467 5.009 40 5 HKBBRN CC(C)N1C(=O)S/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C1=O ZINC000409022588 560667022 /nfs/dbraw/zinc/66/70/22/560667022.db2.gz BRTGOLUPJNZMLY-RGVLZGJSSA-N 0 0 421.478 5.043 40 5 HKBBRN O=C(NCCSC1CCCCC1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000409025984 560668020 /nfs/dbraw/zinc/66/80/20/560668020.db2.gz CRZICJIPLNMBQB-OQKWZONESA-N 0 0 410.539 5.318 40 5 HKBBRN O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccccc2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000409051259 558897823 /nfs/dbraw/zinc/89/78/23/558897823.db2.gz BEMFCSRLGCKTCB-UHFFFAOYSA-N 0 0 419.437 5.777 40 5 HKBBRN O=C(Nc1nc(-c2cccs2)c(-c2ccccc2)s1)c1cccc([N+](=O)[O-])c1 ZINC000409051347 560670092 /nfs/dbraw/zinc/67/00/92/560670092.db2.gz LAXJEGBVZJRTMN-UHFFFAOYSA-N 0 0 407.476 5.699 40 5 HKBBRN O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1cccnc1 ZINC000409052546 560669519 /nfs/dbraw/zinc/66/95/19/560669519.db2.gz KDNAWMHKECEVMI-UHFFFAOYSA-N 0 0 420.425 5.172 40 5 HKBBRN O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccccc2)s1)c1ccccc1[N+](=O)[O-] ZINC000409052798 558898662 /nfs/dbraw/zinc/89/86/62/558898662.db2.gz IFMUANIDSDQAJQ-UHFFFAOYSA-N 0 0 419.437 5.777 40 5 HKBBRN O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccccc2)s1)c1cccc([N+](=O)[O-])c1 ZINC000409053058 560669653 /nfs/dbraw/zinc/66/96/53/560669653.db2.gz JRHMHFJQDJSZDT-UHFFFAOYSA-N 0 0 419.437 5.777 40 5 HKBBRN O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccco1 ZINC000409053222 558898615 /nfs/dbraw/zinc/89/86/15/558898615.db2.gz NDCMVZWKRIIPTA-UHFFFAOYSA-N 0 0 409.398 5.370 40 5 HKBBRN O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1 ZINC000409053587 560671190 /nfs/dbraw/zinc/67/11/90/560671190.db2.gz NJBNJOKTPFFECE-UHFFFAOYSA-N 0 0 419.437 5.777 40 5 HKBBRN O=C(Nc1nc(-c2cccs2)c(-c2ccccc2)s1)c1ccccc1[N+](=O)[O-] ZINC000409053857 558898631 /nfs/dbraw/zinc/89/86/31/558898631.db2.gz RCCWNFYHIFUEPC-UHFFFAOYSA-N 0 0 407.476 5.699 40 5 HKBBRN CCN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C1=O ZINC000409064357 558900507 /nfs/dbraw/zinc/90/05/07/558900507.db2.gz GVHWFLHZRJILIL-LHHJGKSTSA-N 0 0 413.238 5.218 40 5 HKBBRN CCCCN1C(=O)S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C1=O ZINC000409066167 560672315 /nfs/dbraw/zinc/67/23/15/560672315.db2.gz HJHDYRUPUXJQLO-UYRXBGFRSA-N 0 0 412.467 5.010 40 5 HKBBRN CC(C)Cn1c(SCc2cccc([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1 ZINC000409084321 558928558 /nfs/dbraw/zinc/92/85/58/558928558.db2.gz COVWBIYSNQKOCA-UHFFFAOYSA-N 0 0 402.907 5.455 40 5 HKBBRN CC(C)Cn1c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nnc1-c1ccccc1 ZINC000409088437 559240152 /nfs/dbraw/zinc/24/01/52/559240152.db2.gz JMIXUQCZEKNTOP-UHFFFAOYSA-N 0 0 422.432 5.679 40 5 HKBBRN Cc1nnc(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1-c1ccc(Cl)cc1 ZINC000409088927 558929813 /nfs/dbraw/zinc/92/98/13/558929813.db2.gz LDPYGSYEYRGUJH-UHFFFAOYSA-N 0 0 414.796 5.307 40 5 HKBBRN CC(C)Cn1c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nnc1-c1ccncc1 ZINC000409090540 560675258 /nfs/dbraw/zinc/67/52/58/560675258.db2.gz RBYGSVLKLZRSNZ-UHFFFAOYSA-N 0 0 423.420 5.074 40 5 HKBBRN CCCn1c(Cc2ccccc2)nnc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409092064 560675363 /nfs/dbraw/zinc/67/53/63/560675363.db2.gz XIHYIQVLNFHGHE-UHFFFAOYSA-N 0 0 422.432 5.357 40 5 HKBBRN Cc1ccc(Sc2ccc([N+](=O)[O-])cc2/C=C2/Sc3ccccc3NC2=O)cc1 ZINC000409093952 560674599 /nfs/dbraw/zinc/67/45/99/560674599.db2.gz BWAGUWODDVSYLN-FYJGNVAPSA-N 0 0 420.515 6.140 40 5 HKBBRN CCCn1c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nnc1-c1ccccc1 ZINC000409094145 560674670 /nfs/dbraw/zinc/67/46/70/560674670.db2.gz CGPXQFNAFFIAQO-UHFFFAOYSA-N 0 0 408.405 5.433 40 5 HKBBRN Cn1c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000409094354 558931465 /nfs/dbraw/zinc/93/14/65/558931465.db2.gz DHDOSTRECGONDO-UHFFFAOYSA-N 0 0 414.796 5.214 40 5 HKBBRN O=C1Nc2ccccc2S/C1=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409096131 558931963 /nfs/dbraw/zinc/93/19/63/558931963.db2.gz JINUAZRVXIKNGP-BKUYFWCQSA-N 0 0 404.447 5.259 40 5 HKBBRN Cc1ccc(-n2c(Cc3ccccc3)nnc2SCc2cccc([N+](=O)[O-])c2)cc1 ZINC000409096280 558931850 /nfs/dbraw/zinc/93/18/50/558931850.db2.gz KHRPGVFNCIUCLH-UHFFFAOYSA-N 0 0 416.506 5.367 40 5 HKBBRN O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000409096894 560675865 /nfs/dbraw/zinc/67/58/65/560675865.db2.gz KXKRHPZZWHUNSV-GDNBJRDFSA-N 0 0 400.312 5.366 40 5 HKBBRN CCc1ccc(-n2c(SCc3cccc([N+](=O)[O-])c3)nnc2-c2ccccc2)cc1 ZINC000409099060 558932502 /nfs/dbraw/zinc/93/25/02/558932502.db2.gz PVFIOQQNRVJHQL-UHFFFAOYSA-N 0 0 416.506 5.697 40 5 HKBBRN Cc1cccc(-n2c(Cc3ccccc3)nnc2SCc2cccc([N+](=O)[O-])c2)c1 ZINC000409101893 558932672 /nfs/dbraw/zinc/93/26/72/558932672.db2.gz ZKONBPASJRMMPQ-UHFFFAOYSA-N 0 0 416.506 5.367 40 5 HKBBRN Cc1cccc(-n2c(SCc3cccc([N+](=O)[O-])c3)nnc2-c2ccccc2)c1 ZINC000409104336 560675615 /nfs/dbraw/zinc/67/56/15/560675615.db2.gz CYNQYWKJCZUCPZ-UHFFFAOYSA-N 0 0 402.479 5.443 40 5 HKBBRN O=C1Nc2ccccc2S/C1=C\c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000409104390 560675608 /nfs/dbraw/zinc/67/56/08/560675608.db2.gz YTWKTSPFVVAWEJ-BKUYFWCQSA-N 0 0 404.447 5.259 40 5 HKBBRN O=C1Nc2ccccc2S/C1=C/c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 ZINC000409105737 558933334 /nfs/dbraw/zinc/93/33/34/558933334.db2.gz LSXBSFNBDWJFQT-DEDYPNTBSA-N 0 0 406.488 5.831 40 5 HKBBRN CCOc1ccc(-n2c(C)nnc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000409106065 558933483 /nfs/dbraw/zinc/93/34/83/558933483.db2.gz MFRVOMMMHQBWPM-UHFFFAOYSA-N 0 0 424.404 5.053 40 5 HKBBRN O=C1Nc2ccccc2S/C1=C/c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000409106279 558934891 /nfs/dbraw/zinc/93/48/91/558934891.db2.gz QVWUALOAUKZTMI-DEDYPNTBSA-N 0 0 406.488 5.831 40 5 HKBBRN Cc1ccc(Sc2ccc(/C=C3/Sc4ccccc4NC3=O)cc2[N+](=O)[O-])cc1 ZINC000409106721 560678623 /nfs/dbraw/zinc/67/86/23/560678623.db2.gz TWSWUCUDHVICPW-FYJGNVAPSA-N 0 0 420.515 6.140 40 5 HKBBRN Cc1nnc(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1-c1ccc(C)c(C)c1 ZINC000409107074 558934993 /nfs/dbraw/zinc/93/49/93/558934993.db2.gz UNULKAGYRYLEMR-UHFFFAOYSA-N 0 0 408.405 5.271 40 5 HKBBRN O=C1Nc2ccccc2S/C1=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409108479 560678899 /nfs/dbraw/zinc/67/88/99/560678899.db2.gz ULHKDHIOFLCWAV-BKUYFWCQSA-N 0 0 404.447 5.259 40 5 HKBBRN CCc1ccc(-n2c(C)nnc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000409108516 558936371 /nfs/dbraw/zinc/93/63/71/558936371.db2.gz WKHWDMBHCOWOKT-UHFFFAOYSA-N 0 0 408.405 5.216 40 5 HKBBRN Cc1ccc(NCc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)c(C)c1 ZINC000409109460 558935519 /nfs/dbraw/zinc/93/55/19/558935519.db2.gz FICIBXOPIUKRRQ-UHFFFAOYSA-N 0 0 416.399 6.635 40 5 HKBBRN CCc1ccccc1NCc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000409109871 558935630 /nfs/dbraw/zinc/93/56/30/558935630.db2.gz NAKPRKHFFRAVST-UHFFFAOYSA-N 0 0 416.399 6.580 40 5 HKBBRN Cc1cccc(NCc2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)c1 ZINC000409110095 558935886 /nfs/dbraw/zinc/93/58/86/558935886.db2.gz RESCVERWSQNRIQ-UHFFFAOYSA-N 0 0 417.292 6.401 40 5 HKBBRN Cc1ccc(Cl)cc1NCc1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409110103 558935767 /nfs/dbraw/zinc/93/57/67/558935767.db2.gz RIFSBTXHZXEQJL-UHFFFAOYSA-N 0 0 417.292 6.401 40 5 HKBBRN Cc1cccc(NCc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)c1C ZINC000409110218 558935858 /nfs/dbraw/zinc/93/58/58/558935858.db2.gz ULMFXSOZAIOVCE-UHFFFAOYSA-N 0 0 416.399 6.635 40 5 HKBBRN O=C1Nc2ccccc2/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000409110543 560677847 /nfs/dbraw/zinc/67/78/47/560677847.db2.gz DWJZYDUJNOLEGH-WQRHYEAKSA-N 0 0 406.825 5.320 40 5 HKBBRN Cc1ccccc1NCc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000409110568 560677854 /nfs/dbraw/zinc/67/78/54/560677854.db2.gz WOKOEHJSXKATHB-UHFFFAOYSA-N 0 0 402.372 6.326 40 5 HKBBRN CCc1ccccc1NCc1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409110747 558936165 /nfs/dbraw/zinc/93/61/65/558936165.db2.gz GJXSKTGOGZGWDG-UHFFFAOYSA-N 0 0 416.399 6.580 40 5 HKBBRN Cc1cccc(NCc2cc(Cl)cc(Cl)c2OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000409110783 560677843 /nfs/dbraw/zinc/67/78/43/560677843.db2.gz YOVTUNODCNUUNG-UHFFFAOYSA-N 0 0 417.292 6.401 40 5 HKBBRN Cc1c(Cl)cccc1NCc1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409110873 558936380 /nfs/dbraw/zinc/93/63/80/558936380.db2.gz ZGKZCXZTNRQVKH-UHFFFAOYSA-N 0 0 417.292 6.401 40 5 HKBBRN O=[N+]([O-])c1ccc(COc2ccc(Br)cc2CNc2ccccc2)cc1 ZINC000409111093 560677894 /nfs/dbraw/zinc/67/78/94/560677894.db2.gz BQHOVSKWWUNNTC-UHFFFAOYSA-N 0 0 413.271 5.548 40 5 HKBBRN Cc1ccc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1Cl ZINC000409111316 558937022 /nfs/dbraw/zinc/93/70/22/558937022.db2.gz HSSKZUYVSQACHU-UHFFFAOYSA-N 0 0 417.292 6.401 40 5 HKBBRN Cc1c(Cl)cccc1NCc1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409111662 560678011 /nfs/dbraw/zinc/67/80/11/560678011.db2.gz DSCGQHCNORFOGL-UHFFFAOYSA-N 0 0 413.817 5.869 40 5 HKBBRN CCOc1cc(CNc2cccc(C)c2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409111952 560678078 /nfs/dbraw/zinc/67/80/78/560678078.db2.gz AVWDAWCVHYLQBV-UHFFFAOYSA-N 0 0 406.482 5.801 40 5 HKBBRN CCOc1cc(CNc2ccc(C)cc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409111994 560678091 /nfs/dbraw/zinc/67/80/91/560678091.db2.gz JLIOECRJCMVGFN-UHFFFAOYSA-N 0 0 406.482 5.801 40 5 HKBBRN Cc1ccc(NCc2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000409112118 560678098 /nfs/dbraw/zinc/67/80/98/560678098.db2.gz BMPWZXUCLYTTOC-UHFFFAOYSA-N 0 0 402.372 6.326 40 5 HKBBRN CCc1ccc(NCc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1 ZINC000409112285 559241672 /nfs/dbraw/zinc/24/16/72/559241672.db2.gz CCOKIPNKHUFCMY-UHFFFAOYSA-N 0 0 416.399 6.580 40 5 HKBBRN Cc1ccc(Cl)cc1NCc1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409112291 558938078 /nfs/dbraw/zinc/93/80/78/558938078.db2.gz BMRCWRCHZBDWTM-UHFFFAOYSA-N 0 0 413.817 5.869 40 5 HKBBRN Cc1ccc(Cl)cc1NCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000409112433 558937596 /nfs/dbraw/zinc/93/75/96/558937596.db2.gz GMDLVMWKGMQTHG-UHFFFAOYSA-N 0 0 417.292 6.401 40 5 HKBBRN COc1ccc(NCc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1 ZINC000409112479 558937572 /nfs/dbraw/zinc/93/75/72/558937572.db2.gz GKMVCODFVFMAKM-UHFFFAOYSA-N 0 0 418.371 6.027 40 5 HKBBRN Cc1ccc(NCc2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1C ZINC000409112534 558937603 /nfs/dbraw/zinc/93/76/03/558937603.db2.gz DFTRLYVJMJMOEO-UHFFFAOYSA-N 0 0 416.399 6.635 40 5 HKBBRN Cc1ccc(C)c(NCc2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000409112932 560678129 /nfs/dbraw/zinc/67/81/29/560678129.db2.gz HCMMWRUFLZRXNX-UHFFFAOYSA-N 0 0 416.399 6.635 40 5 HKBBRN Cc1cccc(NCc2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C ZINC000409112994 558938039 /nfs/dbraw/zinc/93/80/39/558938039.db2.gz DBFISEADKWDTHW-UHFFFAOYSA-N 0 0 416.399 6.635 40 5 HKBBRN COc1ccc(NCc2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000409112998 560678108 /nfs/dbraw/zinc/67/81/08/560678108.db2.gz GDCKAJSMLADXGX-UHFFFAOYSA-N 0 0 418.371 6.027 40 5 HKBBRN Cc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409113216 560678262 /nfs/dbraw/zinc/67/82/62/560678262.db2.gz ABFDUSXWXTVCLA-UHFFFAOYSA-N 0 0 417.292 6.401 40 5 HKBBRN Cc1c(Cl)cccc1NCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000409113476 558938505 /nfs/dbraw/zinc/93/85/05/558938505.db2.gz IJKZBLRDSXRFKV-UHFFFAOYSA-N 0 0 417.292 6.401 40 5 HKBBRN O=[N+]([O-])c1ccc(Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c([N+](=O)[O-])c1 ZINC000409113511 558938469 /nfs/dbraw/zinc/93/84/69/558938469.db2.gz GOLBWDPNTFRAGJ-UHFFFAOYSA-N 0 0 422.344 5.130 40 5 HKBBRN Cc1ccc(NCc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1 ZINC000409113692 560678350 /nfs/dbraw/zinc/67/83/50/560678350.db2.gz FWODQFKATDBANJ-UHFFFAOYSA-N 0 0 402.372 6.326 40 5 HKBBRN COc1cc(CNc2ccc(C)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409114327 560679992 /nfs/dbraw/zinc/67/99/92/560679992.db2.gz GZDGXXLAKYHOQN-UHFFFAOYSA-N 0 0 412.873 5.756 40 5 HKBBRN CCOc1cc(CNc2cc(C)ccc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409114768 560680139 /nfs/dbraw/zinc/68/01/39/560680139.db2.gz LBHQUHCRRPUKRL-UHFFFAOYSA-N 0 0 406.482 5.801 40 5 HKBBRN CCOc1ccc(NCc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 ZINC000409115026 558940165 /nfs/dbraw/zinc/94/01/65/558940165.db2.gz HVKFPPUNCFAFCW-UHFFFAOYSA-N 0 0 409.398 5.306 40 5 HKBBRN CCOc1cc(CNc2ccccc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409115055 558940519 /nfs/dbraw/zinc/94/05/19/558940519.db2.gz ICTLOXJCFZQTII-UHFFFAOYSA-N 0 0 412.873 5.838 40 5 HKBBRN Cc1ccc(NCc2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 ZINC000409115072 560680166 /nfs/dbraw/zinc/68/01/66/560680166.db2.gz IGOCPMUDOSPQLC-UHFFFAOYSA-N 0 0 417.292 6.401 40 5 HKBBRN O=[N+]([O-])c1ccc(COc2c(Cl)cc(CNc3ccccc3)cc2Cl)cc1 ZINC000409115154 558940546 /nfs/dbraw/zinc/94/05/46/558940546.db2.gz KOHNFDHFNVISEZ-UHFFFAOYSA-N 0 0 403.265 6.093 40 5 HKBBRN Cc1ccc(NCc2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)c1 ZINC000409115465 560680190 /nfs/dbraw/zinc/68/01/90/560680190.db2.gz JFROFKMKGCOBSD-UHFFFAOYSA-N 0 0 416.399 6.635 40 5 HKBBRN Cc1ccc(NCc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1Cl ZINC000409115474 558941725 /nfs/dbraw/zinc/94/17/25/558941725.db2.gz RSLVMXWJSZTMJJ-UHFFFAOYSA-N 0 0 413.817 5.869 40 5 HKBBRN Cc1ccc(NCc2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1Cl ZINC000409115561 560680202 /nfs/dbraw/zinc/68/02/02/560680202.db2.gz JSVTVLVEYIMECV-UHFFFAOYSA-N 0 0 413.817 5.869 40 5 HKBBRN CCOc1ccc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 ZINC000409115572 558941261 /nfs/dbraw/zinc/94/12/61/558941261.db2.gz MUUIGHRAXRYXJV-UHFFFAOYSA-N 0 0 408.454 5.193 40 5 HKBBRN Cc1ccc(C)c(NCc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)c1 ZINC000409115682 558941555 /nfs/dbraw/zinc/94/15/55/558941555.db2.gz SUQFNLFBZBSDKB-UHFFFAOYSA-N 0 0 416.399 6.635 40 5 HKBBRN COc1cc(CNc2ccccc2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409115730 558941842 /nfs/dbraw/zinc/94/18/42/558941842.db2.gz GWGQTCHQJNCPSY-UHFFFAOYSA-N 0 0 412.873 5.756 40 5 HKBBRN Cc1ccccc1NCc1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409115915 558941862 /nfs/dbraw/zinc/94/18/62/558941862.db2.gz IJMZIFPQVKAJKT-UHFFFAOYSA-N 0 0 402.372 6.326 40 5 HKBBRN CCOc1ccc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1 ZINC000409116721 558943407 /nfs/dbraw/zinc/94/34/07/558943407.db2.gz LNFPCWYTGJUDPV-UHFFFAOYSA-N 0 0 422.481 5.583 40 5 HKBBRN CCOc1cc(CNc2ccccc2CC)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409116797 558943584 /nfs/dbraw/zinc/94/35/84/558943584.db2.gz MNXHZKDAJOVPBX-UHFFFAOYSA-N 0 0 406.482 5.747 40 5 HKBBRN Cc1cccc(NCc2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000409116848 558943568 /nfs/dbraw/zinc/94/35/68/558943568.db2.gz MBOQDGKSJIXDFP-UHFFFAOYSA-N 0 0 402.372 6.326 40 5 HKBBRN COc1cc(CNc2cc(Cl)ccc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409116985 558944406 /nfs/dbraw/zinc/94/44/06/558944406.db2.gz MZVMFMMBJYSQQV-UHFFFAOYSA-N 0 0 412.873 5.756 40 5 HKBBRN O=[N+]([O-])c1ccc(COc2c(Cl)cc(Cl)cc2CNc2ccccc2)cc1 ZINC000409117335 558945140 /nfs/dbraw/zinc/94/51/40/558945140.db2.gz XLBZOGPKHGRGHU-UHFFFAOYSA-N 0 0 403.265 6.093 40 5 HKBBRN Cc1ccccc1NCc1cc(Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409117429 558945088 /nfs/dbraw/zinc/94/50/88/558945088.db2.gz RCNCXLYXNXRCHG-UHFFFAOYSA-N 0 0 417.292 6.401 40 5 HKBBRN CCOc1cc(CNc2ccc(CC)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409117964 560679143 /nfs/dbraw/zinc/67/91/43/560679143.db2.gz MHLAXDFNZGIGHV-UHFFFAOYSA-N 0 0 406.482 5.747 40 5 HKBBRN CCCN1C(=O)/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)c2ccccc21 ZINC000409117995 558945632 /nfs/dbraw/zinc/94/56/32/558945632.db2.gz MMOUWUHALQECHD-KQWNVCNZSA-N 0 0 414.461 5.471 40 5 HKBBRN COc1cc(CNc2cccc(Cl)c2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409118102 560679140 /nfs/dbraw/zinc/67/91/40/560679140.db2.gz OUVJIHUFVKFBPU-UHFFFAOYSA-N 0 0 412.873 5.756 40 5 HKBBRN CCOc1ccc(NCc2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000409118115 558945901 /nfs/dbraw/zinc/94/59/01/558945901.db2.gz OWGMCJDJVCELBZ-UHFFFAOYSA-N 0 0 409.398 5.306 40 5 HKBBRN Cc1c(Cl)cccc1NCc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000409118118 558946493 /nfs/dbraw/zinc/94/64/93/558946493.db2.gz OWZHVXUXKVTNHY-UHFFFAOYSA-N 0 0 413.817 5.869 40 5 HKBBRN COc1cc(CNc2ccc(C)c(Cl)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409118322 558947015 /nfs/dbraw/zinc/94/70/15/558947015.db2.gz PWDVZJFCTRFQFJ-UHFFFAOYSA-N 0 0 412.873 5.756 40 5 HKBBRN COc1cc(CNc2cccc(C)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409118702 560679360 /nfs/dbraw/zinc/67/93/60/560679360.db2.gz TZEYPMGQMJWIDP-UHFFFAOYSA-N 0 0 412.873 5.756 40 5 HKBBRN CCOc1ccc(NCc2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409118995 558946998 /nfs/dbraw/zinc/94/69/98/558946998.db2.gz QZGGPAFMHWSYMK-UHFFFAOYSA-N 0 0 412.873 5.838 40 5 HKBBRN Cc1cccc(NCc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)c1 ZINC000409119117 558947664 /nfs/dbraw/zinc/94/76/64/558947664.db2.gz VWPNRXIETKAUGC-UHFFFAOYSA-N 0 0 402.372 6.326 40 5 HKBBRN Cc1ccccc1NCc1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000409119224 558947753 /nfs/dbraw/zinc/94/77/53/558947753.db2.gz RTKCHIPPBKZXSH-UHFFFAOYSA-N 0 0 417.292 6.401 40 5 HKBBRN O=C1Nc2ccccc2/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000409119379 558947701 /nfs/dbraw/zinc/94/77/01/558947701.db2.gz SJDUVBBNTMUCFZ-WQRHYEAKSA-N 0 0 406.825 5.320 40 5 HKBBRN CCOc1ccc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 ZINC000409120827 558948983 /nfs/dbraw/zinc/94/89/83/558948983.db2.gz UXEHUJOMPZWWES-UHFFFAOYSA-N 0 0 412.873 5.838 40 5 HKBBRN Cc1ccc(NCc2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000409121244 560679680 /nfs/dbraw/zinc/67/96/80/560679680.db2.gz UCFQQNPEFCYBID-UHFFFAOYSA-N 0 0 417.292 6.401 40 5 HKBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000409121411 558951361 /nfs/dbraw/zinc/95/13/61/558951361.db2.gz ZPGPILWTJJGBTJ-QGOAFFKASA-N 0 0 408.841 5.436 40 5 HKBBRN O=[N+]([O-])c1ccc(COc2ccc(CNc3ccccc3)cc2Br)cc1 ZINC000409121762 560679820 /nfs/dbraw/zinc/67/98/20/560679820.db2.gz XTGYOCSBSIUKBH-UHFFFAOYSA-N 0 0 413.271 5.548 40 5 HKBBRN CCN1C(=O)/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)c2ccccc21 ZINC000409121947 560679826 /nfs/dbraw/zinc/67/98/26/560679826.db2.gz WAUKBYCBKGHNFW-JCMHNJIXSA-N 0 0 400.434 5.081 40 5 HKBBRN Cc1ccc(Cl)cc1NCc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000409122016 558951538 /nfs/dbraw/zinc/95/15/38/558951538.db2.gz YCWSRHWWUITNRX-UHFFFAOYSA-N 0 0 413.817 5.869 40 5 HKBBRN CCOc1cc(CNc2ccc(OC)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409122536 558955052 /nfs/dbraw/zinc/95/50/52/558955052.db2.gz ZGWKTJRQWWHXRI-UHFFFAOYSA-N 0 0 408.454 5.193 40 5 HKBBRN CCn1c(Sc2ccc([N+](=O)[O-])cc2C=O)nnc1-c1ccc(Cl)cc1Cl ZINC000409123749 558958829 /nfs/dbraw/zinc/95/88/29/558958829.db2.gz HTTHHTMEMSIICL-UHFFFAOYSA-N 0 0 423.281 5.144 40 5 HKBBRN O=Cc1cc([N+](=O)[O-])ccc1Sc1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000409125397 558967286 /nfs/dbraw/zinc/96/72/86/558967286.db2.gz DCQYFWHULKMDOU-UHFFFAOYSA-N 0 0 413.458 5.683 40 5 HKBBRN CCOc1cc(CNc2ccc(C)c(C)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409128223 560681347 /nfs/dbraw/zinc/68/13/47/560681347.db2.gz DYTDLCHPRQRWAT-UHFFFAOYSA-N 0 0 406.482 5.801 40 5 HKBBRN CCc1cccc(CC)c1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000409129027 558983565 /nfs/dbraw/zinc/98/35/65/558983565.db2.gz TYFGAIAYRSEWCL-HAVVHWLPSA-N 0 0 400.478 5.899 40 5 HKBBRN CCc1ccc(NCc2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000409130627 560681698 /nfs/dbraw/zinc/68/16/98/560681698.db2.gz IOCKDGKOFBTMCW-UHFFFAOYSA-N 0 0 416.399 6.580 40 5 HKBBRN O=C1S/C(=C/c2c3ccccc3cc3ccccc32)C(=O)N1CC1CCCCC1 ZINC000409133701 560682075 /nfs/dbraw/zinc/68/20/75/560682075.db2.gz MMZOEPRPADWYQL-HZHRSRAPSA-N 0 0 401.531 6.610 40 5 HKBBRN O=C1S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1CC1CCCCC1 ZINC000409135471 560682354 /nfs/dbraw/zinc/68/23/54/560682354.db2.gz RGTXPPVTWQIWJB-UNOMPAQXSA-N 0 0 412.467 5.471 40 5 HKBBRN Cc1ccc(NCc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1C ZINC000409137468 560682652 /nfs/dbraw/zinc/68/26/52/560682652.db2.gz XMIWFJIGXOXJJL-UHFFFAOYSA-N 0 0 416.399 6.635 40 5 HKBBRN O=C1S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1CC1CCCCC1 ZINC000409137823 559241669 /nfs/dbraw/zinc/24/16/69/559241669.db2.gz YZUTYOCMUOSAQI-UNOMPAQXSA-N 0 0 412.467 5.471 40 5 HKBBRN CCn1c(Sc2ccc(C=O)cc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1Cl ZINC000409141612 560683465 /nfs/dbraw/zinc/68/34/65/560683465.db2.gz WAVPPIPBQWUQDV-UHFFFAOYSA-N 0 0 423.281 5.144 40 5 HKBBRN O=Cc1ccc(Sc2nc(-c3ccccc3)cc(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000409142420 560683486 /nfs/dbraw/zinc/68/34/86/560683486.db2.gz LGQLQDCFSSQMRC-UHFFFAOYSA-N 0 0 413.458 5.683 40 5 HKBBRN O=C1S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1CC1CCCCC1 ZINC000409144764 560684419 /nfs/dbraw/zinc/68/44/19/560684419.db2.gz GLTLHYYDYAAJDY-XDHOZWIPSA-N 0 0 412.467 5.471 40 5 HKBBRN O=C1S/C(=C/c2c3ccccc3cc3ccccc32)C(=O)N1CCCc1ccccc1 ZINC000409146377 558891128 /nfs/dbraw/zinc/89/11/28/558891128.db2.gz SOCVCLCWMSABPU-XIEYBQDHSA-N 0 0 423.537 6.662 40 5 HKBBRN O=C1S/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1CC1CCCCC1 ZINC000409147824 558891818 /nfs/dbraw/zinc/89/18/18/558891818.db2.gz WAYGAQUUZNGLPS-CPNJWEJPSA-N 0 0 411.483 5.002 40 5 HKBBRN O=C(OCc1cccc([N+](=O)[O-])c1)C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000409173007 560686749 /nfs/dbraw/zinc/68/67/49/560686749.db2.gz KGIAOMLAKHTMGG-UHFFFAOYSA-N 0 0 423.468 5.673 40 5 HKBBRN O=[N+]([O-])c1ccc(COc2ccc(Cl)cc2CNc2ccc(Cl)cc2)cc1 ZINC000409174731 558995241 /nfs/dbraw/zinc/99/52/41/558995241.db2.gz UKWQQEKVJJVDFI-UHFFFAOYSA-N 0 0 403.265 6.093 40 5 HKBBRN CCC(=O)Nc1cccc(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000409176094 560687179 /nfs/dbraw/zinc/68/71/79/560687179.db2.gz HHALDAOGAHRBEM-UHFFFAOYSA-N 0 0 420.421 5.093 40 5 HKBBRN O=C(OCc1ccccc1[N+](=O)[O-])c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000409176655 558998797 /nfs/dbraw/zinc/99/87/97/558998797.db2.gz UMOHZSITOWJALW-UHFFFAOYSA-N 0 0 418.836 5.820 40 5 HKBBRN Cc1ccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000409176835 560687300 /nfs/dbraw/zinc/68/73/00/560687300.db2.gz YZNMHKGSFUAXLB-NRFANRHFSA-N 0 0 409.825 5.338 40 5 HKBBRN Cc1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000409176836 560687260 /nfs/dbraw/zinc/68/72/60/560687260.db2.gz YZNMHKGSFUAXLB-OAQYLSRUSA-N 0 0 409.825 5.338 40 5 HKBBRN CCC(=O)Nc1cccc(C(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c1 ZINC000409176892 558998883 /nfs/dbraw/zinc/99/88/83/558998883.db2.gz ADZFEBVDGHQXER-UHFFFAOYSA-N 0 0 420.421 5.093 40 5 HKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(Cl)cc1Cl ZINC000409177424 560687393 /nfs/dbraw/zinc/68/73/93/560687393.db2.gz AKCYYDBPXULDIJ-UHFFFAOYSA-N 0 0 418.232 6.051 40 5 HKBBRN CC(C)(C)c1ccc(C(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000409177949 559243661 /nfs/dbraw/zinc/24/36/61/559243661.db2.gz HOYVRLGCKGSWPY-UHFFFAOYSA-N 0 0 405.450 6.042 40 5 HKBBRN O=C(OC(c1ccccc1)c1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl ZINC000409178141 560687500 /nfs/dbraw/zinc/68/75/00/560687500.db2.gz IZSWWLDZDDTUJY-UHFFFAOYSA-N 0 0 412.785 5.103 40 5 HKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cc2ccccc2cc1O ZINC000409178165 560687508 /nfs/dbraw/zinc/68/75/08/560687508.db2.gz FEFCCDCNIWGCGF-UHFFFAOYSA-N 0 0 415.401 5.603 40 5 HKBBRN O=[N+]([O-])c1ccc(COc2ccc(CNc3ccccc3Cl)cc2Cl)cc1 ZINC000409178507 560687597 /nfs/dbraw/zinc/68/75/97/560687597.db2.gz IZWGNWMYNXGBLC-UHFFFAOYSA-N 0 0 403.265 6.093 40 5 HKBBRN O=C(COC(=O)c1cccc(Oc2c(Cl)cccc2[N+](=O)[O-])c1)c1cccs1 ZINC000409178565 560687575 /nfs/dbraw/zinc/68/75/75/560687575.db2.gz MTNJOCSIHCFKHC-UHFFFAOYSA-N 0 0 417.826 5.142 40 5 HKBBRN Cc1cc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000409178683 559243651 /nfs/dbraw/zinc/24/36/51/559243651.db2.gz NVTSVABQMWZCEA-NRFANRHFSA-N 0 0 409.825 5.338 40 5 HKBBRN Cc1cc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000409178686 558999795 /nfs/dbraw/zinc/99/97/95/558999795.db2.gz NVTSVABQMWZCEA-OAQYLSRUSA-N 0 0 409.825 5.338 40 5 HKBBRN CCC(=O)Nc1ccccc1C(=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409178795 558999756 /nfs/dbraw/zinc/99/97/56/558999756.db2.gz OUDLPPDZZHTMGZ-UHFFFAOYSA-N 0 0 420.421 5.093 40 5 HKBBRN O=[N+]([O-])c1ccc(COc2ccc(CNc3ccc(Cl)cc3)cc2Cl)cc1 ZINC000409179223 559000122 /nfs/dbraw/zinc/00/01/22/559000122.db2.gz PYUADVCWQXONRT-UHFFFAOYSA-N 0 0 403.265 6.093 40 5 HKBBRN O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409179284 558999783 /nfs/dbraw/zinc/99/97/83/558999783.db2.gz QWFKSHNQTPMYLD-UHFFFAOYSA-N 0 0 423.538 5.188 40 5 HKBBRN O=C(OCc1ccccc1[N+](=O)[O-])c1cc(-c2ccccc2Cl)nc2ccccc21 ZINC000409179461 559001581 /nfs/dbraw/zinc/00/15/81/559001581.db2.gz OMBFUJXAEPQWAW-UHFFFAOYSA-N 0 0 418.836 5.820 40 5 HKBBRN CCOc1cc(CNc2ccccc2Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409179534 559001589 /nfs/dbraw/zinc/00/15/89/559001589.db2.gz RWOYSNQQPCGEQE-UHFFFAOYSA-N 0 0 412.873 5.838 40 5 HKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Cl)cc1Cl ZINC000409179632 559001542 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559015279 /nfs/dbraw/zinc/01/52/79/559015279.db2.gz VXUQAJGRTSHTNY-UHFFFAOYSA-N 0 0 416.836 5.587 40 5 HKBBRN Cc1s/c(=N\C(=O)c2cc([N+](=O)[O-])ccc2Cl)n(C)c1-c1ccc(Cl)cc1 ZINC000409197327 559244305 /nfs/dbraw/zinc/24/43/05/559244305.db2.gz BRKRUMRPTANLIN-UZYVYHOESA-N 0 0 422.293 5.018 40 5 HKBBRN Cc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2Cl)n(C)c1-c1ccc(Cl)cc1 ZINC000409197658 559244267 /nfs/dbraw/zinc/24/42/67/559244267.db2.gz LMZSQUSAHDDVNX-UZYVYHOESA-N 0 0 422.293 5.018 40 5 HKBBRN Cn1c(-c2ccccc2)c(-c2ccccc2)s/c1=N\C(=O)c1cccc([N+](=O)[O-])c1 ZINC000409198289 559016612 /nfs/dbraw/zinc/01/66/12/559016612.db2.gz BRHFGSZIKNDUCJ-VHXPQNKSSA-N 0 0 415.474 5.070 40 5 HKBBRN CCCCOC(=O)CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc32)C1=O ZINC000409199093 559016737 /nfs/dbraw/zinc/01/67/37/559016737.db2.gz AZSNECRHZBPBEO-KGENOOAVSA-N 0 0 419.502 5.373 40 5 HKBBRN Cn1c(-c2ccccc2)c(-c2ccccc2)s/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000409199508 560692231 /nfs/dbraw/zinc/69/22/31/560692231.db2.gz 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TURMIHFDNYLGGO-UDWIEESQSA-N 0 0 421.478 5.044 40 5 HKBBRN COc1cc(-c2nc3ccccc3s2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409248388 559050364 /nfs/dbraw/zinc/05/03/64/559050364.db2.gz GBHVGTXFLOOBGY-UHFFFAOYSA-N 0 0 423.406 5.581 40 5 HKBBRN Cc1cccc(C(C)C)c1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000409252175 559050482 /nfs/dbraw/zinc/05/04/82/559050482.db2.gz CGSYMLVIKOXZDK-XQNSMLJCSA-N 0 0 400.478 6.206 40 5 HKBBRN CCOc1cc(-c2nc3ccccc3s2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000409255194 560703132 /nfs/dbraw/zinc/70/31/32/560703132.db2.gz HIRDGMYQQWTUPZ-UHFFFAOYSA-N 0 0 420.446 5.489 40 5 HKBBRN O=C(Nc1ccc(Cl)c(Cl)c1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000409259683 559050563 /nfs/dbraw/zinc/05/05/63/559050563.db2.gz CLUTVDQHMYYGRO-LDADJPATSA-N 0 0 413.260 6.081 40 5 HKBBRN COc1cccc(-c2nc3ccccc3s2)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409261949 560704525 /nfs/dbraw/zinc/70/45/25/560704525.db2.gz GGEXCMIAGOQJCN-UHFFFAOYSA-N 0 0 423.406 5.581 40 5 HKBBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccccc1-c1nc2ccccc2s1 ZINC000409262302 559049380 /nfs/dbraw/zinc/04/93/80/559049380.db2.gz GPNZPDLCMWKHSG-UHFFFAOYSA-N 0 0 416.380 6.683 40 5 HKBBRN COc1ccc(-c2nc3ccccc3s2)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409267601 559050644 /nfs/dbraw/zinc/05/06/44/559050644.db2.gz OLPBFSUAPAFBMG-UHFFFAOYSA-N 0 0 423.406 5.581 40 5 HKBBRN O=C(Nc1ccc(C(F)(F)F)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000409267741 559050651 /nfs/dbraw/zinc/05/06/51/559050651.db2.gz OUACFWRMPCVEHS-XSFVSMFZSA-N 0 0 412.367 5.793 40 5 HKBBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1cccc(-c2nc3ccccc3s2)c1 ZINC000409268616 559050679 /nfs/dbraw/zinc/05/06/79/559050679.db2.gz WPZQAECGLZRTFI-UHFFFAOYSA-N 0 0 416.380 6.683 40 5 HKBBRN CCOc1cc(-c2nc3ccccc3s2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000409272404 559247223 /nfs/dbraw/zinc/24/72/23/559247223.db2.gz PZSISQMINRYECD-UHFFFAOYSA-N 0 0 420.446 5.489 40 5 HKBBRN CN1C(=O)S/C(=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O ZINC000409341861 559064438 /nfs/dbraw/zinc/06/44/38/559064438.db2.gz FYJWOBIEANSMJM-OVCLIPMQSA-N 0 0 424.356 5.072 40 5 HKBBRN CCN1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O ZINC000409345558 560714633 /nfs/dbraw/zinc/71/46/33/560714633.db2.gz MCMWCOMWQGPHJA-YBEGLDIGSA-N 0 0 420.899 5.456 40 5 HKBBRN COc1ccc(-c2ccc(/C=C3\SC(=O)N(c4ccccc4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409346312 559248062 /nfs/dbraw/zinc/24/80/62/559248062.db2.gz JYDAWDSMNSCYIF-UNOMPAQXSA-N 0 0 422.418 5.104 40 5 HKBBRN CN1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O ZINC000409351085 560713759 /nfs/dbraw/zinc/71/37/59/560713759.db2.gz WESJZBAXZXNDDO-DHDCSXOGSA-N 0 0 406.872 5.066 40 5 HKBBRN CN1C(=O)S/C(=C\c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O ZINC000409353713 560714210 /nfs/dbraw/zinc/71/42/10/560714210.db2.gz QBRRXUQSFKWDHY-OVCLIPMQSA-N 0 0 424.356 5.072 40 5 HKBBRN Cc1cc(-c2ccc(/C=C3/SC(=O)N(c4ccccc4)C3=O)o2)c([N+](=O)[O-])cc1C ZINC000409358688 559069825 /nfs/dbraw/zinc/06/98/25/559069825.db2.gz NEWWBHAZNPZWQC-UDWIEESQSA-N 0 0 420.446 5.713 40 5 HKBBRN CCCN1C(=O)S/C(=C/c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1=O ZINC000409358879 559069828 /nfs/dbraw/zinc/06/98/28/559069828.db2.gz MLVZTABAXXGMSP-PDGQHHTCSA-N 0 0 414.508 5.501 40 5 HKBBRN O=[N+]([O-])c1ccc(COc2ccccc2-c2csc(Nc3ccccc3)n2)cc1 ZINC000409369533 571308252 /nfs/dbraw/zinc/30/82/52/571308252.db2.gz CMXHEZHAXZCMLB-UHFFFAOYSA-N 0 0 403.463 6.041 40 5 HKBBRN Cc1ccccc1Nc1nc(-c2ccccc2OCc2ccc([N+](=O)[O-])cc2)cs1 ZINC000409378587 571308951 /nfs/dbraw/zinc/30/89/51/571308951.db2.gz QLCTXGRTBGXECD-UHFFFAOYSA-N 0 0 417.490 6.349 40 5 HKBBRN Cc1cc(-c2ccc(Cl)cc2)nc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 ZINC000409384843 559249465 /nfs/dbraw/zinc/24/94/65/559249465.db2.gz FIXBWUJEWVDYDG-UHFFFAOYSA-N 0 0 402.819 5.073 40 5 HKBBRN Cc1ccc(-c2cc(C(F)(F)F)nc(Sc3ccc([N+](=O)[O-])cc3C=O)n2)cc1 ZINC000409385751 560719698 /nfs/dbraw/zinc/71/96/98/560719698.db2.gz CMMVLYLISMZIOR-UHFFFAOYSA-N 0 0 419.384 5.343 40 5 HKBBRN Cc1ccc(-c2cc(C(F)(F)F)nc(Sc3ccc(C=O)cc3[N+](=O)[O-])n2)cc1 ZINC000409388043 559071951 /nfs/dbraw/zinc/07/19/51/559071951.db2.gz JZUNFOMUPDZTNR-UHFFFAOYSA-N 0 0 419.384 5.343 40 5 HKBBRN Cc1cc2nc3s/c(=C\c4c5ccccc5cc5ccccc54)c(=O)n3c2cc1C ZINC000409393073 560719278 /nfs/dbraw/zinc/71/92/78/560719278.db2.gz OXALZNLCOOPSLW-OYKKKHCWSA-N 0 0 406.510 5.380 40 5 HKBBRN O=C(CSc1ccc2ccccc2c1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000409411913 559075666 /nfs/dbraw/zinc/07/56/66/559075666.db2.gz NKSLANAMMJOTEJ-UHFFFAOYSA-N 0 0 407.278 5.786 40 5 HKBBRN O=C(CSc1nc2ccccc2s1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000409412246 560721339 /nfs/dbraw/zinc/72/13/39/560721339.db2.gz BRRUHRXWGIWCNP-UHFFFAOYSA-N 0 0 414.295 5.242 40 5 HKBBRN O=[N+]([O-])c1ccc(-c2csc(=NCc3ccccc3)n2Cc2ccccc2)cc1 ZINC000584905936 559078604 /nfs/dbraw/zinc/07/86/04/559078604.db2.gz NTSIICWSUCLSHE-UHFFFAOYSA-N 0 0 401.491 5.274 40 5 HKBBRN O=[N+]([O-])c1ccccc1NCCn1c(-c2ccccc2)csc1=Nc1ccccc1 ZINC000584906146 559167729 /nfs/dbraw/zinc/16/77/29/559167729.db2.gz OHWRWINJYKKNQZ-UHFFFAOYSA-N 0 0 416.506 5.469 40 5 HKBBRN O=c1c2ccc(Oc3ccccc3[N+](=O)[O-])c3cccc(c4nc5ccccc5n41)c32 ZINC000588229343 569061170 /nfs/dbraw/zinc/06/11/70/569061170.db2.gz FATIDGCVQAYYJJ-UHFFFAOYSA-N 0 0 407.385 5.292 40 5 HKBBRN